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Cristalogra ia

Rede crist logr ic ou de Br v is

4~a1 + ~a2 ou [4, 1, 0]


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<latexit sha1_base64="9pqg3wmbGdXSPlg41BATlQbppbs=">AAAB+3icdVDJSgNBEO1xjXEbI3jx0hgEQRh6snsL8eIxAbNAMoSeTidp0rPQ3RMMQ37FiwdF9Ogf+AXevPgtdhZBRR8UPN6roqqeG3ImFULvxsrq2vrGZmIrub2zu7dvHqQaMogEoXUS8EC0XCwpZz6tK6Y4bYWCYs/ltOmOLmd+c0yFZIF/rSYhdTw88FmfEay01DVTuc6YEoi79vmSZLpmGlk5O1+ysxBZBVTMZkqaXNiomEfQttAc6fJR7YM9V16rXfOt0wtI5FFfEY6lbNsoVE6MhWKE02myE0kaYjLCA9rW1McelU48v30KT7XSg/1A6PIVnKvfJ2LsSTnxXN3pYTWUv72Z+JfXjlS/5MTMDyNFfbJY1I84VAGcBQF7TFCi+EQTTATTt0IyxAITpeNK6hC+PoX/k0bGsgtWvqbTqIAFEuAYnIAzYIMiKIMrUAV1QMANuAX34MGYGnfGo/G0aF0xljOH4AeMl0891ZcC</latexit>

~a2
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a1⃗ e a2⃗ não


~a1
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podem ser
colineares e a3⃗ não
pode estar no
A duas ou três dimensões, a invariância de translação é mais complicada… plano de inido
~ por a1⃗ e a2⃗
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~ = n1~a1 + n2~a2 + n3~a3 (= n1~a + n2~b + n3~c) (= u~a + v~b + w~c)


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<latexit sha1_base64="xTrSarw4w03EhtniPLAHrTfbfu4=">AAACE3icbZC7SgNBFIZn4y3G26pgYzMYBFEIuwleGiHExjIRc4EkLLOTSTJkdnaZmQ2EJe9g42PY2lgoktbGzsZncbLZQhN/GPj4zzmcOb8bMCqVZX0ZqaXlldW19HpmY3Nre8fc3atJPxSYVLHPfNFwkSSMclJVVDHSCARBnstI3R3cTOv1IRGS+vxejQLS9lCP0y7FSGnLMU9bQ4Lh3TV37JiQY59xJ59wXnMh4YJjZq2cFQsugp1AtnhQ+aZPpUnZMT9bHR+HHuEKMyRl07YC1Y6QUBQzMs60QkkChAeoR5oaOfKIbEfxTWN4rJ0O7PpCP65g7P6eiJAn5chzdaeHVF/O16bmf7VmqLpX7YjyIFSE49mibsig8uE0INihgmDFRhoQFlT/FeI+EggrHWNGh2DPn7wItXzOvsidV3QaJTBTGhyCI3ACbHAJiuAWlEEVYPAAnsEreDMejRfj3ZjMWlNGMrMP/sj4+AFAIJ+W</latexit>

T̂ (R) R

Conjunto dos pontos obtidos pela combinação linear de três vetores linearmente independentes
Rede de Bravais
~ = n1~a1 + n2~a2 + n3~a3
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R n1 , n2 , n3 2 Z
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Cristalogra ia
Rede crist logr ic ou de Br v is

• Os pontos de uma rede são indistinguíveis


• O espaço à volta de cada ponto é exatamente o mesmo
• Um observador colocado num ponto da rede não consegue distinguir o ponto em
que está…

Estes pontos NÃO são equivalentes

NÃO é uma rede cristalográ ca…


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Cristalogra ia
Motivo

= +

É um motivo colocado em
Estes vetores geram os nós cada um dos nós da rede
de uma rede de Bravais

Estrutura = Rede + Motivo


f
Cristalogra ia
Estrutura
Estrutur crist logr ic
Célula unitária
!"#$%&'
Estrutura Célula unitária!()%*!+''
!"#$%&' !()%*!+''
Motivo

Rede quadrada
de lado a

>-%$*?*"+/+"+(0+*
Pontos de referência '&%%)0+*1-)(%$
>-%$*?*"+/+"+(0+*
para a rede As posições dos átomos do motivo
'&%%)0+*1-)(%$ são dadas em coordenadas
cristalográ ica
Átomo grandefracionárias dos vetores
cinzento claro da rede…
posição =
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Cristalogra ia
Vetores fund ment is primitivos de um rede crist logr ic

Não funciona! Não se


consegue obter todos os
~a1
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~a2 pontos do padrão…


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~a2
<latexit sha1_base64="9chi6rtISod/z3Lo935c20fdieo=">AAAB73icdVDLSsNAFJ34rPVVFdy4GSyCq5CENm13pW5ctmAf0IYymU7aoZNJnJkUSuhPuHGhiFsX/oVf4M6N3+K0VVDRAxcO59zLvff4MaNSWdabsbK6tr6xmdnKbu/s7u3nDg5bMkoEJk0csUh0fCQJo5w0FVWMdGJBUOgz0vbHF3O/PSFC0ohfqWlMvBANOQ0oRkpLnd6EYIj6Tj+Xt0zHqdgVF1qm65aLdkkTu2wVCkVom9YC+epx450+117q/dxrbxDhJCRcYYak7NpWrLwUCUUxI7NsL5EkRniMhqSrKUchkV66uHcGz7QygEEkdHEFF+r3iRSFUk5DX3eGSI3kb28u/uV1ExWUvZTyOFGE4+WiIGFQRXD+PBxQQbBiU00QFlTfCvEICYSVjiirQ/j6FP5PWo5pu2axodOogSUy4AScgnNggxKogktQB02AAQM34A7cG9fGrfFgPC5bV4zPmSPwA8bTB6Wxk3E=</latexit>

É um conjunto de
~a1
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~a2 vetores fundamentais


<latexit sha1_base64="9chi6rtISod/z3Lo935c20fdieo=">AAAB73icdVDLSsNAFJ34rPVVFdy4GSyCq5CENm13pW5ctmAf0IYymU7aoZNJnJkUSuhPuHGhiFsX/oVf4M6N3+K0VVDRAxcO59zLvff4MaNSWdabsbK6tr6xmdnKbu/s7u3nDg5bMkoEJk0csUh0fCQJo5w0FVWMdGJBUOgz0vbHF3O/PSFC0ohfqWlMvBANOQ0oRkpLnd6EYIj6Tj+Xt0zHqdgVF1qm65aLdkkTu2wVCkVom9YC+epx450+117q/dxrbxDhJCRcYYak7NpWrLwUCUUxI7NsL5EkRniMhqSrKUchkV66uHcGz7QygEEkdHEFF+r3iRSFUk5DX3eGSI3kb28u/uV1ExWUvZTyOFGE4+WiIGFQRXD+PBxQQbBiU00QFlTfCvEICYSVjiirQ/j6FP5PWo5pu2axodOogSUy4AScgnNggxKogktQB02AAQM34A7cG9fGrfFgPC5bV4zPmSPwA8bTB6Wxk3E=</latexit>

~a1
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~a2
<latexit sha1_base64="9chi6rtISod/z3Lo935c20fdieo=">AAAB73icdVDLSsNAFJ34rPVVFdy4GSyCq5CENm13pW5ctmAf0IYymU7aoZNJnJkUSuhPuHGhiFsX/oVf4M6N3+K0VVDRAxcO59zLvff4MaNSWdabsbK6tr6xmdnKbu/s7u3nDg5bMkoEJk0csUh0fCQJo5w0FVWMdGJBUOgz0vbHF3O/PSFC0ohfqWlMvBANOQ0oRkpLnd6EYIj6Tj+Xt0zHqdgVF1qm65aLdkkTu2wVCkVom9YC+epx450+117q/dxrbxDhJCRcYYak7NpWrLwUCUUxI7NsL5EkRniMhqSrKUchkV66uHcGz7QygEEkdHEFF+r3iRSFUk5DX3eGSI3kb28u/uV1ExWUvZTyOFGE4+WiIGFQRXD+PBxQQbBiU00QFlTfCvEICYSVjiirQ/j6FP5PWo5pu2axodOogSUy4AScgnNggxKogktQB02AAQM34A7cG9fGrfFgPC5bV4zPmSPwA8bTB6Wxk3E=</latexit>

não primitivos…
~a1
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Os vetores fundamentais primitivos são um conjunto de vetores que permitem gerar todos os pontos da rede

A escolha dos vetores fundamentais primitivos não é única!


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Cristalogra ia
Célul unit ri

Uma célula unitária é uma porção da


rede que permite gerar toda a rede,
sem deixar qualquer espaço vazio,
por translações na rede

Se a célula unitária contiver apenas


um nó da rede, diz-se que é uma
célula unitária primitiva

Neste exemplo as células unitárias


contêm dois átomos, mas apenas um
nó da rede… são primitivas!
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Cristalogra ia
Célul unit ri

Célula unitária
não primitiva
~a1
<latexit sha1_base64="74BNOitUO/m3elhM55WNtQJ/G4s=">AAAB73icdVDLSgMxFM3UV62vquDGTbAIroZMrbbuSt24bME+oB1KJs20oZnMmGQKZehPuHGhiFsX/oVf4M6N32L6EFT0wIXDOfdy7z1exJnSCL1bqaXlldW19HpmY3Nreye7u9dQYSwJrZOQh7LlYUU5E7Sumea0FUmKA4/Tpje8nPrNEZWKheJajyPqBrgvmM8I1kZqdUaUQNx1utkcskuFIjotQGSjGQzJOwWUv4DOQsmVD2of7KXyWu1m3zq9kMQBFZpwrFTbQZF2Eyw1I5xOMp1Y0QiTIe7TtqECB1S5yezeCTw2Sg/6oTQlNJyp3ycSHCg1DjzTGWA9UL+9qfiX1461X3ITJqJYU0Hmi/yYQx3C6fOwxyQlmo8NwUQycyskAywx0SaijAnh61P4P2nkbefcPquZNCpgjjQ4BEfgBDigCMrgClRBHRDAwS24Bw/WjXVnPVpP89aUtZjZBz9gPX8CamCTSA==</latexit>

~a2
<latexit sha1_base64="9chi6rtISod/z3Lo935c20fdieo=">AAAB73icdVDLSsNAFJ34rPVVFdy4GSyCq5CENm13pW5ctmAf0IYymU7aoZNJnJkUSuhPuHGhiFsX/oVf4M6N3+K0VVDRAxcO59zLvff4MaNSWdabsbK6tr6xmdnKbu/s7u3nDg5bMkoEJk0csUh0fCQJo5w0FVWMdGJBUOgz0vbHF3O/PSFC0ohfqWlMvBANOQ0oRkpLnd6EYIj6Tj+Xt0zHqdgVF1qm65aLdkkTu2wVCkVom9YC+epx450+117q/dxrbxDhJCRcYYak7NpWrLwUCUUxI7NsL5EkRniMhqSrKUchkV66uHcGz7QygEEkdHEFF+r3iRSFUk5DX3eGSI3kb28u/uV1ExWUvZTyOFGE4+WiIGFQRXD+PBxQQbBiU00QFlTfCvEICYSVjiirQ/j6FP5PWo5pu2axodOogSUy4AScgnNggxKogktQB02AAQM34A7cG9fGrfFgPC5bV4zPmSPwA8bTB6Wxk3E=</latexit>

~a2
<latexit sha1_base64="9chi6rtISod/z3Lo935c20fdieo=">AAAB73icdVDLSsNAFJ34rPVVFdy4GSyCq5CENm13pW5ctmAf0IYymU7aoZNJnJkUSuhPuHGhiFsX/oVf4M6N3+K0VVDRAxcO59zLvff4MaNSWdabsbK6tr6xmdnKbu/s7u3nDg5bMkoEJk0csUh0fCQJo5w0FVWMdGJBUOgz0vbHF3O/PSFC0ohfqWlMvBANOQ0oRkpLnd6EYIj6Tj+Xt0zHqdgVF1qm65aLdkkTu2wVCkVom9YC+epx450+117q/dxrbxDhJCRcYYak7NpWrLwUCUUxI7NsL5EkRniMhqSrKUchkV66uHcGz7QygEEkdHEFF+r3iRSFUk5DX3eGSI3kb28u/uV1ExWUvZTyOFGE4+WiIGFQRXD+PBxQQbBiU00QFlTfCvEICYSVjiirQ/j6FP5PWo5pu2axodOogSUy4AScgnNggxKogktQB02AAQM34A7cG9fGrfFgPC5bV4zPmSPwA8bTB6Wxk3E=</latexit>

~a1
<latexit sha1_base64="74BNOitUO/m3elhM55WNtQJ/G4s=">AAAB73icdVDLSgMxFM3UV62vquDGTbAIroZMrbbuSt24bME+oB1KJs20oZnMmGQKZehPuHGhiFsX/oVf4M6N32L6EFT0wIXDOfdy7z1exJnSCL1bqaXlldW19HpmY3Nreye7u9dQYSwJrZOQh7LlYUU5E7Sumea0FUmKA4/Tpje8nPrNEZWKheJajyPqBrgvmM8I1kZqdUaUQNx1utkcskuFIjotQGSjGQzJOwWUv4DOQsmVD2of7KXyWu1m3zq9kMQBFZpwrFTbQZF2Eyw1I5xOMp1Y0QiTIe7TtqECB1S5yezeCTw2Sg/6oTQlNJyp3ycSHCg1DjzTGWA9UL+9qfiX1461X3ITJqJYU0Hmi/yYQx3C6fOwxyQlmo8NwUQycyskAywx0SaijAnh61P4P2nkbefcPquZNCpgjjQ4BEfgBDigCMrgClRBHRDAwS24Bw/WjXVnPVpP89aUtZjZBz9gPX8CamCTSA==</latexit>

~a2
<latexit sha1_base64="9chi6rtISod/z3Lo935c20fdieo=">AAAB73icdVDLSsNAFJ34rPVVFdy4GSyCq5CENm13pW5ctmAf0IYymU7aoZNJnJkUSuhPuHGhiFsX/oVf4M6N3+K0VVDRAxcO59zLvff4MaNSWdabsbK6tr6xmdnKbu/s7u3nDg5bMkoEJk0csUh0fCQJo5w0FVWMdGJBUOgz0vbHF3O/PSFC0ohfqWlMvBANOQ0oRkpLnd6EYIj6Tj+Xt0zHqdgVF1qm65aLdkkTu2wVCkVom9YC+epx450+117q/dxrbxDhJCRcYYak7NpWrLwUCUUxI7NsL5EkRniMhqSrKUchkV66uHcGz7QygEEkdHEFF+r3iRSFUk5DX3eGSI3kb28u/uV1ExWUvZTyOFGE4+WiIGFQRXD+PBxQQbBiU00QFlTfCvEICYSVjiirQ/j6FP5PWo5pu2axodOogSUy4AScgnNggxKogktQB02AAQM34A7cG9fGrfFgPC5bV4zPmSPwA8bTB6Wxk3E=</latexit>

~a1
<latexit sha1_base64="74BNOitUO/m3elhM55WNtQJ/G4s=">AAAB73icdVDLSgMxFM3UV62vquDGTbAIroZMrbbuSt24bME+oB1KJs20oZnMmGQKZehPuHGhiFsX/oVf4M6N32L6EFT0wIXDOfdy7z1exJnSCL1bqaXlldW19HpmY3Nreye7u9dQYSwJrZOQh7LlYUU5E7Sumea0FUmKA4/Tpje8nPrNEZWKheJajyPqBrgvmM8I1kZqdUaUQNx1utkcskuFIjotQGSjGQzJOwWUv4DOQsmVD2of7KXyWu1m3zq9kMQBFZpwrFTbQZF2Eyw1I5xOMp1Y0QiTIe7TtqECB1S5yezeCTw2Sg/6oTQlNJyp3ycSHCg1DjzTGWA9UL+9qfiX1461X3ITJqJYU0Hmi/yYQx3C6fOwxyQlmo8NwUQycyskAywx0SaijAnh61P4P2nkbefcPquZNCpgjjQ4BEfgBDigCMrgClRBHRDAwS24Bw/WjXVnPVpP89aUtZjZBz9gPX8CamCTSA==</latexit>

~a2
<latexit sha1_base64="9chi6rtISod/z3Lo935c20fdieo=">AAAB73icdVDLSsNAFJ34rPVVFdy4GSyCq5CENm13pW5ctmAf0IYymU7aoZNJnJkUSuhPuHGhiFsX/oVf4M6N3+K0VVDRAxcO59zLvff4MaNSWdabsbK6tr6xmdnKbu/s7u3nDg5bMkoEJk0csUh0fCQJo5w0FVWMdGJBUOgz0vbHF3O/PSFC0ohfqWlMvBANOQ0oRkpLnd6EYIj6Tj+Xt0zHqdgVF1qm65aLdkkTu2wVCkVom9YC+epx450+117q/dxrbxDhJCRcYYak7NpWrLwUCUUxI7NsL5EkRniMhqSrKUchkV66uHcGz7QygEEkdHEFF+r3iRSFUk5DX3eGSI3kb28u/uV1ExWUvZTyOFGE4+WiIGFQRXD+PBxQQbBiU00QFlTfCvEICYSVjiirQ/j6FP5PWo5pu2axodOogSUy4AScgnNggxKogktQB02AAQM34A7cG9fGrfFgPC5bV4zPmSPwA8bTB6Wxk3E=</latexit>

~a1
<latexit sha1_base64="74BNOitUO/m3elhM55WNtQJ/G4s=">AAAB73icdVDLSgMxFM3UV62vquDGTbAIroZMrbbuSt24bME+oB1KJs20oZnMmGQKZehPuHGhiFsX/oVf4M6N32L6EFT0wIXDOfdy7z1exJnSCL1bqaXlldW19HpmY3Nreye7u9dQYSwJrZOQh7LlYUU5E7Sumea0FUmKA4/Tpje8nPrNEZWKheJajyPqBrgvmM8I1kZqdUaUQNx1utkcskuFIjotQGSjGQzJOwWUv4DOQsmVD2of7KXyWu1m3zq9kMQBFZpwrFTbQZF2Eyw1I5xOMp1Y0QiTIe7TtqECB1S5yezeCTw2Sg/6oTQlNJyp3ycSHCg1DjzTGWA9UL+9qfiX1461X3ITJqJYU0Hmi/yYQx3C6fOwxyQlmo8NwUQycyskAywx0SaijAnh61P4P2nkbefcPquZNCpgjjQ4BEfgBDigCMrgClRBHRDAwS24Bw/WjXVnPVpP89aUtZjZBz9gPX8CamCTSA==</latexit>

A célula unitária não é única!


a
á
a
f
Cristalogra ia
Célul de Wigner-Seitz

Liga-se um nó a
todos os vizinhos
próximos

… e bissectam-se
todas as linhas

A área delimitada pelo


conjunto das
bissectrizes é a
célula de Wigner-Seitz
(que é unitária…)
a
f
Cristalogra ia
Simetri s

Parece haver um número in nito de redes cristalográ cas possíveis…

Mas será mesmo assim?

Podemos analisar o problema do ponto de vista das operações de simetria…

… …
a!
Simetrias de um objeto
<latexit sha1_base64="8p36pQerjald1nLtC9qLzUbHvKE=">AAACAXicbVDLSgMxFM34rONr1I3gJlgEV2VG8LERi25cVrAP6Awlk2ba0EwyJBmlDHXjp+jGhSJu/QD3bsS/Me10oa0HLpyccy+594QJo0q77rc1Mzs3v7BYWLKXV1bX1p2NzZoSqcSkigUTshEiRRjlpKqpZqSRSILikJF62LsY+vUbIhUV/Fr3ExLEqMNpRDHSRmo52z4jkUZSiluIoC9pp5u/Wk7RLbkjwGnijUnx7MM+TR6+7ErL+fTbAqcx4RozpFTTcxMdZEhqihkZ2H6qSIJwD3VI01COYqKCbHTBAO4ZpQ0jIU1xDUfq74kMxUr149B0xkh31aQ3FP/zmqmOToKM8iTVhOP8oyhlUAs4jAO2qSRYs74hCEtqdoW4iyTC2oRmmxC8yZOnSe2g5B2VDq/cYvkc5CiAHbAL9oEHjkEZXIIKqAIM7sAjeAYv1r31ZL1ab3nrjDWe2QJ/YL3/ACRvmlo=</latexit>

<latexit sha1_base64="PrJUFbuElLJuzJIlxh4+/ONN57I=">AAAB8HicbVDLSgNBEJz1GeMr6tHLYBDiJeyKr2PQi8cIeUmyhN7JbDJkdnaZ6RVCyFd48aCIVz/Hm3/jJNmDJhY0FFXddHcFiRQGXffbWVldW9/YzG3lt3d29/YLB4cNE6ea8TqLZaxbARguheJ1FCh5K9EcokDyZjC8m/rNJ66NiFUNRwn3I+grEQoGaKXHzgCQ1kpw1i0U3bI7A10mXkaKJEO1W/jq9GKWRlwhk2BM23MT9MegUTDJJ/lOangCbAh93rZUQcSNP54dPKGnVunRMNa2FNKZ+ntiDJExoyiwnRHgwCx6U/E/r51ieOOPhUpS5IrNF4WppBjT6fe0JzRnKEeWANPC3krZADQwtBnlbQje4svLpHFe9q7Klw8XxcptFkeOHJMTUiIeuSYVck+qpE4YicgzeSVvjnZenHfnY9664mQzR+QPnM8fkSePnQ==</latexit>

T̂ (a)
Conjunto de operações que deixam o objeto invariante … …

60∘
Simetrias pontuais
Conjunto de operações que deixam o objeto invariante e nas
quais pelo menos um ponto no espaço ica ixo
a
f
fi
f
f
fi
Cristalogra ia
Simetri s pontu is
Notação Internacional
Notação de Schön lies
(Hermann-Mauguin)

1. Identidade 1 E

2. Rotação em torno de um eixo por um ângulo 2π/n n Cn

3. Inversão 1̄ i

4. Re exão num plano m σ

5. Rotação imprópria (rotação seguida de inversão) n̄ Sn


fl
a
f
a
f
Cristalogra ia
Simetri s pontu is

n ⇒ Rotação em torno de um eixo por um ângulo 2π/n

2 3 4 5 6 7
(180º) (120º) (90º) (72º) (60º)
Rotação
Implica também 2=42 Implica também 3=62 negativa: “-6”=65

O eixo de rotação é indicado pela direção do vetor ua ⃗ + vb⃗ + wc,⃗ com u, v, w inteiros: [uvw]
Se várias direções forem equivalentes a [uvw] (num cubo, por exemplo): [uvw] ⇒ ⟨uvw⟩
a
a
f
this trick, however,rotation
it is safe operations.
to say that there
One is no
pointwayof in
definition: if two obj
rotation operations. One point of definit
ht-handed systems can be made equivalent
chirality, Cristalogra using ordinary
they are said to be
chirality, they ia
s. One point of definition: if two objects have the same
congruent
are said to to
be each other.
congruent t

.snoitare
aid to be congruent to each other. Simetri s pontu is

180º
1̄ ⇒ Inversão po noisr
<latexit sha1_base64="80WKgdtVurvR++NQ0BAsKyLKSVI=">AAAB/HicbVDJSgNBEK1xjXEbzdFLYxAihDAjbsegF48RzAKZIfR0epImPYvdPcExxF/x4kERr36IN//GTjIHTXxQ8Hiviqp6XsyZVJb1bSwtr6yurec28ptb2zu75t5+Q0aJILROIh6Jlocl5SykdcUUp61YUBx4nDa9wfXEbw6pkCwK71QaUzfAvZD5jGClpY5ZcOh9woaOhwWySw/ltPx43DGLVsWaAi0SOyNFyFDrmF9ONyJJQENFOJaybVuxckdYKEY4HeedRNIYkwHu0bamIQ6odEfT48foSCtd5EdCV6jQVP09McKBlGng6c4Aq76c9ybif147Uf6lO2JhnCgaktkiP+FIRWiSBOoyQYniqSaYCKZvRaSPBSZK55XXIdjzLy+SxknFPq+c3Z4Wq1dZHDk4gEMogQ0XUIUbqEEdCKTwDK/wZjwZL8a78TFrXTKymQL8gfH5A1lpk+8=</latexit>

( x, y, z) ⌘ (x̄, ȳ, z̄) ⌘ 1̄(x, y, z)


<latexit sha1_base64="rJSOpx54ZkdzlbOH+I1+JqTAAbs=">AAAB7nicbVDLSsNAFL2pr1pfVZduBotQoZSk+FoW3bisYB/QhjKZTtqhk0mYmYgx9CPcuFDErd/jzr9x2mahrQcuHM65l3vv8SLOlLbtbyu3srq2vpHfLGxt7+zuFfcPWiqMJaFNEvJQdjysKGeCNjXTnHYiSXHgcdr2xjdTv/1ApWKhuNdJRN0ADwXzGcHaSO3yYyWpPJ32iyW7as+AlomTkRJkaPSLX71BSOKACk04Vqrr2JF2Uyw1I5xOCr1Y0QiTMR7SrqECB1S56ezcCToxygD5oTQlNJqpvydSHCiVBJ7pDLAeqUVvKv7ndWPtX7kpE1GsqSDzRX7MkQ7R9Hc0YJISzRNDMJHM3IrICEtMtEmoYEJwFl9eJq1a1bmont+dlerXWRx5OIJjKIMDl1CHW2hAEwiM4Rle4c2KrBfr3fqYt+asbOYQ/sD6/AE90I7e</latexit> <latexit sha1_base64="yCOb1wvPCIam4LBv0GdrmtzDykE=">AAAB8XicbVDLTgJBEOzFF+IL9ehlIjHBBMiu8XUkevGIiTwibMjsMMCE2dnNzKxx3fAXXjxojFf/xpt/4wB7ULCSTipV3enu8kLOlLbtbyuztLyyupZdz21sbm3v5Hf3GiqIJKF1EvBAtjysKGeC1jXTnLZCSbHvcdr0RtcTv/lApWKBuNNxSF0fDwTrM4K1ke6L5cdSOS6Vn467+YJdsadAi8RJSQFS1Lr5r04vIJFPhSYcK9V27FC7CZaaEU7HuU6kaIjJCA9o21CBfarcZHrxGB0ZpYf6gTQlNJqqvycS7CsV+57p9LEeqnlvIv7ntSPdv3QTJsJIU0Fmi/oRRzpAk/dRj0lKNI8NwUQycysiQywx0SaknAnBmX95kTROKs555ez2tFC9SuPIwgEcQhEcuIAq3EAN6kBAwDO8wpulrBfr3fqYtWasdGYf/sD6/AF+WY+D</latexit> <latexit sha1_base64="uykUc37GerYkkeNIO1SJLwVOTtI=">AAACBXicbVC7TsMwFHV4lvIKMMJgUSEVCVUJ4jVWsDAWiT6kJqoc12mtOk6wnYoQdWHhV1gYQIiVf2Djb3DTDNByJOsenXOvru/xIkalsqxvY25+YXFpubBSXF1b39g0t7YbMowFJnUcslC0PCQJo5zUFVWMtCJBUOAx0vQGV2O/OSRC0pDfqiQiboB6nPoUI6WljrnnkLuYDsuOhwS8P8pKMikPhx2zZFWsDHCW2DkpgRy1jvnldEMcB4QrzJCUbduKlJsioShmZFR0YkkihAeoR9qachQQ6abZFSN4oJUu9EOhH1cwU39PpCiQMgk83Rkg1ZfT3lj8z2vHyr9wU8qjWBGOJ4v8mEEVwnEksEsFwYolmiAsqP4rxH0kEFY6uKIOwZ4+eZY0jiv2WeX05qRUvczjKIBdsA/KwAbnoAquQQ3UAQaP4Bm8gjfjyXgx3o2PSeuckc/sgD8wPn8Ax72Xeg==</latexit>

(x, y, z)

evnI 01

Há mudança de quiralidade…

m ⇒ Re exão num plano ( … espelho, i.e., “(m)irror” )


.1 erugi

O plano é indicado pela direção [uvw] da sua normal…

Exemplo: m[001] é uma re exão no plano perpendicular a c…



F

<latexit sha1_base64="rJSOpx54ZkdzlbOH+I1+JqTAAbs=">AAAB7nicbVDLSsNAFL2pr1pfVZduBotQoZSk+FoW3bisYB/QhjKZTtqhk0mYmYgx9CPcuFDErd/jzr9x2mahrQcuHM65l3vv8SLOlLbtbyu3srq2vpHfLGxt7+zuFfcPWiqMJaFNEvJQdjysKGeCNjXTnHYiSXHgcdr2xjdTv/1ApWKhuNdJRN0ADwXzGcHaSO3yYyWpPJ32iyW7as+AlomTkRJkaPSLX71BSOKACk04Vqrr2JF2Uyw1I5xOCr1Y0QiTMR7SrqECB1S56ezcCToxygD5oTQlNJqpvydSHCiVBJ7pDLAeqUVvKv7ndWPtX7kpE1GsqSDzRX7MkQ7R9Hc0YJISzRNDMJHM3IrICEtMtEmoYEJwFl9eJq1a1bmont+dlerXWRx5OIJjKIMDl1CHW2hAEwiM4Rle4c2KrBfr3fqYt+asbOYQ/sD6/AE90I7e</latexit> <latexit sha1_base64="US0wxivTGPVifsgJvr7dLkZcIe0=">AAAB73icbVDLSsNAFL3xWeur6tLNYBEq1JKIr2XRjcsK9gFtKJPppB06mcSZiRhDf8KNC0Xc+jvu/BunbRbaeuDC4Zx7ufceL+JMadv+thYWl5ZXVnNr+fWNza3tws5uQ4WxJLROQh7KlocV5UzQumaa01YkKQ48Tpve8HrsNx+oVCwUdzqJqBvgvmA+I1gbqVV6LCfl46ejbqFoV+wJ0DxxMlKEDLVu4avTC0kcUKEJx0q1HTvSboqlZoTTUb4TKxphMsR92jZU4IAqN53cO0KHRukhP5SmhEYT9fdEigOlksAznQHWAzXrjcX/vHas/Us3ZSKKNRVkusiPOdIhGj+PekxSonliCCaSmVsRGWCJiTYR5U0IzuzL86RxUnHOK2e3p8XqVRZHDvbhAErgwAVU4QZqUAcCHJ7hFd6se+vFerc+pq0LVjazB39gff4AqL+PFQ==</latexit>

(x, y, z) (x, y, z)
fl
a
a
f
fl
Cristalogra ia
Simetri s pontu is

m ⇒ Re exão num plano ( … espelho, i.e., “(m)irror” )


ace Groups for Solid State Scientists

Se de nirmos o eixo principal como sendo o eixo em relação


ao qual há uma simetria de rotação mais elevada, podemos
indicar os planos de re exão por referência a esse eixo

6/m Plano perpendicular ao eixo principal


<latexit sha1_base64="fyzx0o14mz4On4jcbYgiweo6W5w=">AAAB73icbVDJSgNBEK2JW4xb1KOXxiB4CjPidgx68RjBLJAMoafTkzTpZezuEcKQn/DiQRGv/o43/8ZOMgdNfFDweK+KqnpRwpmxvv/tFVZW19Y3ipulre2d3b3y/kHTqFQT2iCKK92OsKGcSdqwzHLaTjTFIuK0FY1up37riWrDlHyw44SGAg8kixnB1kntrmEDgXvDXrniV/0Z0DIJclKBHPVe+avbVyQVVFrCsTGdwE9smGFtGeF0UuqmhiaYjPCAdhyVWFATZrN7J+jEKX0UK+1KWjRTf09kWBgzFpHrFNgOzaI3Ff/zOqmNr8OMySS1VJL5ojjlyCo0fR71mabE8rEjmGjmbkVkiDUm1kVUciEEiy8vk+ZZNbisXtyfV2o3eRxFOIJjOIUArqAGd1CHBhDg8Ayv8OY9ei/eu/cxby14+cwh/IH3+QMccJAI</latexit>

Plano que contém o eixo principal e um dos outros eixos


<latexit sha1_base64="H7hoO4Iog6iHRIzXMKUHKa9NzrM=">AAAB73icbVDLSgMxFL3xWeur6tJNsAiuyoz4WhbduKxgH9AOJZNm2tAkMyaZQhn6E25cKOLW33Hn35i2s9DWAxcO59zLvfeEieDGet43WlldW9/YLGwVt3d29/ZLB4cNE6easjqNRaxbITFMcMXqllvBWolmRIaCNcPh3dRvjpg2PFaPdpywQJK+4hGnxDqp1TG8L0l31C2VvYo3A14mfk7KkKPWLX11ejFNJVOWCmJM2/cSG2REW04FmxQ7qWEJoUPSZ21HFZHMBNns3gk+dUoPR7F2pSyeqb8nMiKNGcvQdUpiB2bRm4r/ee3URjdBxlWSWqbofFGUCmxjPH0e97hm1IqxI4Rq7m7FdEA0odZFVHQh+IsvL5PGecW/qlw+XJSrt3kcBTiGEzgDH66hCvdQgzpQEPAMr/CGntALekcf89YVlM8cwR+gzx8xqJAW</latexit>

v
6m
Plano que contém o eixo principal mas nenhum dos outros eixos
<latexit sha1_base64="jD7nkNo46XMrAHXZCxhkMISd3Bs=">AAAB73icbVDLSsNAFL2pr1pfVZduBovgqiTia1l047KCfUAbymQyaYfOTOLMRCihP+HGhSJu/R13/o2TNgttPXDhcM693HtPkHCmjet+O6WV1bX1jfJmZWt7Z3evun/Q1nGqCG2RmMeqG2BNOZO0ZZjhtJsoikXAaScY3+Z+54kqzWL5YCYJ9QUeShYxgo2Vun3NhgIPwkG15tbdGdAy8QpSgwLNQfWrH8YkFVQawrHWPc9NjJ9hZRjhdFrpp5ommIzxkPYslVhQ7Weze6foxCohimJlSxo0U39PZFhoPRGB7RTYjPSil4v/eb3URNd+xmSSGirJfFGUcmRilD+PQqYoMXxiCSaK2VsRGWGFibERVWwI3uLLy6R9Vvcu6xf357XGTRFHGY7gGE7BgytowB00oQUEODzDK7w5j86L8+58zFtLTjFzCH/gfP4AFmCQBA==</latexit>

Internacional
Schön ies
5 The carbon ring of a benzene molecule with some of the symmetry oper-
fl
fi
fl
a
a
fl
f
said to be congruent to chirality,
each other.they are said to be congruent to each other.

Cristalogra ia

chirality, they are said to be congruent t


rotation operations. One point of definit
which left and right-handed systems can b
image. Apart from this trick, however, it i
dimensions, and then projected back in
(on the left) on a two-dimensional pla
dimensions can be rotated to form its enan

dimensionality.
Figure 1.9 How to change chirality by a pu
Simetri s pontu is

n̄ ⇒ Rotação imprópria

É uma operação composta… rotação seguida de inversão!


<latexit sha1_base64="8touCOTb5Go7J/tQ74/s3JAMpXg=">AAACB3icbVDLSsNAFJ3UV62vqktBBovgqiTia1l047KCfUATymQ6aYdOJnHmplBCd278FTcuFHHrL7jzb5ymWWjrgYFzz7mXO/f4seAabPvbKiwtr6yuFddLG5tb2zvl3b2mjhJFWYNGIlJtn2gmuGQN4CBYO1aMhL5gLX94M/VbI6Y0j+Q9jGPmhaQvecApASN1y4euTxSW2GUPCR/hrHKwGwEPmcamoWJX7Qx4kTg5qaAc9W75y+1FNAmZBCqI1h3HjsFLiQJOBZuU3ESzmNAh6bOOoZKYNV6a3THBx0bp4SBS5knAmfp7IiWh1uPQN50hgYGe96bif14ngeDKS7mME2CSzhYFicAQ4WkouMcVoyDGhhCquPkrpgOiCAUTXcmE4MyfvEiap1Xnonp+d1apXedxFNEBOkInyEGXqIZuUR01EEWP6Bm9ojfryXqx3q2PWWvBymf20R9Ynz8yF5hD</latexit>

n̄ ⌘ 1̄ ⌦ n

Não é necessário que a rotação e/ou a inversão sejam operações de simetria do


sistema que estamos a estudar, embora a combinação das duas o seja…

… mas o objeto não


<latexit sha1_base64="VLoNDD85uf2sHZk/RaEMjyK0kaI=">AAAB7XicbVDJSgNBEK2JW4xb1KOXxiB4CjPidgx68RjBLJAMoafTk7TpZejuEcKQf/DiQRGv/o83/8ZOMgdNfFDweK+KqnpRwpmxvv/tFVZW19Y3ipulre2d3b3y/kHTqFQT2iCKK92OsKGcSdqwzHLaTjTFIuK0FY1up37riWrDlHyw44SGAg8kixnB1knNboQ1Cnrlil/1Z0DLJMhJBXLUe+Wvbl+RVFBpCcfGdAI/sWGGtWWE00mpmxqaYDLCA9pxVGJBTZjNrp2gE6f0Uay0K2nRTP09kWFhzFhErlNgOzSL3lT8z+ukNr4OMyaT1FJJ5ovilCOr0PR11GeaEsvHjmCimbsVkSHWmFgXUMmFECy+vEyaZ9Xgsnpxf16p3eRxFOEIjuEUAriCGtxBHRpA4BGe4RXePOW9eO/ex7y14OUzh/AH3ucPzFGOog==</latexit>


90º
<latexit sha1_base64="KfAF5N9BmI41bW2AWLFHLsAHkyQ=">AAAB8HicbVDLSgNBEOyNrxhfUY9eBoPgKexKfFyEoBePEcxDskuYncwmQ2Zml5lZISz5Ci8eFPHq53jzb5wke9DEgoaiqpvurjDhTBvX/XYKK6tr6xvFzdLW9s7uXnn/oKXjVBHaJDGPVSfEmnImadMww2knURSLkNN2OLqd+u0nqjSL5YMZJzQQeCBZxAg2Vnr0Q6xQzUfXvXLFrbozoGXi5aQCORq98pffj0kqqDSEY627npuYIMPKMMLppOSnmiaYjPCAdi2VWFAdZLODJ+jEKn0UxcqWNGim/p7IsNB6LELbKbAZ6kVvKv7ndVMTXQUZk0lqqCTzRVHKkYnR9HvUZ4oSw8eWYKKYvRWRIVaYGJtRyYbgLb68TFpnVe+ien5fq9Rv8jiKcATHcAoeXEId7qABTSAg4Ble4c1Rzovz7nzMWwtOPnMIf+B8/gBeto98</latexit>

4̄ = Este objeto possui a simetria 4̄… possui 4 nem 1̄


2 isoladamente …
… e 4̄ = 2 …
a
a
f
Cristalogra ia
Simetri s pontu is

A cada operação de simetria associa-se um elemento de simetria: o conjunto


dos pontos que não mudam de posição por aplicação da operação de simetria

O conjunto das simetrias de um objeto forma um grupo, o grupo de simetria do objeto

Um conjunto G habilitado com uma operação de composição


(multiplicação) designada por ⋅ forma um grupo se:

8 a, b 2 G, a · b 2 G
<latexit sha1_base64="dpVNqXN8Dupmuobgy4f5fcg9XaQ=">AAACDHicbVDLSsNAFL2pr1pfVZduBovgopREfC2LLnRZwT6gCWUymbRDJ5MwMxFK6Ae48VfcuFDErR/gzr9x2mahrQcGzpxzL/fe4yecKW3b31ZhaXllda24XtrY3NreKe/utVScSkKbJOax7PhYUc4EbWqmOe0kkuLI57TtD68nfvuBSsVica9HCfUi3BcsZARrI/XKFTeMJebcRbjqu0ygm6qLzMclQazRTDFVds2eAi0SJycVyNHolb/cICZpRIUmHCvVdexEexmWmhFOxyU3VTTBZIj7tGuowBFVXjY9ZoyOjBIgs5V5QqOp+rsjw5FSo8g3lRHWAzXvTcT/vG6qw0svYyJJNRVkNihMOdIxmiSDAiYp0XxkCCaSmV0RGWCJiTb5lUwIzvzJi6R1UnPOa2d3p5X6VR5HEQ7gEI7BgQuowy00oAkEHuEZXuHNerJerHfrY1ZasPKeffgD6/MH3jSZmw==</latexit>

(a · b) · c = a · (b · c) 8 a, b, c 2 G
<latexit sha1_base64="79MEJEgaj/5ZwO0KW8encY70uAo=">AAACKXicbVDLSgMxFM3UV62vqks3wSK0UMqM+NoIRRe6rGBboTOUO5m0Dc1khiQjlNLfceOvuFFQ1K0/YtoOoq0nhBzOvZece/yYM6Vt+8PKLCwuLa9kV3Nr6xubW/ntnYaKEklonUQ8knc+KMqZoHXNNKd3saQQ+pw2/f7luN68p1KxSNzqQUy9ELqCdRgBbaR2vloElwSRxn5p+pLzVCj6qVBy8c/pRBI4dzGU/TJxmcBX7XzBrtgT4HnipKSAUtTa+Rc3iEgSUqEJB6Vajh1rbwhSM8LpKOcmisZA+tClLUMFhFR5w8mmI3xglAAbF+YK422s/p4YQqjUIPRNZwi6p2ZrY/G/WivRnTNvyEScaCrI9KNOwrGO8Dg2HDBJieYDQ4BIZrxi0gMJRJtwcyYEZ3bledI4rDgnleObo0L1Io0ji/bQPioiB52iKrpGNVRHBD2gJ/SK3qxH69l6tz6nrRkrndlFf2B9fQOuWqPU</latexit>

9 e2G: e·a=a·e=a 8a2G


<latexit sha1_base64="tb3tPMHkNkhuwoiTft06A3btutw=">AAACKXicbZBLSwMxEMez9VXrq+rRS7AInsqu+EIQih70WME+oFvKbDptQ7PZJcmKpfTrePGreFFQ1KtfxPSBaOuEwI//zDAz/yAWXBvX/XBSc/MLi0vp5czK6tr6RnZzq6yjRDEssUhEqhqARsEllgw3AquxQggDgZWgeznMV+5QaR7JW9OLsR5CW/IWZ2Cs1MgWfLy3U7RP0eeSXp35dIisGRkK5zAGtEB/XitSIIRPYdTQyObcvDsKOgveBHJkEsVG9sVvRiwJURomQOua58am3gdlOBM4yPiJxhhYF9pYsyghRF3vjy4d0D2rNKndwH5p6Ej93dGHUOteGNjKEExHT+eG4n+5WmJap/U+l3FiULLxoFYiqIno0Dba5AqZET0LwBS3u1LWAQXMWHMz1gRv+uRZKB/kveP80c1hrnAxsSNNdsgu2SceOSEFck2KpEQYeSBP5JW8OY/Os/PufI5LU86kZ5v8CefrG33KpFA=</latexit>

8 a 2 G, 9 b 2 G : a · b = b · a = e
<latexit sha1_base64="KQgLaAoON/6pHif7DjvOAjUbsmI=">AAACInicbVDLSgNBEJyN7/iKevQyGAQPEnbFNwSCHvQYwZhANoTeSScZnJ1dZmbFsORbvPgrXjwo6knwY5w8DhotaCiquunuCmLBtXHdTyczNT0zOze/kF1cWl5Zza2t3+goUQwrLBKRqgWgUXCJFcONwFqsEMJAYDW4PR/41TtUmkfy2vRibITQkbzNGRgrNXMnfjtSIIRPweeSXuz61Md7u1f7NBgqp1axJmtFhgbFYESgiM1c3i24Q9C/xBuTPBmj3My9+62IJSFKwwRoXffc2DRSUIYzgf2sn2iMgd1CB+uWSghRN9Lhi326bZUWtbfakoYO1Z8TKYRa98LAdoZgunrSG4j/efXEtI8bKZdxYlCy0aJ2IqiJ6CAv2uIKmRE9S4Apbm+lrAsKmLGpZm0I3uTLf8nNXsE7LBxc7edLZ+M45skm2SI7xCNHpEQuSZlUCCMP5Im8kFfn0Xl23pyPUWvGGc9skF9wvr4BPiaiQQ==</latexit>
a
a
f
Cristalogra ia
Grupos pontu is de simetri de um molécul
a
f
a
a
a
Cristalogra ia
Simetri s pontu is

HF CO2 H2O C2H4 Fe(C5H5)2 C6H6 U(C8H8)2


Fluoreto de Dióxido de
“Água” Etileno Ferroceno Benzeno Uranoceno
hidrogénio carbono

C∞v D∞h C2v D2h D5d D6h D8h

Nestes grupos há simetrias


“estranhas” para um cristal…
a
a
f
Cristalogra ia
Restriç o crist logr ic

Se esta rotação
é uma operação de simetria,
estes pontos são pontos da
a a
rede…

ma
a
a
2a cos ✓ = ma
<latexit sha1_base64="im4zgQ3uKEiJIirX/kqy+0WOgJY=">AAAB+HicbVBNS8NAEN34WetHox69BIvgqSTFr4tQ9OKxgv2AJpTJdtMu3WTD7kSopb/EiwdFvPpTvPlv3LY5aOuDgcd7M8zMC1PBNbrut7Wyura+sVnYKm7v7O6V7P2DppaZoqxBpZCqHYJmgiesgRwFa6eKQRwK1gqHt1O/9ciU5jJ5wFHKghj6CY84BTRS1y5VwadS+zhgCNcxdO2yW3FncJaJl5MyyVHv2l9+T9IsZglSAVp3PDfFYAwKORVsUvQzzVKgQ+izjqEJxEwH49nhE+fEKD0nkspUgs5M/T0xhljrURyazhhwoBe9qfif18kwugrGPEkzZAmdL4oy4aB0pik4Pa4YRTEyBKji5laHDkABRZNV0YTgLb68TJrVindROb8/K9du8jgK5Igck1PikUtSI3ekThqEkow8k1fyZj1ZL9a79TFvXbHymUPyB9bnD3hPkvw=</latexit>

ma <latexit sha1_base64="JtnXbZsKvitfanFh1umh504ISQ0=">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</latexit>

m 2 1 0 1 2
- cos ✓ 1 1/2 0 1/2 1
✓ 180 120 90 60 0
360
m’ a n= ✓ 2 3 4 6 1

m e m’ são números inteiros… Rotações “permitidas”


numa rede cristalográ ca
𝜃
𝜃
𝜃
ã
a
á
f
fi
f
a
Cristalogra ia
Simetri s pontu is

Considerando a restrição cristalográ ca, as únicas operações de


simetria pontual possíveis num cristal são:

1, 2, 3, 4, 6, 1̄, 2̄ = m, 3̄, 4̄, 6̄

A combinação destas operações gera 32 grupos pontuais de simetria


a
a
f
fi
Cristalogra ia
Simetri s pontu is

A hierarquia dos 32 grupos


pontuais de simetria
a
a
f
Cristalogra ia
Sistem s crist logr icos

Podemos pensar em começar por uma classi cação das redes cristalográ cas mais simples

Vamos supor que o motivo é esfericamente simétrico. Nesse caso basta-nos olhar para os nós da rede…

Comecemos por considerar o poliedro de nido pelos vetores a,⃗ b⃗ e c ⃗

Volume do poliedro
c
V = ~a · (~b ⇥ ~c)
<latexit sha1_base64="4sp6V/31Y0vXDRROW8Rh61TDFeE=">AAACCnicbZC7SgNBFIZn4y3G26qlzWgQYhN2xVsjBG0sI5gLZJcwOzubDJm9MHM2EEJqG1/FxkIRW5/AzrdxstlCE38Y+PjPOZw5v5cIrsCyvo3C0vLK6lpxvbSxubW9Y+7uNVWcSsoaNBaxbHtEMcEj1gAOgrUTyUjoCdbyBrfTemvIpOJx9ACjhLkh6UU84JSAtrrmYfPaGTKKiUP9GCoZew7wkKmM6UnXLFtVKxNeBDuHMspV75pfjh/TNGQRUEGU6thWAu6YSOBUsEnJSRVLCB2QHutojIje5Y6zUyb4WDs+DmKpXwQ4c39PjEmo1Cj0dGdIoK/ma1Pzv1onheDKHfMoSYFFdLYoSAWGGE9zwT6XjIIYaSBUcv1XTPtEEgo6vZIOwZ4/eRGap1X7onp+f1au3eRxFNEBOkIVZKNLVEN3qI4aiKJH9Ixe0ZvxZLwY78bHrLVg5DP76I+Mzx/UZ5m7</latexit>

α β
b
γ
a
a
a
á
f
f
fi
fi
fi
Cristalogra ia
Sistem s crist logr icos

Se as únicas operações de simetria admitidas pelo poliedro forem 1 ou {1,1̄}, os vetores a,⃗ b⃗ e c ⃗
podem ser quaisquer, isto é, não há qualquer restrição aos valores de a, b, c, α, β e γ

Sistema triclínico

c <latexit sha1_base64="h5zWATc2RY2cPRDpqumLyzYyvqY=">AAACO3icbZBLSwMxFIUzPmt9VV26GSyCIJaZ4msjFN24VLFV6NRyJ03b0GRmTO4IZej/cuOfcOfGjQtF3Lo3M63i60Lgu+fcS5LjR4JrdJwHa2x8YnJqOjeTn52bX1gsLC3XdBgryqo0FKG69EEzwQNWRY6CXUaKgfQFu/B7R6l/ccOU5mFwjv2INSR0At7mFNBIzcJZ7QB86ulrhYm75dFQX5U9EFEXPhuf4Rd3QErYLKfdcCijdCKDzB40C0Wn5GRl/wV3BEUyqpNm4d5rhTSWLEAqQOu660TYSEAhp4IN8l6sWQS0Bx1WNxiAZLqRZH8f2OtGadntUJkToJ2p3zcSkFr3pW8mJWBX//ZS8T+vHmN7v5HwIIqRBXR4UTsWNoZ2GqTd4opRFH0DQBU3b7VpFxRQNHHnTQju7y//hVq55O6Wdk63i5XDURw5skrWyAZxyR6pkGNyQqqEklvySJ7Ji3VnPVmv1ttwdMwa7ayQH2W9fwD7Ga69</latexit>

p
V = abc 1 cos2 ↵ cos2 cos2 + 2 cos ↵ cos cos

α β
b
γ
a
a
a
á
f
f
Cristalogra ia
Sistem s crist logr icos

Se o poliedro admitir a operação 2 (rotação por 180º) em torno do eixo c,⃗ por exemplo, e/ou a
re exão num plano (perpendicular a c,⃗ por exemplo) então a ⃗ e b⃗ têm de ser perpendiculares a c ⃗

Sistema monoclínico

V = abc sin
<latexit sha1_base64="62msH3Vd0Uk18R4CnB/Xjw3Z3v8=">AAAB+HicbVDLSgNBEJyNrxgfWfXoZTAInsKu+LoIQS8eI5gHZJfQO5kkQ2Zml5lZIS75Ei8eFPHqp3jzb5wke9DEgoaiqpvurijhTBvP+3YKK6tr6xvFzdLW9s5u2d3bb+o4VYQ2SMxj1Y5AU84kbRhmOG0nioKIOG1Fo9up33qkSrNYPphxQkMBA8n6jICxUtctN68hIoFmMhiAENB1K17VmwEvEz8nFZSj3nW/gl5MUkGlIRy07vheYsIMlGGE00kpSDVNgIxgQDuWShBUh9ns8Ak+tkoP92NlSxo8U39PZCC0HovIdgowQ73oTcX/vE5q+ldhxmSSGirJfFE/5djEeJoC7jFFieFjS4AoZm/FZAgKiLFZlWwI/uLLy6R5WvUvquf3Z5XaTR5HER2iI3SCfHSJaugO1VEDEZSiZ/SK3pwn58V5dz7mrQUnnzlAf+B8/gCLn5MJ</latexit>

c

90 ∘ 90
b
γ
a
fl
a
a
á
f
f
Cristalogra ia
Sistem s crist logr icos

Se o poliedro admitir duas operações 2 (rotação por 180º) em torno de dois eixos diferentes,
então a,⃗ b⃗ e c ⃗ têm de ser perpendiculares uns aos outros

Sistema ortorrômbico

V = abc
<latexit sha1_base64="4FLwGPnTLmTo2nA87zj9IvRllC8=">AAAB7HicbVBNS8NAEJ3Ur1q/qh69LBbBU0nEr4tQ9OKxgmkLbSiT7bZdutmE3Y1QQn+DFw+KePUHefPfuG1z0NYHA4/3ZpiZFyaCa+O6305hZXVtfaO4Wdra3tndK+8fNHScKsp8GotYtULUTHDJfMONYK1EMYxCwZrh6G7qN5+Y0jyWj2acsCDCgeR9TtFYyW/cYEi75YpbdWcgy8TLSQVy1Lvlr04vpmnEpKECtW57bmKCDJXhVLBJqZNqliAd4YC1LZUYMR1ks2Mn5MQqPdKPlS1pyEz9PZFhpPU4Cm1nhGaoF72p+J/XTk3/Osi4TFLDJJ0v6qeCmJhMPyc9rhg1YmwJUsXtrYQOUSE1Np+SDcFbfHmZNM6q3mX14uG8UrvN4yjCERzDKXhwBTW4hzr4QIHDM7zCmyOdF+fd+Zi3Fpx85hD+wPn8AWb5jm8=</latexit>

c ∘
90

90 b
90∘
a
a
a
á
f
f
Cristalogra ia
Sistem s crist logr icos

Se o poliedro admitir a operação 4 (rotação por 90º) ou 4̄ em torno de um eixo (c,⃗ por exemplo),
então a,⃗ b⃗ e c ⃗ têm de ser perpendiculares uns aos outros e a = b

Sistema tetragonal

2
<latexit sha1_base64="tuFNxKMTo4BpNN43jk0Lr5GOwtQ=">AAAB7XicbVBNSwMxEJ2tX7V+VT16CRbBU9ktfl2EohePFey20K4lm2bb2GyyJFmhLP0PXjwo4tX/481/Y9ruQasPBh7vzTAzL0w408Z1v5zC0vLK6lpxvbSxubW9U97d87VMFaFNIrlU7RBrypmgTcMMp+1EURyHnLbC0fXUbz1SpZkUd2ac0CDGA8EiRrCxku9f4vsa6ZUrbtWdAf0lXk4qkKPRK392+5KkMRWGcKx1x3MTE2RYGUY4nZS6qaYJJiM8oB1LBY6pDrLZtRN0ZJU+iqSyJQyaqT8nMhxrPY5D2xljM9SL3lT8z+ukJroIMiaS1FBB5ouilCMj0fR11GeKEsPHlmCimL0VkSFWmBgbUMmG4C2+/Jf4tap3Vj29PanUr/I4inAAh3AMHpxDHW6gAU0g8ABP8AKvjnSenTfnfd5acPKZffgF5+Mb0x2Opw==</latexit>

V =a c
c ∘
90

90 a
90∘
a
a
a
á
f
f
Cristalogra ia
Sistem s crist logr icos

Se o poliedro admitir a operação 3 (rotação por 120º) em torno de 4 eixos diferentes (as
diagonais), então a,⃗ b⃗ e c ⃗ têm de ser perpendiculares uns aos outros e a = b = c

Sistema cúbico


120
3
<latexit sha1_base64="XGf/fCoZtbnzwyHffEFyfeB4fYQ=">AAAB7HicbVBNSwMxEJ2tX7V+VT16CRbBU9n1+yIUvXis4LaFdi3ZNNuGJtklyQpl6W/w4kERr/4gb/4b03YP2vpg4PHeDDPzwoQzbVz32yksLa+srhXXSxubW9s75d29ho5TRahPYh6rVog15UxS3zDDaStRFIuQ02Y4vJ34zSeqNIvlgxklNBC4L1nECDZW8hvX+PG0W664VXcKtEi8nFQgR71b/ur0YpIKKg3hWOu25yYmyLAyjHA6LnVSTRNMhrhP25ZKLKgOsumxY3RklR6KYmVLGjRVf09kWGg9EqHtFNgM9Lw3Ef/z2qmJroKMySQ1VJLZoijlyMRo8jnqMUWJ4SNLMFHM3orIACtMjM2nZEPw5l9eJI2TqndRPb8/q9Ru8jiKcACHcAweXEIN7qAOPhBg8Ayv8OZI58V5dz5mrQUnn9mHP3A+fwAYJY47</latexit>

V =a

a 90

Estes vetores NÃO 90 a
são coplanares…

90
a
a
a
á
f
f
Cristalogra ia
Sistem s crist logr icos

Quando o poliedro admite apenas uma simetria 3 ou 3̄ (ou 6 ou 6̄), a situação é um pouco mais
confusa, visto que há alguma “sobreposição” das de nições. A convenção atual consiste em de nir dois
sistemas diferentes e admitir um terceiro sistema como um caso particular de um dos outros dois…

Sistema hexagonal Sistema trigonal Sistema romboédrico

Célula primitiva
idêntica à hexagonal…
c p α
a
<latexit sha1_base64="SMOiUV0gMYYjrhBYklRrZistOgE=">AAACAXicbVDLSsNAFL3xWesr6kZwM1gEVyWpz41QdOOygn1AE8tkOmmHTh7OTIQS4sZfceNCEbf+hTv/xmmbhbYeuHA4517uvceLOZPKsr6NufmFxaXlwkpxdW19Y9Pc2m7IKBGE1knEI9HysKSchbSumOK0FQuKA4/Tpje4GvnNByoki8JbNYypG+BeyHxGsNJSx9xtXOC7CnF8gUnqyHuh0qMsSytZxyxZZWsMNEvsnJQgR61jfjndiCQBDRXhWMq2bcXKTbFQjHCaFZ1E0hiTAe7RtqYhDqh00/EHGTrQShf5kdAVKjRWf0+kOJByGHi6M8CqL6e9kfif106Uf+6mLIwTRUMyWeQnHKkIjeJAXSYoUXyoCSaC6VsR6WMdhtKhFXUI9vTLs6RRKdun5ZOb41L1Mo+jAHuwD4dgwxlU4RpqUAcCj/AMr/BmPBkvxrvxMWmdM/KZHfgD4/MHhgCW9w==</latexit>

3 α
90∘ V =a c 2 a
2
90∘ α
a
120 ∘ a
p
a
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3
V =a 1 3 cos2 ↵ + 2 cos3 ↵
a
a
á
f
f
fi
fi
Cristalogra ia
Sistem s crist logr icos

É possível adicionar nós à rede sem quebrar as simetrias que de nem cada um dos sistemas

No centro Em duas faces opostas Em todas as faces


P I A, B, C F
… de corpo centrado … de faces centradas
a
a
á
f
f
fi
Cristalogra ia
Redes de Br v is

A adição dos nós nem sempre resulta numa nova rede: nalguns casos pode produzir algo que já
não é uma rede cristalográ ca e noutros pode gerar algo equivalente a uma rede já conhecida

O resultado nal desta operação são 14 redes de Bravais distintas


agrupadas em 7 sistemas de Bravais distintos

A adição destes nós implica que a célula unitária que serve de ponto de partida deixa de ser
primitiva (passa a haver mais de um nó da rede por célula unitária)

Mas pode ser de nida uma nova célula unitária que seja primitiva…
fi
a
a
fi
f
fi
Cristalogra ia
Redes de Br v is

120º
γ γ

aP mP mC oP oI oC oF hP
Triclínico Monoclínico Ortorrômbico Hexagonal

120º

tP tI cP cI cF hP hR
Tetragonal Cúbico Trigonal
a
a
f
Cristalogra ia
Redes de Br v is

Se ignorarmos o motivo, ou tivermos um motivo esfericamente simétrico, só 14 dos 32


grupos pontuais de simetria geram uma rede cristalográ ca: as 14 redes de Bravais…

Mas se o motivo não for esfericamente simétrico, camos com todos os 32 grupos pontuais de simetria

Sistema cristalográ icos Grupos pontuais


Triclínico 1 1̄
Monoclínico 2 m 2/m
Ortorrômbico 222 mm2 mmm
Tetragonal 4 4̄ 4/m 422 4mm 4̄ 2m 4/mmm
Cúbico 23 m 3̄ 432 4̄ 3m m3̄ m
Hexagonal 6 6̄ 6/m 622 6mm 6̄ m2 6/mmm
Trigonal 3 3̄ 32 3m 3̄ m
a
a
f
f
fi
fi
takes it to (y, x, ¾þz). Finally, the fourth operation 44 returns
to its initial position, but translated along c through a unit re
Note that in designating the screw axes a subscript is use

Cristalogra ia
tional notation, the screw rotation is denoted Rq, where it is
that the fractional unit of translation is q divided by the order n
Consider the 42 operation shown in Fig. 5.4. For
2p/4 ¼ 90" the general point is displaced along c throu

Simetri s esp ci is
(2/4)c.
Thus, the initial point at (x, y, z) is taken by 42 to (
operation 422 then takes it to (x, y, 1þz) which by transla
is equivalent to the point (x, y, z). The third operati

Mas há outras simetrias a considerar além das simetrias pontuais…


(y, x, 1½þz), which is equivalent, by the same token,

Por exemplo, uma operação de simetria que combine uma rotação de


c
ordem n em torno de um eixo com uma translação ao longo desse eixo

Figure 5.3 A 41 screw axis.

Quando se consideram todas as operações de simetria pontuais e todas as possíveis


translações não-fraccionárias (redes de Bravais…), obtemos 73 grupos de simetria espacial
(grupos simór cos). Se adicionarmos as operações de simetria que envolvem uma translação
fraccionária, camos com um total de 230 grupos espaciais de simetria.
a
fi
fi
a
a
f
Cristalogra ia
Grupos esp ci is de simetri
Triclínico 1 P1 2 P-1 3 P2 4 P21 5 C2 116 P-4c2 117 P-4b2 118 P-4n2 119 I-4m2 120 I-4c2

6 Pm 7 Pc 8 Cm 9 Cc 10 P2/m 121 I-42m 122 I-42d 123 P4/mmm 124 P4/mcc 125 P4/nbm I4̄c2 (−4 ≡ 4̄)
Monoclínico 11 P21/m 12 C2/m 13 P2/c 14 P21/c 15 C2/c 126 P4/nnc 127 P4/mbm 128 P4/mnc 129 P4/nmm 130 P4/ncc

16 P222 17 P2221 18 P21212 19 P212121 20 C2221 131 P42/mmc 132 P42/mcm 133 P42/nbc 134 P42/nnm 135 P42/mbc

21 C222 22 F222 23 I222 24 I212121 25 Pmm2 136 P42/mnm 137 P42/nmc 138 P42/ncm 139 I4/mmm 140 I4/mcm

26 Pmc21 27 Pcc2 28 Pma2 29 Pca21 30 Pnc2 141 I41/amd 142 I41/acd 143 P3 144 P31 145 P32

31 Pmn21 32 Pba2 33 Pna21 34 Pnn2 35 Cmm2 146 R3 147 P-3 148 R-3 149 P312 150 P321

36 Cmc21 37 Ccc2 38 Amm2 39 Aem2 40 Ama2 151 P3112 152 P3121 153 P3212 154 P3221 155 R32 Trigonal
Ortorrômbico 41 Aea2 42 Fmm2 43 Fdd2 44 Imm2 45 Iba2 156 P3m1 157 P31m 158 P3c1 159 P31c 160 R3m

46 Ima2 47 Pmmm 48 Pnnn 49 Pccm 50 Pban 161 R3c 162 P-31m 163 P-31c 164 P-3m1 165 P-3c1

51 Pmma 52 Pnna 53 Pmna 54 Pcca 55 Pbam 166 R-3m 167 R-3c 168 P6 169 P61 170 P65

56 Pccn 57 Pbcm 58 Pnnm 59 Pmmn 60 Pbcn 171 P62 172 P64 173 P63 174 P-6 175 P6/m

61 Pbca 62 Pnma 63 Cmcm 64 Cmce 65 Cmmm 176 P63/m 177 P622 178 P6122 179 P6522 180 P6222 Hexagonal
66 Cccm 67 Cmme 68 Ccce 69 Fmmm 70 Fddd 181 P6422 182 P6322 183 P6mm 184 P6cc 185 P63cm

71 Immm 72 Ibam 73 Ibca 74 Imma 75 P4 186 P63mc 187 P-6m2 188 P-6c2 189 P-62m 190 P-62c

76 P41 77 P42 78 P43 79 I4 80 I41 191 P6/mmm 192 P6/mcc 193 P63/mcm 194 P63/mmc 195 P23

81 P-4 82 I-4 83 P4/m 84 P42/m 85 P4/n 196 F23 197 I23 198 P213 199 I213 200 Pm-3

86 P42/n 87 I4/m 88 I41/a 89 P422 90 P4212 201 Pn-3 202 Fm-3 203 Fd-3 204 Im-3 205 Pa-3

91 P4122 92 P41212 93 P4222 94 P42212 95 P4322 206 Ia-3 207 P432 208 P4232 209 F432 210 F4132

Tetragonal 96 P43212 97 I422 98 I4122 99 P4mm 100 P4bm 211 I432 212 P4332 213 P4132 214 I4132 215 P-43m
Cúbico
101 P42cm 102 P42nm 103 P4cc 104 P4nc 105 P42mc 216 F-43m 217 I-43m 218 P-43n 219 F-43c 220 I-43d

106 P42bc 107 I4mm 108 I4cm 109 I41md 110 I41cd 221 Pm-3m 222 Pn-3n 223 Pm-3n 224 Pn-3m 225 Fm-3m Cúbica de faces
111 P-42m 112 P-42c 113 P-421m 114 P-421c 115 P-4m2 226 Fm-3c 227 Fd-3m 228 Fd-3c 229 Im-3m 230 Ia-3d centradas
Cúbica simples Cúbica de corpo centrado
a
a
f
a
Cristalogra ia
Grupos esp ci is de simetri
Bilbao Crystallographic Server

https://www.cryst.ehu.es/

AFLOW standard encyclopaedia of crystallographic prototypes

https://www.a owlib.org/prototype-encyclopedia/
fl
a
a
f
a
Cristalogra ia
Exemplos

É uma rede cúbica Mas podemos construir uma célula primitiva…


simples com motivo 8
⇢ ~ a = a
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< 2 ( x̂ + ŷ + ẑ)
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(0, 0, 0)
1 1 1 ~b = a (+x̂ ŷ + ẑ)
,
2 2 2, : 2
a⃗ ~c = a2 (+x̂ + ŷ ẑ)
O número de átomos por b⃗ z
unidade de volume é 2/a 3 c⃗
Sódio
y
Im3̄m
x
Rede cúbica de corpo centrado ⇣ ⌘
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V = ~a · ~b ⇥ ~c
3 3
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Esta célula contém a a


1 1 = ( x̂ + ŷ + ẑ) · (2ŷ + 2ẑ) =
8 2
8 × + 1 × = 2 átomos Célula de Wigner-Seitz
8 1 O número de átomos por unidade de volume é 2/a 3
f
Cristalogra ia
Exemplos

Sódio

Im3̄m

Ferrite
f
Cristalogra ia
Exemplos

f
Cristalogra ia
Exemplos

1 1 1
Esta célula contém 8 × + 6 × + 4 × = 8 átomos
8 2 1

8 a
Vetores da rede para a célula < ~a = 2 (ŷ + ẑ)
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unitária primitiva da rede ~ a


b = 2 (x̂ + ẑ)
Rede cúbica de faces centradas :
cúbica de faces centradas
a
~c = 2 (x̂ + ŷ)
Diamante com motivo (referido à rede
cúbica simples…) 8
Fd3̄m Motivo referido à célula
1 1 1
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< 8, 8, 8
(0, 0, 0) unitária primitiva da rede
1 1 1 :
4, 4, 4 cúbica de faces centradas
7 7 7
8, 8, 8
f
Cristalogra ia
Exemplos

Diamante

Fd3̄m

NiTi2
f
Cristalogra ia
Exemplos

Visto na direção c ⃗

Gra te P3 (trigonal)
fi
f
Cristalogra ia
Exemplos

Wurtzite
Hexagonal ZnS P63mc
f
Cristalogra ia
Exemplos

Zincblenda
Cúbico ZnS F4̄3m
f
Partícula num potencial periódico
Princípio de Neum nn

Os elementos de simetria de qualquer


propriedade ísica de um cristal incluem
todos os elementos de simetria do grupo
pontual do cristal

Por outras palavras: nenhuma propriedade ísica de um cristal pode


exibir uma simetria “inferior” à do grupo pontual do cristal…

0
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1 0
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0
1 0 1 <latexit sha1_base64="Gbukp2Zswxjo33TNpoTlwaUtlWM=">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</latexit>

0 10 1
x x x a11 a12 a13 x
Operações pontuais @ y A @ y 0 A = A @ y A = @ a21 a22 a23 A @ y A
de simetria: z z0 z a31 a32 a33 z

A é uma transformação ortogonal de coordenadas: det(A) = ±1


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f
a
f
Partícula num potencial periódico
Princípio de Neum nn

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0 1 <latexit sha1_base64="l1ySmmOEUGX+ko/bM1+8AWuSBks=">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</latexit>

0 p 1
1 0 0 1 0 0 p1/2 3/2 0
1 A=@ 0 1 0 A 2[001] A=@ 0 1 0 A 3[001] A = @ 3/2 1/2 0 A
0 0 1 0 0 1 0 0 1
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0 1 <latexit sha1_base64="/6rptrWxzSdBrAHL6PHrIMk48Fk=">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</latexit>

0 1 <latexit sha1_base64="oEDYpz9c+OsIBacX+jTFoQKAbVs=">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</latexit>

0 p 1
0 0 1 0 1 0 p1/2 3/2 0
3[111] A=@ 1 0 0 A 4[001] A=@ 1 0 0 A 6[001] A = @ 3/2 1/2 0 A
0 1 0 0 0 1 0 0 1
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0 1 <latexit sha1_base64="k7+yyi0LRwr4FlN4X2OCo298tl0=">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</latexit>

0 1 <latexit sha1_base64="TiXhocf5Uaqd7h6GNKM3Bnei4hM=">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</latexit>

0 p 1
1 0 0 1 0 0 p1/2 3/2 0
1̄ A=@ 0 1 0 A 2̄[001] ⌘ m[001] A=@ 0 1 0 A 3̄[001] A = @ 3/2 1/2 0 A
0 0 1 0 0 1 0 0 1
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0 1 <latexit sha1_base64="t82HjfkYZuT2YaHA36sc3uzWz7Y=">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</latexit>

0 p 1
0 1 0 p1/2 3/2 0
4̄[001] A=@ 1 0 0 A 6̄[001] A = @ 3/2 1/2 0 A …
0 0 1 0 0 1
a
Partícula num potencial periódico
Princípio de Neum nn

0 1 0 10 1
u0x
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a11 a12 a13 ux


u ⃗ é um vetor (polar) se: @ u0y A = @ a21 a22 a23 A @ uy A
u0z a31 a32 a33 uz

0 1 0 10 1
u0x
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a11 a12 a13 ux


u ⃗ é um vetor axial ou pseudo-vetor se: @ u0y A = det(A) @ a21 a22 a23 A @ uy A
u0z a31 a32 a33 uz

N fatores
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X z }| {
T é um tensor (polar) de ordem N se: 0
Tijk···n = aip ajq akr · · · anu Tpqr···u
p,q,r,··· ,u

N fatores
<latexit sha1_base64="QrlKNqQAwmwC66OmlTjbTbqd+oM=">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</latexit>

X z }| {
T é um tensor axial de ordem N ou pseudo-tensor se: 0
Tijk···n = det(A) aip ajq akr · · · anu Tpqr···u
p,q,r,··· ,u
a
Partícula num potencial periódico
Princípio de Neum nn
0
<latexit sha1_base64="klDnnQbVp8SxSqBaodwcOJB68ok=">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</latexit>

1 0 10 1
jx xx xy xz Ex X X
~
<latexit sha1_base64="f3n/Wz862JHR8X8tDXDscun2NAQ=">AAACDXicbVDLSgMxFM3UV62vUZduglVwVWbE10YoiuCygn1AZyiZTNrGJpkhyRTK0B9w46+4caGIW/fu/Bsz7Sy09ULI4Zx7ueeeIGZUacf5tgoLi0vLK8XV0tr6xuaWvb3TUFEiManjiEWyFSBFGBWkrqlmpBVLgnjASDMYXGd6c0ikopG416OY+Bz1BO1SjLShOvaBNyTYe+BI9y+9IGKhGnHzpZ6iPY7GmQpvOnbZqTiTgvPAzUEZ5FXr2F9eGOGEE6ExQ0q1XSfWfoqkppiRcclLFIkRHqAeaRsoECfKTyfXjOGhYULYjaR5QsMJ+3siRVxlLk1nZlvNahn5n9ZOdPfCT6mIE00Eni7qJgzqCGbRwJBKgjUbGYCwpMYrxH0kEdYmwJIJwZ09eR40jivuWeX07qRcvcrjKII9sA+OgAvOQRXcghqoAwwewTN4BW/Wk/VivVsf09aClc/sgj9lff4AUpacWw==</latexit>

@ jy A = @ A @ Ey A 0
<latexit sha1_base64="fKNEYQQPr9o6o785XXFQSbBjpgw=">AAACF3icbVA7T8MwGHTKq5RXgJElokIwoChBvBakChbGItGH1ESR4zqtWztJbQepivIvWPgrLAwgxAob/wanzQAtJ9k63d0n+zs/pkRIy/rWSguLS8sr5dXK2vrG5pa+vdMUUcIRbqCIRrztQ4EpCXFDEklxO+YYMp/ilj+8yf3WA+aCROG9HMfYZbAXkoAgKJXk6aYjSI/BQy8lg+zKEQnz0vh4lEElxPk9GGXTiNJHmadXLdOawJgndkGqoEDd07+cboQShkOJKBSiY1uxdFPIJUEUZxUnETiGaAh7uKNoCBkWbjrZKzMOlNI1goirE0pjov6eSCETYsx8lWRQ9sWsl4v/eZ1EBpduSsI4kThE04eChBoyMvKSjC7hGEk6VgQiTtRfDdSHHCKpqqyoEuzZledJ88S0z82zu9Nq7bqoowz2wD44Aja4ADVwC+qgARB4BM/gFbxpT9qL9q59TKMlrZjZBX+gff4AY3GhWg==</latexit>

0
<latexit sha1_base64="EuhHzdajUMK8tApYOFZsGhoSCy4=">AAACE3icbZDLSsNAFIYn9VbrLerSTbAIIlIS8bYRim5cVrAXaEKYTCbt2JlkOjMRSsg7uPFV3LhQxK0bd76N0zYLrf4w8PGfczhz/oBTIpVtfxmlufmFxaXycmVldW19w9zcaskkFQg3UUIT0QmgxJTEuKmIorjDBYYsoLgdDK7G9fY9FpIk8a0acewx2ItJRBBU2vLNgwtXpszP+OEwh35GeO5K0mMa+TB3FaEhzmDuZ8O73Derds2eyPoLTgFVUKjhm59umKCU4VghCqXsOjZXXgaFIojivOKmEnOIBrCHuxpjyLD0sslNubWnndCKEqFfrKyJ+3Mig0zKEQt0J4OqL2drY/O/WjdV0bmXkZinCsdouihKqaUSaxyQFRKBkaIjDRAJov9qoT4UECkdY0WH4Mye/BdaRzXntHZyc1ytXxZxlMEO2AX7wAFnoA6uQQM0AQIP4Am8gFfj0Xg23oz3aWvJKGa2wS8ZH9+FRp/a</latexit>

<latexit sha1_base64="StMDzgnj9jhBetTz9gKK2SDZKeM=">AAACG3icbVDLSsNAFJ3UV62vqEs3wSK6KknxtRFa3bisYB/QhDKZTNqhk5kwMxFKyH+48VfcuFDEleDCv3HSZqGtB4Y5nHMv997jx5RIZdvfRmlpeWV1rbxe2djc2t4xd/c6kicC4TbilIueDyWmhOG2IoriXiwwjHyKu/74Jve7D1hIwtm9msTYi+CQkZAgqLQ0MOuuz2kgJ5H+UleSYQSPs6vmopq5itAAp81sYFbtmj2FtUicglRBgdbA/HQDjpIIM4UolLLv2LHyUigUQRRnFTeROIZoDIe4rymDEZZeOr0ts460ElghF/oxZU3V3x0pjGS+qK6MoBrJeS8X//P6iQovvZSwOFGYodmgMKGW4lYelBUQgZGiE00gEkTvaqERFBApHWdFh+DMn7xIOvWac147uzutNq6LOMrgAByCE+CAC9AAt6AF2gCBR/AMXsGb8WS8GO/Gx6y0ZBQ9++APjK8fYvKi5Q==</latexit>

~| = E yx yy yz ij = aip ajq pq = aip pq ãqj = A Ã


jz zx zy zz Ez p,q p,q
σ é um tensor de ordem 2…
Princípio de Neumann
Consideremos um cristal do sistema cúbico …
<latexit sha1_base64="/6rptrWxzSdBrAHL6PHrIMk48Fk=">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</latexit>

0 1 <latexit sha1_base64="Sl6+xfqNtfhwBePg4dK0mO8si6w=">AAACGnicbVDLSsNAFJ3UV62vqEs3wSK4Kon42gitblxWsA9oQplMJu3QeYSZiVBCv8ONv+LGhSLuxI1/46TNQmsPDHM4517uvSdMKFHadb+t0tLyyupaeb2ysbm1vWPv7rWVSCXCLSSokN0QKkwJxy1NNMXdRGLIQoo74egm9zsPWCoi+L0eJzhgcMBJTBDURurbnh8KGqkxM1/mKzJgcHLVWCD6mtAIZ41J3666NXcK5z/xClIFBZp9+9OPBEoZ5hpRqFTPcxMdZFBqgiieVPxU4QSiERzgnqEcMqyCbHraxDkySuTEQprHtTNVf3dkkKl8UVPJoB6qeS8XF3m9VMeXQUZ4kmrM0WxQnFJHCyfPyYmIxEjTsSEQSWJ2ddAQSoi0SbNiQvDmT/5P2ic177x2dndarV8XcZTBATgEx8ADF6AObkETtAACj+AZvII368l6sd6tj1lpySp69sEfWF8/9jCitA==</latexit>

= A Ã
0 1 0
… onde uma das simetrias pontuais é 4[001] A=@ 1 0 0 A
0 0 1
0
<latexit sha1_base64="OV8NQPQM1ESHIKE1m9n3JbYQhJQ=">AAAD4HiczVNLb9NAEN7YPEp4pXDksiIClUMju+J1QargwrGVSFsptqL1Zuysul5bu2NU2/Kplx5AiCs/ixt/hHM3iRXhPhBHRrL1zcw3j2+1G+VSGPS8Xz3HvXHz1u2NO/279+4/eDjYfHRgskJzGPNMZvooYgakUDBGgRKOcg0sjSQcRscfFvnDz6CNyNQnLHMIU5YoEQvO0Iamm73fgYQYt4IIEqFqpjUrm5pz3vQDI5KUTeuTk4Y+p2uv7HhVQ4NgTS071LJDLbvUqkOtOtSqstNBzdp1Ai2SOb541792Vc8Wb/v25y1GrEDreK3jX9Hx+ob/m/a/S18r3/5n6dPB0Bt5S6OXgd+CIWltbzr4GcwyXqSgkEtmzMT3cgxtUxRcgt25MJAzfswSmFioWAomrJcXtKHPbGRG40zbTyFdRv+sqFlqTJlGlpkynJuLuUXwqtykwPhtWAuVFwiKrwbFhaSY0cVtpzOhgaMsLWBcC7sr5XOmGUf7Jvr2EPyLki+Dg52R/3r0av/lcPd9exwb5Al5SraIT96QXfKR7JEx4U7onDpfnK9u5J6539zvK6rTa2sek465P84Bmyk7qA==</latexit>

1 0 10 10 1
xx xy xz 0 1 0 xx xy xz 0 1 0
@ yx yy yz
A=@ 1 0 0 A@ yx yy yz
A@ 1 0 0 A
zx zy zz 0 0 1 zx zy zz 0 0 1
0 <latexit sha1_base64="AltdgdHSMTZCyGB5499m6hyIRd8=">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</latexit>

1 <latexit sha1_base64="bNWlw0sBzK+kwDxtBgxANqX5A+c=">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</latexit>

0 1
yy yx yz xx xy 0
=@ xy xx xz
A =@ xy xx 0 A
zy zx zz 0 0 zz
a
Partícula num potencial periódico
Princípio de Neum nn
<latexit sha1_base64="ojdJMEvAGS22eMnYAmHurAWtyXI=">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</latexit>

0 1
1 0 0
… outra simetria pontual do
2[100] A=@ 0 1 0 A
sistema cúbico é
0 0 1
0
<latexit sha1_base64="+4whc5qMwTk5Dq2EHkuG/fZgJes=">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</latexit>

1 0 10 10 1 <latexit sha1_base64="fztXKJ11pFJELKkfYxRKyz0FhrY=">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</latexit>

0 1
xx xy 0 1 0 0 xx xy 0 1 0 0 xx xy 0
@ xy xx 0 A=@ 0 1 0 A@ xy xx 0 A@ 0 1 0 A= @ xy xx 0 A
0 0 zz 0 0 1 0 0 zz 0 0 1 0 0 zz

<latexit sha1_base64="SMEENj43tm6a5OwGMU/Y+bSy9e4=">AAACTHicbVBNSxxBEO3ZRKPj15ocvTRZFD24zIhGLwGTXDwqZFXYGZaemprdxp6eobtGWIb9gbl48JZfkUsOCSGQ3nECiVpQ8Oq9qurql5RKWgqCr17nxcuFxVdLy/7K6tr6Rnfz9aUtKgM4gEIV5joRFpXUOCBJCq9LgyJPFF4lN5/m+tUtGisL/ZmmJca5GGuZSRDkqFEXDodhEMSRQpFaKviH977DGe1GCY6lroUxYjqrAWDmh3yHB01GkR+0xX74t2pkP0KdtlORkeMJ7fmjbi/oB03wpyBsQY+1cT7q3kdpAVWOmkAJa92JJcVuK0lQOPOjymIp4EaMceigFjnauG7MmPFtx6Q8K4xLTbxh/52oRW7tNE9cZy5oYh9rc/I5bVhRdhLXUpcVoYaHh7JKcefa3FmeSoNAauqAACPdrRwmwggg5//chPDxl5+Cy4N++K5/dHHYO/3Y2rHEtthbtstCdsxO2Rk7ZwMG7Av7xn6wn96d99375f1+aO147cwb9l90Fv8AF3esPA==</latexit>

0 1
… e também é simetria
1 0 0 0 1
A=@ 0 0 1 A
<latexit sha1_base64="NbmysVgjx2wXdNibHAuEhmo9Who=">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</latexit>

4[100] 0 0
pontual deste sistema
xx
0 1 0 =@ 0 xx 0 A
0 0 zz
No sistema cúbico, de acordo com o princípio de Neumann
<latexit sha1_base64="+SkfT/ooc3k7KG76VqIUBZXzhHE=">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</latexit>

0 1
0 0
=@ 0 0 A
0 0
a
Partícula num potencial periódico
Princípio de Neum nn

Se o cristal pertencer ao sistema tetragonal, trigonal ou hexagonal…


<latexit sha1_base64="oT9LL5avhybgxXQka9MN8+Sy3hg=">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</latexit>

0 1
0 0
=@ 0
k
0 A …
k
0 0 ?

As “consequências” da simetria pontual são sentidas em todas as grandezas ísicas…

X
Tensor da elasticidade
<latexit sha1_base64="S8HDcq4Z0vKdr+C2OjsmqBPCiqU=">AAACFXicbVDNS8MwHE3n15xfVY9egkPwMEYrfl2E4S4eJ7gPWEtJs3SLS9qSpMIo/Se8+K948aCIV8Gb/43p1oNuPgi8vPd+JL/nx4xKZVnfRmlpeWV1rbxe2djc2t4xd/c6MkoEJm0csUj0fCQJoyFpK6oY6cWCIO4z0vXHzdzvPhAhaRTeqUlMXI6GIQ0oRkpLnllzJB1y5KX0PrtyZMK9dFxjWTMXxixzSCwp08FUXyqeWbXq1hRwkdgFqYICLc/8cgYRTjgJFWZIyr5txcpNkVAUM5JVnESSGOExGpK+piHiRLrpdKsMHmllAINI6BMqOFV/T6SISznhvk5ypEZy3svF/7x+ooJLN6VhnCgS4tlDQcKgimBeERxQQbBiE00QFlT/FeIREggrXWRegj2/8iLpnNTt8/rZ7Wm1cV3UUQYH4BAcAxtcgAa4AS3QBhg8gmfwCt6MJ+PFeDc+ZtGSUczsgz8wPn8AOVGgHg==</latexit>

ij = Cijkl ✏kl <latexit sha1_base64="3CkXc0V9si6KqurP3eB6g0aKfU0=">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</latexit>

0 1
k,l C11 C12 C12 0 0 0
B C12 C11 C12 0 0 0 C
Lei de Hooke
<latexit sha1_base64="83WsPpyT/Sh5tLo7ge45EgVaoIM=">AAACJHicbVDLSsNAFJ34rPVVdekmWARXJRGtgghiNy4r2FZoYriZ3raDM0mYmQgl9GPc+CtuXPjAhRu/xWmaha8LA+eecw937gkTzpR2nA9rZnZufmGxtFReXlldW69sbLZVnEqKLRrzWF6HoJCzCFuaaY7XiUQQIcdOeNuY6J07lIrF0ZUeJegLGESszyhoQwWVE0+xgYDAA54M4dRTqQgyL0QNp+74pt4wTa7k1NjDRDFufHkbVKpOzcnL/gvcAlRJUc2g8ur1YpoKjDTloFTXdRLtZyA1oxzHZS9VmAC9hQF2DYxAoPKz/MixvWuYnt2PpXmRtnP2uyMDodRIhGZSgB6q39qE/E/rprp/7GcsSlKNEZ0u6qfc1rE9SczuMYlU85EBQCUzf7XpECRQbXItmxDc3yf/Be39mluvHV4eVM/OizhKZJvskD3ikiNyRi5Ik7QIJffkkTyTF+vBerLerPfp6IxVeLbIj7I+vwCkPaYR</latexit>

6
X B C
B C12 C12 C11 0 0 0 C
Notação ↵ = C↵ ✏ C=B
B
C
C
B 0 0 0 C44 0 0 C
de Voigt =1
@ 0 0 0 0 C44 0 A
Para um cristal no
sistema cúbico 0 0 0 0 0 C44
a
f
Partícula num potencial periódico
Teorem de Bloch
@
<latexit sha1_base64="pIW/HQKLy50hsVUf1hubCRih8SM=">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</latexit>

~ {~r}, t) = i~
Ĥ ({R}, ~ {~r}, t)
({R}, Eletrões
@t
independentes
X ~2 X ~2 X e2 X 2 X
<latexit sha1_base64="gGu/wZh/3KvfjweyM8SfdHwuOM4=">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</latexit>

z z
I J e 1
Ĥ = r2R~ 2
r~ri + + + V (~ri )
2MI I 2m 4⇡✏ 0 | ~I R
R ~J| 4⇡✏ 0 |~
r i ~
r j |
I i i,j i I,J
Ignora-se, por
enquanto, a dinâmica
dos iões
Iões Eletrões
Energia Energia potencial
potencial eletrão-ião
eletrão-eletrão
Calcopirite (CuFeS2) Energia potencial
V( r)⃗ é uma função
ião-ião
periódica na rede
cristalina
a
Partícula num potencial periódico
Teorem de Bloch

Teorema de Bloch

Os vetores próprios do hamiltoniano


<latexit sha1_base64="luRxvyWZ7gPOo6F/EfvdLBNL00I=">AAAB63icbVBNSwMxEJ2tX7V+VT16CRbBU9kVv45FLx4rWFtol5JNs21okg1JVihL/4IXD4p49Q9589+YbfegrQ8GHu/NMDMvUpwZ6/vfXmlldW19o7xZ2dre2d2r7h88miTVhLZIwhPdibChnEnassxy2lGaYhFx2o7Gt7nffqLasEQ+2ImiocBDyWJGsM2lnjKsX635dX8GtEyCgtSgQLNf/eoNEpIKKi3h2Jhu4CsbZlhbRjidVnqpoQqTMR7SrqMSC2rCbHbrFJ04ZYDiRLuSFs3U3xMZFsZMROQ6BbYjs+jl4n9eN7XxdZgxqVJLJZkvilOObILyx9GAaUosnziCiWbuVkRGWGNiXTwVF0Kw+PIyeTyrB5f1i/vzWuOmiKMMR3AMpxDAFTTgDprQAgIjeIZXePOE9+K9ex/z1pJXzBzCH3ifPyd/jlQ=</latexit>

(de um eletrão, visto que se assumem eletrões independentes)


~2
<latexit sha1_base64="a2NzCZCmZOp6GuL0M8Fzbc6vr8A=">AAACFXicbVDLSsNAFJ34rPVVdelmsAgVtSTF10YQ3bhUsA9o2nIzndihk0mYmRRKyE+48VfcuFDEreDOv3Fas9DWAxcO59zLvfd4EWdK2/aXNTM7N7+wmFvKL6+srq0XNjZrKowloVUS8lA2PFCUM0GrmmlOG5GkEHic1r3+1civD6hULBR3ehjRVgD3gvmMgDZSp3Dg9kDj6/ND15dAErfngWxX0qQSpK4Aj0O7sl8ruQNKsNzrFIp22R4DTxMnI0WU4aZT+HS7IYkDKjThoFTTsSPdSkBqRjhN826saASkD/e0aaiAgKpWMv4qxbtG6WI/lKaExmP190QCgVLDwDOdAeiemvRG4n9eM9b+WSthIoo1FeRnkR9zrEM8igh3maRE86EhQCQzt2LSAxOPNkHmTQjO5MvTpFYpOyfl49uj4sVlFkcObaMdVEIOOkUX6BrdoCoi6AE9oRf0aj1az9ab9f7TOmNlM1voD6yPb42KndA=</latexit>

2
Ĥ = r + V (~r)
2m
onde V (~r) = V (~r + R),
~ 8R~ de uma rede de Bravais
<latexit sha1_base64="tfFgPG6tsA5rlPnMcVWKlqLyqv4=">AAACFXicbZBLS8NAEMc3Pmt9RT16WSxCi6Uk4usiFL14rGIf0ISy2W7apZtN2N0USuiX8OJX8eJBEa+CN7+N2zSCtg4s++M/M8zM34sYlcqyvoyFxaXlldXcWn59Y3Nr29zZbcgwFpjUcchC0fKQJIxyUldUMdKKBEGBx0jTG1xP8s0hEZKG/F6NIuIGqMepTzFSWuqY5UbRGRIMRenyh47S765UdqDjhwIxpiGVOmbBqlhpwHmwMyiALGod89PphjgOCFeYISnbthUpN0FCUczIOO/EkkQID1CPtDVyFBDpJulVY3iolS7UG+jHFUzV3x0JCqQcBZ6uDJDqy9ncRPwv146Vf+EmlEexIhxPB/kxgyqEE4tglwqCFRtpQFhQvSvEfSQQVtrIvDbBnj15HhrHFfuscnp7UqheZXbkwD44AEVgg3NQBTegBuoAgwfwBF7Aq/FoPBtvxvu0dMHIevbAnzA+vgGG3pyT</latexit>

podem sempre ser escritos como o produto de uma onda plana


por uma função com a periodicidade da rede de Bravais
i~
<latexit sha1_base64="BHuV1Js1DJn+nfHdh/hZqbQQ9Ds=">AAACMHicbVDLSgMxFM34tr6qLt0Ei1A3ZUZ8bYSiC10qWCt0xpJJbzU0kwxJpliG+SQ3fopuFBRx61eYdmah1gMhh3PuIbknjDnTxnVfnYnJqemZ2bn50sLi0vJKeXXtSstEUWhQyaW6DokGzgQ0DDMcrmMFJAo5NMPeydBv9kFpJsWlGcQQRORWsC6jxFipXT71Y83aqfD7QHEvq45utX3kR6G8TyG7SVlu+bQjTe5myXigXa64NXcEPE68glRQgfN2+cnvSJpEIAzlROuW58YmSIkyjHLISn6iISa0R26hZakgEeggHS2c4S2rdHBXKnuEwSP1ZyIlkdaDKLSTETF3+q83FP/zWonpHgYpE3FiQND8oW7CsZF42B7uMAXU8IElhCpm/4rpHVGEGttxyZbg/V15nFzt1Lz92t7FbqV+XNQxhzbQJqoiDx2gOjpD56iBKHpAz+gNvTuPzovz4XzmoxNOkVlHv+B8fQP/xqoo</latexit>

k·~
r
~
nk (~
r ) =e un~k (~r)
~ de uma rede de Bravais
~ = u ~ (~r), 8 R
<latexit sha1_base64="ML+L08e6CxFLASTCHjo2LIerbhA=">AAACKXicbVDLSsNAFJ34rPUVdelmsAgtSknE10YounFZxT6gCWEynbRDJ5MwMymU0N9x46+4UVDUrT/iNM1CWw8M93DOvcy9x48ZlcqyPo2FxaXlldXCWnF9Y3Nr29zZbcooEZg0cMQi0faRJIxy0lBUMdKOBUGhz0jLH9xM/NaQCEkj/qBGMXFD1OM0oBgpLXlmLfFS7gwJhoNxOaviKCv3lat5q3LsQCeIBGJMk6zNM0tW1coA54mdkxLIUffMV6cb4SQkXGGGpOzYVqzcFAlFMSPjopNIEiM8QD3S0ZSjkEg3zS4dw0OtdKHeQD+uYKb+nkhRKOUo9HVniFRfznoT8T+vk6jg0k0pjxNFOJ5+FCQMqghOYoNdKghWbKQJwoLqXSHuI4Gw0uEWdQj27MnzpHlStc+rZ3enpdp1HkcB7IMDUAY2uAA1cAvqoAEweATP4A28G0/Gi/FhfE1bF4x8Zg/8gfH9A1EapW0=</latexit>

un~k (~r + R) nk
a
Partícula num potencial periódico
Teorem de Bloch

i~
<latexit sha1_base64="13O0cdpgRmLzKaZvFn/z+/6Q3ns=">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</latexit>

i~ ~
<latexit sha1_base64="BHuV1Js1DJn+nfHdh/hZqbQQ9Ds=">AAACMHicbVDLSgMxFM34tr6qLt0Ei1A3ZUZ8bYSiC10qWCt0xpJJbzU0kwxJpliG+SQ3fopuFBRx61eYdmah1gMhh3PuIbknjDnTxnVfnYnJqemZ2bn50sLi0vJKeXXtSstEUWhQyaW6DokGzgQ0DDMcrmMFJAo5NMPeydBv9kFpJsWlGcQQRORWsC6jxFipXT71Y83aqfD7QHEvq45utX3kR6G8TyG7SVlu+bQjTe5myXigXa64NXcEPE68glRQgfN2+cnvSJpEIAzlROuW58YmSIkyjHLISn6iISa0R26hZakgEeggHS2c4S2rdHBXKnuEwSP1ZyIlkdaDKLSTETF3+q83FP/zWonpHgYpE3FiQND8oW7CsZF42B7uMAXU8IElhCpm/4rpHVGEGttxyZbg/V15nFzt1Lz92t7FbqV+XNQxhzbQJqoiDx2gOjpD56iBKHpAz+gNvTuPzovz4XzmoxNOkVlHv+B8fQP/xqoo</latexit>

~ = u ~ (~r), 8 R
~
<latexit sha1_base64="ML+L08e6CxFLASTCHjo2LIerbhA=">AAACKXicbVDLSsNAFJ34rPUVdelmsAgtSknE10YounFZxT6gCWEynbRDJ5MwMymU0N9x46+4UVDUrT/iNM1CWw8M93DOvcy9x48ZlcqyPo2FxaXlldXCWnF9Y3Nr29zZbcooEZg0cMQi0faRJIxy0lBUMdKOBUGhz0jLH9xM/NaQCEkj/qBGMXFD1OM0oBgpLXlmLfFS7gwJhoNxOaviKCv3lat5q3LsQCeIBGJMk6zNM0tW1coA54mdkxLIUffMV6cb4SQkXGGGpOzYVqzcFAlFMSPjopNIEiM8QD3S0ZSjkEg3zS4dw0OtdKHeQD+uYKb+nkhRKOUo9HVniFRfznoT8T+vk6jg0k0pjxNFOJ5+FCQMqghOYoNdKghWbKQJwoLqXSHuI4Gw0uEWdQj27MnzpHlStc+rZ3enpdp1HkcB7IMDUAY2uAA1cAvqoAEweATP4A28G0/Gi/FhfE1bF4x8Zg/8gfH9A1EapW0=</latexit>

k·~
r un~k (~r + R) ~ k·R ~
8R
k (~
n~ r) = e un~k (~r) nk k (~
n~ r + R) = e k (~
n~ r),

… de uma rede de Bravais

É “trivial” demonstrar este teorema recorrendo a qualquer uma das duas


demonstrações efetuadas para o caso unidimensional…

Há apenas uma “complicação” ao passar de 1 para 3 dimensões…


a
Partícula num potencial periódico
Teorem de Bloch

Teorema de Bloch
i~
<latexit sha1_base64="AIxdP64HcYtONAfcizjtRCEbAoE=">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</latexit>

~ ~
k·R
ikd k (~
n~ r + R) = e k (~
n~ r)
<latexit sha1_base64="2RRElZRfUdHu/9f0IxklIrUXwAY=">AAACCHicbVDLSsNAFJ34rPUVdenC0CK0FEoi+NgIRTcuK9gHNLFMJtN26GQSZibSELJ049q/cONCEbd+grv+jdOmC209cOFwzr3ce48bUiKkaY61peWV1bX13EZ+c2t7Z1ff22+KIOIIN1BAA952ocCUMNyQRFLcDjmGvktxyx1eT/zWA+aCBOxOxiF2fNhnpEcQlErq6kd2KEhpVPHKl7bvBqMEp/cJGXppppe7etGsmlMYi8SakWKtYFeex7W43tW/bS9AkY+ZRBQK0bHMUDoJ5JIgitO8HQkcQjSEfdxRlEEfCyeZPpIax0rxjF7AVTFpTNXfEwn0hYh9V3X6UA7EvDcR//M6kexdOAlhYSQxQ9miXkQNGRiTVAyPcIwkjRWBiBN1q4EGkEMkVXZ5FYI1//IiaZ5UrbPq6a1K4wpkyIFDUAAlYIFzUAM3oA4aAIFH8ALewLv2pL1qH9pn1rqkzWYOwB9oXz97Wpyh</latexit>

(x + d) = e (x)
(d = na, n 2 Z, k 2 R) ~a1 , ~a2 , ~a3 são os vetores unitários da rede de Bravais
<latexit sha1_base64="jy5BOQ5fgHVtkCVEWV8CHWLpz1I=">AAACDXicbVDLSsNAFJ3UV62vqEs3oVWoWEoi+NgIRTcuq9gHNqFMJtN26GQSZiZCCPkBN278EDcuFHHr3l3/xknbRa0eGDhzzr3ce48bUiKkaY603MLi0vJKfrWwtr6xuaVv7zRFEHGEGyigAW+7UGBKGG5IIiluhxxD36W45Q6vMr/1gLkgAbuTcYgdH/YZ6REEpZK6+n7Zu2CwwmzCbB/Kgesm92llOPO9TQ+7esmsmmMYf4k1JaVa0T56HtXielf/tr0ART5mElEoRMcyQ+kkkEuCKE4LdiRwCNEQ9nFHUQZ9LJxkfE1qHCjFM3oBV49JY6zOdiTQFyL2XVWZrSjmvUz8z+tEsnfuJISFkcQMTQb1ImrIwMiiMTzCMZI0VgQiTtSuBhpADpFUARZUCNb8yX9J87hqnVZPblQal2CCPNgDRVAGFjgDNXAN6qABEHgEL+ANvGtP2qv2oX1OSnPatGcX/IL29QNCsJ6w</latexit>

<latexit sha1_base64="HOr/xNngXuRTpfIEcs9YvP13lMw=">AAACB3icbZDLSsNAFIZPvNZ6i7oUZLAILqQk9bosunFZwV6gCWEynbRDJxdmJoUSunPjq7hxoYhbX8Gdb+O0DaitPwx8/OcczpzfTziTyrK+jIXFpeWV1cJacX1jc2vb3NltyDgVhNZJzGPR8rGknEW0rpjitJUIikOf06bfvxnXmwMqJIujezVMqBvibsQCRrDSlmceOANKEPbsEwflWPnBU88sWWVrIjQPdg4lyFXzzE+nE5M0pJEiHEvZtq1EuRkWihFOR0UnlTTBpI+7tK0xwiGVbja5Y4SOtNNBQSz0ixSauL8nMhxKOQx93Rli1ZOztbH5X62dquDKzViUpIpGZLooSDlSMRqHgjpMUKL4UAMmgum/ItLDAhOloyvqEOzZk+ehUSnbF+Xzu7NS9TqPowD7cAjHYMMlVOEWalAHAg/wBC/wajwaz8ab8T5tXTDymT34I+PjG4yslzU=</latexit>

~ = n1~a1 + n2~a2 + n3~a3


<latexit sha1_base64="rveGZzA5LqFsJRoTzTGUx6bz7no=">AAACE3icbZDLSgMxFIbPeK31VnXpJlgEUSgzrbeNUHTjsoq9QDsMmTTThmYyQ5IplNJ3cOOruHGhiFs37nwb03YW2vpD4OM/53Byfj/mTGnb/rYWFpeWV1Yza9n1jc2t7dzObk1FiSS0SiIeyYaPFeVM0KpmmtNGLCkOfU7rfu9mXK/3qVQsEg96EFM3xB3BAkawNpaXO271KUH3V8JzJoQ950R4xZSLhkspl7xc3i7YE6F5cFLIQ6qKl/tqtSOShFRowrFSTceOtTvEUjPC6SjbShSNMenhDm0aFDikyh1ObhqhQ+O0URBJ84RGE/f3xBCHSg1C33SGWHfVbG1s/ldrJjq4dIdMxImmgkwXBQlHOkLjgFCbSUo0HxjARDLzV0S6WGKiTYxZE4Ize/I81IoF57xwdneaL1+ncWRgHw7gCBy4gDLcQgWqQOARnuEV3qwn68V6tz6mrQtWOrMHf2R9/gBheJv5</latexit>

R n1 , n 2 , n 3 2 N
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k = ⇣b
<latexit sha1_base64="3JqtsA+KNbk7ANpNKMsNuvmMHd8=">AAAB8HicbVDJSgNBEO2JW4xb1KMijUHwFGYEl4sQ9OIxAbNIMoSeTk3SpLtn6O4RYsjRL/DiQRGvfkG+w5vf4E/YWQ6a+KDg8V4VVfWCmDNtXPfLSS0sLi2vpFcza+sbm1vZ7Z2KjhJFoUwjHqlaQDRwJqFsmOFQixUQEXCoBt3rkV+9B6VZJG9NLwZfkLZkIaPEWOmue9l4AENw0Mzm3Lw7Bp4n3pTkCvvD0vfjwbDYzH42WhFNBEhDOdG67rmx8ftEGUY5DDKNRENMaJe0oW6pJAK03x8fPMBHVmnhMFK2pMFj9fdEnwiteyKwnYKYjp71RuJ/Xj0x4YXfZzJODEg6WRQmHJsIj77HLaaAGt6zhFDF7K2Ydogi1NiMMjYEb/bleVI5yXtn+dOSTeMKTZBGe+gQHSMPnaMCukFFVEYUCfSEXtCro5xn5815n7SmnOnMLvoD5+MHOZGTvw==</latexit>

2⇡ Esta maneira de escrever k foi


<latexit sha1_base64="02BpLHWC+/NzwQckEKUr3Mo8SN4=">AAAB+XicbVDLSsNAFL2pr1pfURciboJFcFWSgtqNUHTjsoJ9QBPKZDpph04mYWZSKCF/4saFIm79EXGnG7d+htPHQlsPXDiccy/33uPHjEpl2x9Gbml5ZXUtv17Y2Nza3jF39xoySgQmdRyxSLR8JAmjnNQVVYy0YkFQ6DPS9AfXY785JELSiN+pUUy8EPU4DShGSksd0/Qv3UAgnJbdmGYpyjpm0S7ZE1iLxJmRYrXy9Xbw+X1Y65jvbjfCSUi4wgxJ2XbsWHkpEopiRrKCm0gSIzxAPdLWlKOQSC+dXJ5ZJ1rpWkEkdHFlTdTfEykKpRyFvu4MkerLeW8s/ue1ExVUvJTyOFGE4+miIGGWiqxxDFaXCoIVG2mCsKD6Vgv3kQ5C6bAKOgRn/uVF0iiXnPPS2a1O4wqmyMMRHMMpOHABVbiBGtQBwxDu4RGejNR4MJ6Nl2lrzpjN7MMfGK8/FLGXuQ==</latexit>

b=
a  
<latexit sha1_base64="4Htk3IkACq6ihNGYXcw4hc7Z5gc=">AAACN3icbVDLThsxFPXwKoRXoMtuLBASixDNIEG7QQK6YRVRqQHEOIo8zp3EwvaM7DuVwmi+Cjbd9CO6K1LFolXVbf+gTsKC15EsHZ9zr+xzklxJh2H4I5ianpmdezO/UFtcWl5Zra+tn7mssALaIlOZvUi4AyUNtFGigovcAteJgvPk6uPIP/8C1snMfMZhDh3N+0amUnD0UrfeYteA/ICllotSV2WrYrTBqGbSMM1xkCTlZdUYXxWkGO9MJltVuVs1HnFmZX+Acbe+GTbDMehLEj2QzcOj8Obn2jdz2q1/Z71MFBoMCsWdi6Mwx07JLUqhoKqxwkHOxRXvQ+yp4RpcpxznruiWV3o0zaw/BulYfbxRcu3cUCd+cpTFPfdG4mteXGD6oVNKkxcIRkweSgtFMaOjEmlPWhCohp5wYaX/KxUD7stAX3XNlxA9j/ySnO02o/3m3iffxjGZYJ68Ixtkm0TkPTkkJ+SUtIkgt+SO/CK/g6/BffAn+DsZnQoedt6SJwj+/QeCFbE3</latexit>

“escolhida”, não era obrigatória…


m N N
⇣= , m 2 Z, m 2 ,
N 2 2 Condições fronteira de Born-von Karman

Teorema de Bloch
i~
<latexit sha1_base64="BHuV1Js1DJn+nfHdh/hZqbQQ9Ds=">AAACMHicbVDLSgMxFM34tr6qLt0Ei1A3ZUZ8bYSiC10qWCt0xpJJbzU0kwxJpliG+SQ3fopuFBRx61eYdmah1gMhh3PuIbknjDnTxnVfnYnJqemZ2bn50sLi0vJKeXXtSstEUWhQyaW6DokGzgQ0DDMcrmMFJAo5NMPeydBv9kFpJsWlGcQQRORWsC6jxFipXT71Y83aqfD7QHEvq45utX3kR6G8TyG7SVlu+bQjTe5myXigXa64NXcEPE68glRQgfN2+cnvSJpEIAzlROuW58YmSIkyjHLISn6iISa0R26hZakgEeggHS2c4S2rdHBXKnuEwSP1ZyIlkdaDKLSTETF3+q83FP/zWonpHgYpE3FiQND8oW7CsZF42B7uMAXU8IElhCpm/4rpHVGEGttxyZbg/V15nFzt1Lz92t7FbqV+XNQxhzbQJqoiDx2gOjpD56iBKHpAz+gNvTuPzovz4XzmoxNOkVlHv+B8fQP/xqoo</latexit>

k·~
r
ikx (~
r ) =e un~k (~r)
<latexit sha1_base64="7Az53LnGTC5do95QTAyiDLHJhHA=">AAACA3icbVDLSsNAFJ3UV62vqDvdDC1CRSiJ4GMjFN24rGAf0MQymU7aoZNMmJlIQwi48Q/8BjcuFHHrT7jr3zh9LLR64MLhnHu59x4vYlQqyxoZuYXFpeWV/GphbX1jc8vc3mlIHgtM6pgzLloekoTRkNQVVYy0IkFQ4DHS9AZXY795T4SkPLxVSUTcAPVC6lOMlJY65p4TSVoeHl44gceHKcnuUjoYZrGWOmbJqlgTwL/EnpFStegcPY2qSa1jfjldjuOAhAozJGXbtiLlpkgoihnJCk4sSYTwAPVIW9MQBUS66eSHDB5opQt9LnSFCk7UnxMpCqRMAk93Bkj15bw3Fv/z2rHyz92UhlGsSIini/yYQcXhOBDYpYJgxRJNEBZU3wpxHwmElY6toEOw51/+SxrHFfu0cnKj07gEU+TBPiiCMrDBGaiCa1ADdYDBA3gGr+DNeDRejHfjY9qaM2Yzu+AXjM9vBCeawQ==</latexit>

(x) = e u(x) ~
nk
<latexit sha1_base64="3yKQBNDfs368QPLqHF1uElFKBgo=">AAAB83icbVDJSgNBEK2JW4xb1KOXIUFICIQZweUiBL14jGAWyAyhp9OTNOnpGXoRw5C/EC8eFPHqz3jL39hZDpr4oKjHe1V09QsSRqVynImVWVvf2NzKbud2dvf2D/KHR00Za4FJA8csFu0AScIoJw1FFSPtRBAUBYy0guHt1G89EiFpzB/UKCF+hPqchhQjZSRPl54qHJWvTS9380Wn6sxgrxJ3QYq1gld5ntRG9W7+2+vFWEeEK8yQlB3XSZSfIqEoZmSc87QkCcJD1CcdQzmKiPTT2c1j+9QoPTuMhSmu7Jn6eyNFkZSjKDCTEVIDuexNxf+8jlbhlZ9SnmhFOJ4/FGpmq9ieBmD3qCBYsZEhCAtqbrXxAAmElYkpZ0Jwl7+8SppnVfeien5v0riBObJwAgUogQuXUIM7qEMDMCTwAm/wbmnr1fqwPuejGWuxcwx/YH39AJWIk7o=</latexit>

u(x + na) = u(x)


~ = u ~ (~r)
<latexit sha1_base64="IBySOqSKdj+3GlBV3ujarWZL5Po=">AAACF3icbVDLSsNAFJ3UV62vqEs3g0VoEUIivjZC0Y3LKvYBbQiT6aQdOpmEmUmhhP6FG3/FjQtF3OrOv3GaZqGtB4Z7OOde7tzjx4xKZdvfRmFpeWV1rbhe2tjc2t4xd/eaMkoEJg0csUi0fSQJo5w0FFWMtGNBUOgz0vKHN1O/NSJC0og/qHFM3BD1OQ0oRkpLnmklXsq7I4LhcFLJqjjOyn31atGqembZtuwMcJE4OSmDHHXP/Or2IpyEhCvMkJQdx46VmyKhKGZkUuomksQID1GfdDTlKCTSTbO7JvBIKz0YREI/rmCm/p5IUSjlOPR1Z4jUQM57U/E/r5Oo4NJNKY8TRTieLQoSBlUEpyHBHhUEKzbWBGFB9V8hHiCBsNJRlnQIzvzJi6R5Yjnn1tndabl2ncdRBAfgEFSAAy5ADdyCOmgADB7BM3gFb8aT8WK8Gx+z1oKRz+yDPzA+fwAuhJ6t</latexit>

un~k (~r + R)
(n 2 Z, k 2 R) nk
<latexit sha1_base64="ltoYb6DZOj0mPH4cFvMJlLCRCQI=">AAACCHicbVC7TsMwFHXKq5RXgJEBqxVSEahKkHiMFSyMBdGHaKLKcZ1i1XEi20GKoo4szPwFCwMIsfIJbP0bnLZDaTmSpeNz7tW993gRo1JZ1tDILSwuLa/kVwtr6xubW+b2TkOGscCkjkMWipaHJGGUk7qiipFWJAgKPEaaXv8q85uPREga8juVRMQNUI9Tn2KktNQx98vcodwJkHrwvPR+cNyf+t4ODjtmyapYI8B5Yk9IqVp0jl6G1aTWMX+cbojjgHCFGZKybVuRclMkFMWMDApOLEmEcB/1SFtTjgIi3XR0yAAeaKUL/VDoxxUcqdMdKQqkTAJPV2YrylkvE//z2rHyL9yU8ihWhOPxID9mUIUwSwV2qSBYsUQThAXVu0L8gATCSmdX0CHYsyfPk8ZJxT6rnN7oNC7BGHmwB4qgDGxwDqrgGtRAHWDwBF7BO/gwno0349P4GpfmjEnPLvgD4/sX4yGc4g==</latexit>
a
Partícula num potencial periódico
Rede diret

A rede direta é o conjunto de todos os pontos


~ = n1~a1 + n2~a2 + n3~a3
<latexit sha1_base64="rveGZzA5LqFsJRoTzTGUx6bz7no=">AAACE3icbZDLSgMxFIbPeK31VnXpJlgEUSgzrbeNUHTjsoq9QDsMmTTThmYyQ5IplNJ3cOOruHGhiFs37nwb03YW2vpD4OM/53Byfj/mTGnb/rYWFpeWV1Yza9n1jc2t7dzObk1FiSS0SiIeyYaPFeVM0KpmmtNGLCkOfU7rfu9mXK/3qVQsEg96EFM3xB3BAkawNpaXO271KUH3V8JzJoQ950R4xZSLhkspl7xc3i7YE6F5cFLIQ6qKl/tqtSOShFRowrFSTceOtTvEUjPC6SjbShSNMenhDm0aFDikyh1ObhqhQ+O0URBJ84RGE/f3xBCHSg1C33SGWHfVbG1s/ldrJjq4dIdMxImmgkwXBQlHOkLjgFCbSUo0HxjARDLzV0S6WGKiTYxZE4Ize/I81IoF57xwdneaL1+ncWRgHw7gCBy4gDLcQgWqQOARnuEV3qwn68V6tz6mrQtWOrMHf2R9/gBheJv5</latexit>

R n1 , n 2 , n 3 2 N
<latexit sha1_base64="q04mzcARG137Ee9TdPNhQC0IFew=">AAACB3icbVDLSsNAFJ3UV62vqEtBBovgopSkPpdFN66kgq2FJoTJdNIOnUzCzEQooTs3/oobF4q49Rfc+TdO0iy09cAMh3Pu5d57/JhRqSzr2ygtLC4tr5RXK2vrG5tb5vZOR0aJwKSNIxaJro8kYZSTtqKKkW4sCAp9Ru790VXm3z8QIWnE79Q4Jm6IBpwGFCOlJc/c555dc2rca+T/sQMdyp0QqaHvpzcTz6xadSsHnCd2QaqgQMszv5x+hJOQcIUZkrJnW7FyUyQUxYxMKk4iSYzwCA1IT1OOQiLdNL9jAg+10odBJPTjCubq744UhVKOQ19XZhvKWS8T//N6iQou3JTyOFGE4+mgIGFQRTALBfapIFixsSYIC6p3hXiIBMJKR1fRIdizJ8+TTqNun9VPb0+qzcsijjLYAwfgCNjgHDTBNWiBNsDgETyDV/BmPBkvxrvxMS0tGUXPLvgD4/MHxPWYBQ==</latexit>

X ⇣ ⌘
Podemos de nir uma função “densidade de pontos da rede direta” através de ⇢(~r) =
<latexit sha1_base64="B/FAGQOUZZpTSmk43CLkeETrMvA=">AAACI3icbVDLSgMxFM34tr6qLt0Ei1AXlhnxhSCIblyq2Ad0Sslk7nRCMw+SO0IZ+i9u/BU3LhRx48J/MW1n4etA4OScc0nu8VIpNNr2hzU1PTM7N7+wWFpaXlldK69vNHSSKQ51nshEtTymQYoY6ihQQitVwCJPQtPrX4785j0oLZL4DgcpdCLWi0UgOEMjdcunrgqTqnsPnKrdM1dnUTcf326Hrg8SmSshwCKwN3FcJXoh7nbLFbtmj0H/EqcgFVLgult+c/2EZxHEyCXTuu3YKXZyplBwCcOSm2lIGe+zHrQNjVkEupOPdxzSHaP4NEiUOTHSsfp9ImeR1oPIM8mIYah/eyPxP6+dYXDSyUWcZggxnzwUZJJiQkeFUV8o4CgHhjCuhPkr5SFTjKOptWRKcH6v/Jc09mvOUe3w5qByflHUsUC2yDapEocck3NyRa5JnXDyQJ7IC3m1Hq1n6816n0SnrGJmk/yA9fkFPuCkCQ==</latexit>

~r ~
R
~
R

A transformada de Fourier desta função é


<latexit sha1_base64="51REobCsc3Cc6jgtHoeqGPof41E=">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</latexit>

Z <latexit sha1_base64="lTIHMp1zG/1zSnPkOHYP2+o/daQ=">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</latexit>

XZ ⇣ ⌘ X
i~ i~ i~ ~
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⇢˜(~k) = k·~
r k·~
r ~ = k·R
eik⋅⃗ R ⃗
d~r e ⇢(~r) = d~r e ~r R e
~ ~
=1
R R

Esta soma é nula exceto quando, para todas as parcelas da soma, ~k · R


~ = 2⇡n, n 2 N
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Se não for assim, os termos da soma oscilam e anulam-se mutuamente


i~
<latexit sha1_base64="bJLyBefhbE5AXbEqkhMlAag6Gw0=">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</latexit>

~ ~
k·R ~
⇢˜(k) 6= 0 ) e = 1, 8R
a
fi
Partícula num potencial periódico
Rede recíproc


Um ponto G é um ponto da rede recíproca se e só se
~ R~
<latexit sha1_base64="qfpEYP5kJdPxepv5DF4hhWhBBoA=">AAACCHicbZC7SgNBFIZn4y3GW9TSwsEgWIVd8dYIQQsto5gLZGOYnZwkQ2Z3lpnZYFhS2vgqNhaK2PoIdr6Nk80WmvjDwMd/zuHM+b2QM6Vt+9vKzM0vLC5ll3Mrq2vrG/nNraoSkaRQoYILWfeIAs4CqGimOdRDCcT3ONS8/uW4XhuAVEwEd3oYQtMn3YB1GCXaWK38rut74iGG0X3M3AFQfOXSttAJ3o7OnVa+YBftRHgWnBQKKFW5lf9y24JGPgSacqJUw7FD3YyJ1IxyGOXcSEFIaJ90oWEwID6oZpwcMsL7xmnjjpDmBRon7u+JmPhKDX3PdPpE99R0bWz+V2tEunPWjFkQRhoCOlnUiTjWAo9TwW0mgWo+NECoZOavmPaIJFSb7HImBGf65FmoHhadk+LxzVGhdJHGkUU7aA8dIAedohK6RmVUQRQ9omf0it6sJ+vFerc+Jq0ZK53ZRn9kff4Ac6WZmg==</latexit>

iG·
e =1
para todos os pontos R ⃗ da rede direta

~ = n1~a1 + n2~a2 + n3~a3 Para uma rede tridimensional


<latexit sha1_base64="rveGZzA5LqFsJRoTzTGUx6bz7no=">AAACE3icbZDLSgMxFIbPeK31VnXpJlgEUSgzrbeNUHTjsoq9QDsMmTTThmYyQ5IplNJ3cOOruHGhiFs37nwb03YW2vpD4OM/53Byfj/mTGnb/rYWFpeWV1Yza9n1jc2t7dzObk1FiSS0SiIeyYaPFeVM0KpmmtNGLCkOfU7rfu9mXK/3qVQsEg96EFM3xB3BAkawNpaXO271KUH3V8JzJoQ950R4xZSLhkspl7xc3i7YE6F5cFLIQ6qKl/tqtSOShFRowrFSTceOtTvEUjPC6SjbShSNMenhDm0aFDikyh1ObhqhQ+O0URBJ84RGE/f3xBCHSg1C33SGWHfVbG1s/ldrJjq4dIdMxImmgkwXBQlHOkLjgFCbSUo0HxjARDLzV0S6WGKiTYxZE4Ize/I81IoF57xwdneaL1+ncWRgHw7gCBy4gDLcQgWqQOARnuEV3qwn68V6tz6mrQtWOrMHf2R9/gBheJv5</latexit>

R n1 , n 2 , n 3 2 N
<latexit sha1_base64="q04mzcARG137Ee9TdPNhQC0IFew=">AAACB3icbVDLSsNAFJ3UV62vqEtBBovgopSkPpdFN66kgq2FJoTJdNIOnUzCzEQooTs3/oobF4q49Rfc+TdO0iy09cAMh3Pu5d57/JhRqSzr2ygtLC4tr5RXK2vrG5tb5vZOR0aJwKSNIxaJro8kYZSTtqKKkW4sCAp9Ru790VXm3z8QIWnE79Q4Jm6IBpwGFCOlJc/c555dc2rca+T/sQMdyp0QqaHvpzcTz6xadSsHnCd2QaqgQMszv5x+hJOQcIUZkrJnW7FyUyQUxYxMKk4iSYzwCA1IT1OOQiLdNL9jAg+10odBJPTjCubq744UhVKOQ19XZhvKWS8T//N6iQou3JTyOFGE4+mgIGFQRTALBfapIFixsSYIC6p3hXiIBMJKR1fRIdizJ8+TTqNun9VPb0+qzcsijjLYAwfgCNjgHDTBNWiBNsDgETyDV/BmPBkvxrvxMS0tGUXPLvgD4/MHxPWYBQ==</latexit>

) ~ai · ~bj = 2⇡
<latexit sha1_base64="Ohg/frvqQCVw2VPGjGIlpU5tePI=">AAACG3icbVA9axtBEN1T7ESWnURJSjeLRcCVuBP5agIiaVIqxvoAnTjm9kbSSnu3x+6cgzj0P9Lkr6RJYRNSBVL433j1UdhSHgy8fW+GnXlxrqQl37/1Ko8ODh8/qR7Vjk+ePntef/GyZ3VhBHaFVtoMYrCoZIZdkqRwkBuENFbYj+efV37/Co2VOrukRY6jFCaZHEsB5KSo3gov5GRKYIz+FvLwCgWHSIYi0bR+xNHsYyvMZZigIohKOVtG9Ybf9Nfg+yTYkgbbohPV/4aJFkWKGQkF1g4DP6dRCYakULishYXFHMQcJjh0NIMU7ahc37bkr52S8LE2rjLia/X+RAmptYs0dp0p0NTueivxf96woPGHUSmzvCDMxOajcaE4ab4KiifSoCC1cASEkW5XLqZgQJCLs+ZCCHZP3ie9VjN413z79U2j/WkbR5WdsjN2zgL2nrXZF9ZhXSbYd/aTXbMb74f3y/vt/dm0VrztzCv2AN6/O2jloaw=</latexit>

ij
~
a ⇥ ~
a
<latexit sha1_base64="ZAv0APXCSF+g4iJTiBhtAuGtuXI=">AAACOnicbVC7SgNBFJ2NrxhfUUubwSDEJuzGZyMEbSwTMA/IhmV2MpsMmX0wczcQlnyXjV9hZ2FjoYitH+AkWUGTHBg495x7uXOPGwmuwDRfjMzK6tr6RnYzt7W9s7uX3z9oqDCWlNVpKELZcoliggesDhwEa0WSEd8VrOkO7iZ+c8ik4mHwAKOIdXzSC7jHKQEtOfmaPWQUu451U7YjbnuS0GQqEadsA/eZSquz8a9u2bQbQnF51+nYyRfMkjkFXiRWSgooRdXJP9vdkMY+C4AKolTbMiPoJEQCp4KNc3asWETogPRYW9OA6HWdZHr6GJ9opYu9UOoXAJ6qfycS4is18l3d6RPoq3lvIi7z2jF4152EB1EMLKCzRV4sMIR4kiPucskoiJEmhEqu/4ppn+j4QKed0yFY8ycvkka5ZF2WLmrnhcptGkcWHaFjVEQWukIVdI+qqI4oekSv6B19GE/Gm/FpfM1aM0Y6c4j+wfj+Aa8FrMc=</latexit>

~ = m1~b1 + m2~b2 + m3~b3


<latexit sha1_base64="XEaUNntam9qq1lnTps4HCpe5q2A=">AAACE3icbZDLSgMxFIYzXmu9jbp0EyyCKJSZ1ttGKLrQZQV7gXYYMmmmDU0yQ5IplNJ3cOOruHGhiFs37nwb0+kstPWHwMd/zuHk/EHMqNKO820tLC4tr6zm1vLrG5tb2/bObl1FicSkhiMWyWaAFGFUkJqmmpFmLAniASONoH8zqTcGRCoaiQc9jInHUVfQkGKkjeXbx+0BwfD2ivtuSoHvnnC/lHHJcDnjsm8XnKKTCs6Dm0EBZKr69le7E+GEE6ExQ0q1XCfW3ghJTTEj43w7USRGuI+6pGVQIE6UN0pvGsND43RgGEnzhIap+3tihLhSQx6YTo50T83WJuZ/tVaiw0tvREWcaCLwdFGYMKgjOAkIdqgkWLOhAYQlNX+FuIckwtrEmDchuLMnz0O9VHTPi2f3p4XKdRZHDuyDA3AEXHABKuAOVEENYPAInsEreLOerBfr3fqYti5Y2cwe+CPr8wdPKJvu</latexit>

G m1 , m 2 , m 3 2 N
<latexit sha1_base64="T/qGlGECDjgWDqQ093N9tpbw2x8=">AAACB3icbVDLSgMxFM3UV62vqktBgkVwUcpMfS6LblxJBVsLnWHIpJk2NMkMSUYoQ3du/BU3LhRx6y+4829Mp7PQ1gMJh3Pu5d57gphRpW372yosLC4trxRXS2vrG5tb5e2dtooSiUkLRyySnQApwqggLU01I51YEsQDRu6D4dXEv38gUtFI3OlRTDyO+oKGFCNtJL+8z32n6la5X8/+Yxe6VLgc6UEQpDdjv1yxa3YGOE+cnFRAjqZf/nJ7EU44ERozpFTXsWPtpUhqihkZl9xEkRjhIeqTrqECcaK8NLtjDA+N0oNhJM0TGmbq744UcaVGPDCVkw3VrDcR//O6iQ4vvJSKONFE4OmgMGFQR3ASCuxRSbBmI0MQltTsCvEASYS1ia5kQnBmT54n7XrNOaud3p5UGpd5HEWwBw7AEXDAOWiAa9AELYDBI3gGr+DNerJerHfrY1pasPKeXfAH1ucPwCSYAg==</latexit>

~b1 = 2⇡ 2 3

(se é uma rede, de ne-se algo semelhante


~a1 · (~a2 ⇥ ~a3 )
ao que foi de nido para a rede direta…) Esta é a ~
a ⇥ ~
a
<latexit sha1_base64="BGxY1UumWjizn56Bk7OvZq5urhw=">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</latexit>

~b2 = 2⇡ 3 1
de inição geral dos ~a1 · (~a2 ⇥ ~a3 )
vetores da rede
~
a ⇥ ~
a
<latexit sha1_base64="6CbAFPoDltaYxPtyChf/QORLAnA=">AAACOnicbZBLS8NAEMc39V1fVY9eFotQLyWpz4sgevGoYB/QlLDZbtqlmwe7E6GEfC4vfgpvHrx4UMSrH8BtGtG2Diz85zczzM7fjQRXYJrPRmFufmFxaXmluLq2vrFZ2tpuqDCWlNVpKELZcoliggesDhwEa0WSEd8VrOkOrkb15j2TiofBHQwj1vFJL+AepwQ0ckq39j2j2HUOz2t2xG1PEppkiDiWDdxnKs9q6S+n3RAqP3yi6/AgdUpls2pmgWeFlYsyyuPGKT3Z3ZDGPguACqJU2zIj6CREAqeCpUU7ViwidEB6rK1lQPS6TpKdnuJ9TbrYC6V+AeCM/p1IiK/U0Hd1p0+gr6ZrI/hfrR2Dd9ZJeBDFwAI6XuTFAkOIRz7iLpeMghhqQajk+q+Y9om2D7TbRW2CNX3yrGjUqtZJ9fj2qHxxmduxjHbRHqogC52iC3SNblAdUfSAXtAbejcejVfjw/gctxaMfGYHTYTx9Q2vOazH</latexit>

recíproca… ~b3 = 2⇡ 1 2
~a1 · (~a2 ⇥ ~a3 )
f
fi
fi
a
Partícula num potencial periódico
Rede recíproc

<latexit sha1_base64="mS8EnKePb5+jzOEj4AObHgy0sR0=">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</latexit>

p ! <latexit sha1_base64="ckt0GEUgEivK7OSaTDyCb/ckJCA=">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</latexit>

✓ ◆
3 1 ~b1 = 2⇡ 2
~a1 = a x̂ ŷ p x̂
2 2 a 3
<latexit sha1_base64="Oxf0Ki8ahKN9PEeaw6BTwN2lIdY=">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</latexit>

p !
~b2 = 2⇡ 3
~a2 = aŷ x̂ + ŷ
<latexit sha1_base64="O1eSwnZNyRKscheT+MYz18D/mqM=">AAAB+XicbVDLSsNAFJ3UV62vqEs3g0VwVZLiayMU3bisYB/QhHAznbZDJ5MwMymE0D9x40IRt/6JO//GaZuFth64cDjnXu69J0w4U9pxvq3S2vrG5lZ5u7Kzu7d/YB8etVWcSkJbJOax7IagKGeCtjTTnHYTSSEKOe2E4/uZ35lQqVgsnnSWUD+CoWADRkAbKbBtb0IJhqB+C94INM4Cu+rUnDnwKnELUkUFmoH95fVjkkZUaMJBqZ7rJNrPQWpGOJ1WvFTRBMgYhrRnqICIKj+fXz7FZ0bp40EsTQmN5+rviRwipbIoNJ0R6JFa9mbif14v1YMbP2ciSTUVZLFokHKsYzyLAfeZpETzzBAgkplbMRmBBKJNWBUTgrv88ipp12vuVe3y8aLauCviKKMTdIrOkYuuUQM9oCZqIYIm6Bm9ojcrt16sd+tj0Vqyiplj9AfW5w9PZpLR</latexit>

a 3
2⇡
<latexit sha1_base64="TZ8hItuf/FE2MlR1Yr7oFVnn+RE=">AAACBnicbVDLSsNAFL2pr1pfUZciDBbBVUnqcyMU3bisYFuhCWUynbRDJw9mJoUasnLjr7hxoYhbv8Gdf+O0zUJbD1w4nHMv997jxZxJZVnfRmFhcWl5pbhaWlvf2Nwyt3eaMkoEoQ0S8Ujce1hSzkLaUExxeh8LigOP05Y3uB77rSEVkkXhnRrF1A1wL2Q+I1hpqWPuO0NKkNc5vnR8gUladWKWpSRz+lihh45ZtirWBGie2DkpQ456x/xyuhFJAhoqwrGUbduKlZtioRjhNCs5iaQxJgPco21NQxxQ6aaTNzJ0qJUu8iOhK1Roov6eSHEg5SjwdGeAVV/OemPxP6+dKP/CTVkYJ4qGZLrITzhSERpngrpMUKL4SBNMBNO3ItLHOg6lkyvpEOzZl+dJs1qxzyqntyfl2lUeRxH24ACOwIZzqMEN1KEBBB7hGV7hzXgyXox342PaWjDymV34A+PzB7AdmKc=</latexit>

~a3 = cẑ ~b3 =


<latexit sha1_base64="rwrksMXlfOce3zZSsR25JAuHrGQ=">AAAB+XicbVDLSsNAFJ3UV62vqEs3g0VwVRLfG6HoxmUF+4AmhJvppB06mYSZSaGG/okbF4q49U/c+TdO2yy0euDC4Zx7ufeeMOVMacf5skpLyyura+X1ysbm1vaOvbvXUkkmCW2ShCeyE4KinAna1Exz2kklhTjktB0Ob6d+e0SlYol40OOU+jH0BYsYAW2kwLa9ESUYgtNr4g1A48fArjo1Zwb8l7gFqaICjcD+9HoJyWIqNOGgVNd1Uu3nIDUjnE4qXqZoCmQIfdo1VEBMlZ/PLp/gI6P0cJRIU0LjmfpzIodYqXEcms4Y9EAtelPxP6+b6ejKz5lIM00FmS+KMo51gqcx4B6TlGg+NgSIZOZWTAYggWgTVsWE4C6+/Je0TmruRe38/qxavyniKKMDdIiOkYsuUR3doQZqIoJG6Am9oFcrt56tN+t93lqyipl99AvWxzdVipLV</latexit>


c Para uma rede tridimensional
Célula unitária
da rede direta

<latexit sha1_base64="bG6FlrVHr6C5LLy8Ed9W+RXIcJ8=">AAAB7XicbVDLSgNBEOyNrxhfUY9eBoPgKeyKr2PQi8cI5gHJEmYns8mY2Z1lplcIS/7BiwdFvPo/3vwbJ8keNLGgoajqprsrSKQw6LrfTmFldW19o7hZ2tre2d0r7x80jUo14w2mpNLtgBouRcwbKFDydqI5jQLJW8Hoduq3nrg2QsUPOE64H9FBLELBKFqp2R1SJONeueJW3RnIMvFyUoEc9V75q9tXLI14jExSYzqem6CfUY2CST4pdVPDE8pGdMA7lsY04sbPZtdOyIlV+iRU2laMZKb+nshoZMw4CmxnRHFoFr2p+J/XSTG89jMRJynymM0XhakkqMj0ddIXmjOUY0so08LeStiQasrQBlSyIXiLLy+T5lnVu6xe3J9Xajd5HEU4gmM4BQ+uoAZ3UIcGMHiEZ3iFN0c5L8678zFvLTj5zCH8gfP5A0W8jvI=</latexit>

~
a ⇥ ~
a
<latexit sha1_base64="ZAv0APXCSF+g4iJTiBhtAuGtuXI=">AAACOnicbVC7SgNBFJ2NrxhfUUubwSDEJuzGZyMEbSwTMA/IhmV2MpsMmX0wczcQlnyXjV9hZ2FjoYitH+AkWUGTHBg495x7uXOPGwmuwDRfjMzK6tr6RnYzt7W9s7uX3z9oqDCWlNVpKELZcoliggesDhwEa0WSEd8VrOkO7iZ+c8ik4mHwAKOIdXzSC7jHKQEtOfmaPWQUu451U7YjbnuS0GQqEadsA/eZSquz8a9u2bQbQnF51+nYyRfMkjkFXiRWSgooRdXJP9vdkMY+C4AKolTbMiPoJEQCp4KNc3asWETogPRYW9OA6HWdZHr6GJ9opYu9UOoXAJ6qfycS4is18l3d6RPoq3lvIi7z2jF4152EB1EMLKCzRV4sMIR4kiPucskoiJEmhEqu/4ppn+j4QKed0yFY8ycvkka5ZF2WLmrnhcptGkcWHaFjVEQWukIVdI+qqI4oekSv6B19GE/Gm/FpfM1aM0Y6c4j+wfj+Aa8FrMc=</latexit>

~a2
<latexit sha1_base64="at/Y5drRBqfbWV9hj0hY4xtnRX0=">AAAB73icbVDLTgJBEOzFF+IL9ehlIjHxRHaJryPRi0dM5JHAhswOvTBhdnadmSUhhJ/w4kFjvPo73vwbB9iDgpV0UqnqTndXkAiujet+O7m19Y3Nrfx2YWd3b/+geHjU0HGqGNZZLGLVCqhGwSXWDTcCW4lCGgUCm8HwbuY3R6g0j+WjGSfoR7QvecgZNVZqdUbICO1WusWSW3bnIKvEy0gJMtS6xa9OL2ZphNIwQbVue25i/AlVhjOB00In1ZhQNqR9bFsqaYTan8zvnZIzq/RIGCtb0pC5+ntiQiOtx1FgOyNqBnrZm4n/ee3UhDf+hMskNSjZYlGYCmJiMnue9LhCZsTYEsoUt7cSNqCKMmMjKtgQvOWXV0mjUvauypcPF6XqbRZHHk7gFM7Bg2uowj3UoA4MBDzDK7w5T86L8+58LFpzTjZzDH/gfP4ATUiPgA==</latexit>

~b1 = 2⇡ 2 3

~b2
<latexit sha1_base64="5e5uTSFBtzypfgyG6xCk2j0glDY=">AAAB73icdVDLSgNBEOyNrxhfUY9eBoPgadndPL0FvXiMYEwgWcLsZDYZMvtwZjYQlvyEFw+KePV3vPk3ziYRVLSgoajqprvLizmTyrI+jNza+sbmVn67sLO7t39QPDy6k1EiCG2TiEei62FJOQtpWzHFaTcWFAcepx1vcpX5nSkVkkXhrZrF1A3wKGQ+I1hpqdufUoK8gTMolizzolFzqg6yTMuqO+VaRpx6xSkjWysZSrBCa1B87w8jkgQ0VIRjKXu2FSs3xUIxwum80E8kjTGZ4BHtaRrigEo3Xdw7R2daGSI/ErpChRbq94kUB1LOAk93BliN5W8vE//yeonyG27KwjhRNCTLRX7CkYpQ9jwaMkGJ4jNNMBFM34rIGAtMlI6ooEP4+hT9T+4c066Z1ZtKqXm5iiMPJ3AK52BDHZpwDS1oAwEOD/AEz8a98Wi8GK/L1pyxmjmGHzDePgGxt4/F</latexit>

~a1 · (~a2 ⇥ ~a3 )



<latexit sha1_base64="BpqAGbgEq7V6aGgKCdUzKSQtI4w=">AAAB7XicbVDLSgNBEOz1GeMr6tHLYBA8hV3xdQx68RjBPCBZwuxkNhkzO7vM9IphyT948aCIV//Hm3/jJNmDJhY0FFXddHcFiRQGXffbWVpeWV1bL2wUN7e2d3ZLe/sNE6ea8TqLZaxbATVcCsXrKFDyVqI5jQLJm8HwZuI3H7k2Ilb3OEq4H9G+EqFgFK3U6AwokqduqexW3CnIIvFyUoYctW7pq9OLWRpxhUxSY9qem6CfUY2CST4udlLDE8qGtM/blioaceNn02vH5NgqPRLG2pZCMlV/T2Q0MmYUBbYzojgw895E/M9rpxhe+ZlQSYpcsdmiMJUEYzJ5nfSE5gzlyBLKtLC3EjagmjK0ARVtCN78y4ukcVrxLirnd2fl6nUeRwEO4QhOwINLqMIt1KAODB7gGV7hzYmdF+fd+Zi1Ljn5zAH8gfP5A0Q4jvE=</latexit>

~b1
<latexit sha1_base64="PTxI93b1IczN/OLMWLVTjIWcyjo=">AAAB73icdVDLSgNBEJyNrxhfUY9eBoPgadndPL0FvXiMYEwgWcLspDcZMvtwZjYQlvyEFw+KePV3vPk3ziYRVLSgoajqprvLizmTyrI+jNza+sbmVn67sLO7t39QPDy6k1EiKLRpxCPR9YgEzkJoK6Y4dGMBJPA4dLzJVeZ3piAki8JbNYvBDcgoZD6jRGmp258Cxd7AHhRLlnnRqDlVB1umZdWdci0jTr3ilLGtlQwltEJrUHzvDyOaBBAqyomUPduKlZsSoRjlMC/0EwkxoRMygp6mIQlAuuni3jk+08oQ+5HQFSq8UL9PpCSQchZ4ujMgaix/e5n4l9dLlN9wUxbGiYKQLhf5CccqwtnzeMgEUMVnmhAqmL4V0zERhCodUUGH8PUp/p/cOaZdM6s3lVLzchVHHp2gU3SObFRHTXSNWqiNKOLoAT2hZ+PeeDRejNdla85YzRyjHzDePgGwM4/E</latexit>

~
a ⇥ ~
a
<latexit sha1_base64="BGxY1UumWjizn56Bk7OvZq5urhw=">AAACOnicbVC7SgNBFJ31GeMramkzGITYhN3EVyMEbSwTMA/IhmV2MpsMmX0wczcQlnyXjV9hZ2FjoYitH+AkWcEkHhg495x7uXOPGwmuwDRfjJXVtfWNzcxWdntnd28/d3DYUGEsKavTUISy5RLFBA9YHTgI1ookI74rWNMd3E385pBJxcPgAUYR6/ikF3CPUwJacnI1e8godp3STcmOuO1JQpOpRJyyDdxnKq2s8a9u2bQbQiGtSnNd5bOxk8ubRXMKvEyslORRiqqTe7a7IY19FgAVRKm2ZUbQSYgETgUbZ+1YsYjQAemxtqYB0es6yfT0MT7VShd7odQvADxV/04kxFdq5Lu60yfQV4veRPzPa8fgXXcSHkQxsIDOFnmxwBDiSY64yyWjIEaaECq5/iumfaLjA512VodgLZ68TBqlonVZvKid5yu3aRwZdIxOUAFZ6ApV0D2qojqi6BG9onf0YTwZb8an8TVrXTHSmSM0B+P7B680rMc=</latexit>

~b2 = 2⇡ 3 1
~a1
<latexit sha1_base64="75DhmfyBKrz1yKy/G3EQxC6ojEs=">AAAB73icbVDLSgNBEOz1GeMr6tHLYBA8hV3xdQx68RjBPCBZwuykNxkyO7vOzAbCkp/w4kERr/6ON//GSbIHTSxoKKq66e4KEsG1cd1vZ2V1bX1js7BV3N7Z3dsvHRw2dJwqhnUWi1i1AqpRcIl1w43AVqKQRoHAZjC8m/rNESrNY/loxgn6Ee1LHnJGjZVanREyQrtet1R2K+4MZJl4OSlDjlq39NXpxSyNUBomqNZtz02Mn1FlOBM4KXZSjQllQ9rHtqWSRqj9bHbvhJxapUfCWNmShszU3xMZjbQeR4HtjKgZ6EVvKv7ntVMT3vgZl0lqULL5ojAVxMRk+jzpcYXMiLEllClubyVsQBVlxkZUtCF4iy8vk8Z5xbuqXD5clKu3eRwFOIYTOAMPrqEK91CDOjAQ8Ayv8OY8OS/Ou/Mxb11x8pkj+APn8wdLxI9/</latexit>

Vamos Célula unitária ~a1 · (~a2 ⇥ ~a3 )


olhar apenas da rede recíproca
~
a ⇥ ~
a
<latexit sha1_base64="6CbAFPoDltaYxPtyChf/QORLAnA=">AAACOnicbZBLS8NAEMc39V1fVY9eFotQLyWpz4sgevGoYB/QlLDZbtqlmwe7E6GEfC4vfgpvHrx4UMSrH8BtGtG2Diz85zczzM7fjQRXYJrPRmFufmFxaXmluLq2vrFZ2tpuqDCWlNVpKELZcoliggesDhwEa0WSEd8VrOkOrkb15j2TiofBHQwj1vFJL+AepwQ0ckq39j2j2HUOz2t2xG1PEppkiDiWDdxnKs9q6S+n3RAqP3yi6/AgdUpls2pmgWeFlYsyyuPGKT3Z3ZDGPguACqJU2zIj6CREAqeCpUU7ViwidEB6rK1lQPS6TpKdnuJ9TbrYC6V+AeCM/p1IiK/U0Hd1p0+gr6ZrI/hfrR2Dd9ZJeBDFwAI6XuTFAkOIRz7iLpeMghhqQajk+q+Y9om2D7TbRW2CNX3yrGjUqtZJ9fj2qHxxmduxjHbRHqogC52iC3SNblAdUfSAXtAbejcejVfjw/gctxaMfGYHTYTx9Q2vOazH</latexit>

~b3 = 2⇡ 1 2
para o plano
horizontal
~a1 · (~a2 ⇥ ~a3 )
a
Partícula num potencial periódico
Rede recíproc
<latexit sha1_base64="mS8EnKePb5+jzOEj4AObHgy0sR0=">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</latexit>

p !
3 1
~a1 = a x̂ ŷ
2 2
O ~a2 !
<latexit sha1_base64="at/Y5drRBqfbWV9hj0hY4xtnRX0=">AAAB73icbVDLTgJBEOzFF+IL9ehlIjHxRHaJryPRi0dM5JHAhswOvTBhdnadmSUhhJ/w4kFjvPo73vwbB9iDgpV0UqnqTndXkAiujet+O7m19Y3Nrfx2YWd3b/+geHjU0HGqGNZZLGLVCqhGwSXWDTcCW4lCGgUCm8HwbuY3R6g0j+WjGSfoR7QvecgZNVZqdUbICO1WusWSW3bnIKvEy0gJMtS6xa9OL2ZphNIwQbVue25i/AlVhjOB00In1ZhQNqR9bFsqaYTan8zvnZIzq/RIGCtb0pC5+ntiQiOtx1FgOyNqBnrZm4n/ee3UhDf+hMskNSjZYlGYCmJiMnue9LhCZsTYEsoUt7cSNqCKMmMjKtgQvOWXV0mjUvauypcPF6XqbRZHHk7gFM7Bg2uowj3UoA4MBDzDK7w5T86L8+58LFpzTjZzDH/gfP4ATUiPgA==</latexit>

<latexit sha1_base64="Ef0PpsvtsBqxm0CFh7ywB8S1h+s=">AAACD3icbZDLSgMxFIYz9VbrbdSlm2BRBKHMFG8boejGnRXsBTrDkEnTNjSTDEmmUoa+gRtfxY0LRdy6defbmLaz0NYDgY//P4eT84cxo0o7zreVW1hcWl7JrxbW1jc2t+ztnboSicSkhgUTshkiRRjlpKapZqQZS4KikJFG2L8e+40BkYoKfq+HMfEj1OW0QzHSRgrsQ08YW9JuTyMpxUN6Wx1dlr0BwRAF7nEG5cAuOiVnUnAe3AyKIKtqYH95bYGTiHCNGVKq5Tqx9lMkNcWMjApeokiMcB91ScsgRxFRfjq5ZwQPjNKGHSHN4xpO1N8TKYqUGkah6YyQ7qlZbyz+57US3bnwU8rjRBOOp4s6CYNawHE4sE0lwZoNDSAsqfkrxD0kEdYmwoIJwZ09eR7q5ZJ7Vjq9OylWrrI48mAP7IMj4IJzUAE3oApqAINH8AxewZv1ZL1Y79bHtDVnZTO74E9Znz8z35wa</latexit>

~a2 = aŷ OP = 2~a1 + ~a2


<latexit sha1_base64="O1eSwnZNyRKscheT+MYz18D/mqM=">AAAB+XicbVDLSsNAFJ3UV62vqEs3g0VwVZLiayMU3bisYB/QhHAznbZDJ5MwMymE0D9x40IRt/6JO//GaZuFth64cDjnXu69J0w4U9pxvq3S2vrG5lZ5u7Kzu7d/YB8etVWcSkJbJOax7IagKGeCtjTTnHYTSSEKOe2E4/uZ35lQqVgsnnSWUD+CoWADRkAbKbBtb0IJhqB+C94INM4Cu+rUnDnwKnELUkUFmoH95fVjkkZUaMJBqZ7rJNrPQWpGOJ1WvFTRBMgYhrRnqICIKj+fXz7FZ0bp40EsTQmN5+rviRwipbIoNJ0R6JFa9mbif14v1YMbP2ciSTUVZLFokHKsYzyLAfeZpETzzBAgkplbMRmBBKJNWBUTgrv88ipp12vuVe3y8aLauCviKKMTdIrOkYuuUQM9oCZqIYIm6Bm9ojcrt16sd+tj0Vqyiplj9AfW5w9PZpLR</latexit>

~b2
<latexit sha1_base64="5e5uTSFBtzypfgyG6xCk2j0glDY=">AAAB73icdVDLSgNBEOyNrxhfUY9eBoPgadndPL0FvXiMYEwgWcLsZDYZMvtwZjYQlvyEFw+KePV3vPk3ziYRVLSgoajqprvLizmTyrI+jNza+sbmVn67sLO7t39QPDy6k1EiCG2TiEei62FJOQtpWzHFaTcWFAcepx1vcpX5nSkVkkXhrZrF1A3wKGQ+I1hpqdufUoK8gTMolizzolFzqg6yTMuqO+VaRpx6xSkjWysZSrBCa1B87w8jkgQ0VIRjKXu2FSs3xUIxwum80E8kjTGZ4BHtaRrigEo3Xdw7R2daGSI/ErpChRbq94kUB1LOAk93BliN5W8vE//yeonyG27KwjhRNCTLRX7CkYpQ9jwaMkGJ4jNNMBFM34rIGAtMlI6ooEP4+hT9T+4c066Z1ZtKqXm5iiMPJ3AK52BDHZpwDS1oAwEOD/AEz8a98Wi8GK/L1pyxmjmGHzDePgGxt4/F</latexit>

<latexit sha1_base64="ckt0GEUgEivK7OSaTDyCb/ckJCA=">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</latexit>

✓ ◆ (projeção paralela aos eixos…)


~b1 = 2⇡ 2 ~b1
<latexit sha1_base64="PTxI93b1IczN/OLMWLVTjIWcyjo=">AAAB73icdVDLSgNBEJyNrxhfUY9eBoPgadndPL0FvXiMYEwgWcLspDcZMvtwZjYQlvyEFw+KePV3vPk3ziYRVLSgoajqprvLizmTyrI+jNza+sbmVn67sLO7t39QPDy6k1EiKLRpxCPR9YgEzkJoK6Y4dGMBJPA4dLzJVeZ3piAki8JbNYvBDcgoZD6jRGmp258Cxd7AHhRLlnnRqDlVB1umZdWdci0jTr3ilLGtlQwltEJrUHzvDyOaBBAqyomUPduKlZsSoRjlMC/0EwkxoRMygp6mIQlAuuni3jk+08oQ+5HQFSq8UL9PpCSQchZ4ujMgaix/e5n4l9dLlN9wUxbGiYKQLhf5CccqwtnzeMgEUMVnmhAqmL4V0zERhCodUUGH8PUp/p/cOaZdM6s3lVLzchVHHp2gU3SObFRHTXSNWqiNKOLoAT2hZ+PeeDRejNdla85YzRyjHzDePgGwM4/E</latexit>

p x̂
~a1 3a2 ~
<latexit sha1_base64="75DhmfyBKrz1yKy/G3EQxC6ojEs=">AAAB73icbVDLSgNBEOz1GeMr6tHLYBA8hV3xdQx68RjBPCBZwuykNxkyO7vOzAbCkp/w4kERr/6ON//GSbIHTSxoKKq66e4KEsG1cd1vZ2V1bX1js7BV3N7Z3dsvHRw2dJwqhnUWi1i1AqpRcIl1w43AVqKQRoHAZjC8m/rNESrNY/loxgn6Ee1LHnJGjZVanREyQrtet1R2K+4MZJl4OSlDjlq39NXpxSyNUBomqNZtz02Mn1FlOBM4KXZSjQllQ9rHtqWSRqj9bHbvhJxapUfCWNmShszU3xMZjbQeR4HtjKgZ6EVvKv7ntVMT3vgZl0lqULL5ojAVxMRk+jzpcYXMiLEllClubyVsQBVlxkZUtCF4iy8vk8Z5xbuqXD5clKu3eRwFOIYTOAMPrqEK91CDOjAQ8Ayv8OY8OS/Ou/Mxb11x8pkj+APn8wdLxI9/</latexit>

<latexit sha1_base64="7KjipH14JSipY7kRSFto+5Ekc4k=">AAACBHicbVDLSsNAFJ3UV62vqMtuBovgqiS1PjZC0Y3LCvYBTQyT6aQdOpmEmUmhhCzc+CtuXCji1o9w5984bbPQ1gMXDufcy733+DGjUlnWt1FYWV1b3yhulra2d3b3zP2DtowSgUkLRywSXR9JwignLUUVI91YEBT6jHT80c3U74yJkDTi92oSEzdEA04DipHSkmeWr5xAIJyeoodaltadmGbQGRMMfc/2zIpVtWaAy8TOSQXkaHrml9OPcBISrjBDUvZsK1ZuioSimJGs5CSSxAiP0ID0NOUoJNJNZ09k8FgrfRhEQhdXcKb+nkhRKOUk9HVniNRQLnpT8T+vl6jg0k0pjxNFOJ4vChIGVQSnicA+FQQrNtEEYUH1rRAPkQ5F6dxKOgR78eVl0q5V7fPq2V290rjO4yiCMjgCJ8AGF6ABbkETtAAGj+AZvII348l4Md6Nj3lrwchnDsEfGJ8/US+XQQ==</latexit>

a 3
! Componentes = b1
p
contravariantes 4⇡
<latexit sha1_base64="Oxf0Ki8ahKN9PEeaw6BTwN2lIdY=">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</latexit>

~b2 = 2⇡ 3
x̂ + ŷ (projeção perpendicular…)
a 3
0 1 0~ 1
<latexit sha1_base64="BTZatW35WDatAPZ7CC1GdQsDoyQ=">AAAChnicfZHNTuMwEMedALsly+6W5cjFAiHBYaukFctyQKrgwrFIFJCabuS4k9TCcSJ7glRFfRQeYh+Al+DGO/AAHHE/EJ9iJEs//Wf893gmLqQw6Pt3jruwuPTla23Z+7by/cfP+uqvM5OXmkOX5zLXFzEzIIWCLgqUcFFoYFks4Ty+PJrkz69AG5GrUxwV0M9YqkQiOEMrRfXr9F/1Oxh7oYQEt8MYUqEqpjUbjStu5SvglEVBGD5h8xlb1AtBDebloRbpEHe8g0+94iigTw5x1HzBrQ/Movqm3/CnQd9DMIfNduf/w819tN+J6rfhIOdlBgq5ZMb0Ar/AvjVFwSXYHkoDBeOXLIWeRcUyMP1qOsYx3bLKgCa5tkchnaovb1QsM2aUxbYyYzg0b3MT8aNcr8Tkb78SqigRFJ89lJSSYk4nO6EDoYGjHFlgXAvbK+VDphlHuznPDiF4++X3cNZsBH8auyd2GodkFjWyTjbINgnIHmmTY9IhXcKdBWfHaTott+Y23F13b1bqOvM7a+RVuO1H9dPFBQ==</latexit>

Componentes
~a1 b1 covariantes
1@ A B~ C 0 10 1 0 1
g ~a2 = @ b2 A <latexit sha1_base64="c/E4+NWVyiJ+mgy14FLWVAgD8Ok=">AAAC13icdVLNbtQwEHZSfkr4W9ojF4uKqhxYJUG0XCpV5dIbrdRtizbbxfFOdq06TmRPKi1RxAGEeuUBeCfUW1+irwBOspWgu4xk6fM3882MZxznUhj0/SvHXbpz99795Qfew0ePnzztPFs5MlmhOfR4JjN9EjMDUijooUAJJ7kGlsYSjuOz97X/+By0EZk6xGkOg5SNlUgEZ2ipYec6kpDgRhTDWKiSac2mVck5rzx2GtJ1+jpKNOOlvVRlWFnCp1HkzbFtcOPzG7BO+WnoRaBGs6SRFuMJvvIW1qu8sJYGrX6RbPt/wraTNzet2AQ3bSxKM+ys+V2/MToPghlY2/ngF78//fy1P+xcRqOMFyko5JIZ0w/8HAc2KwouwZYvDOSMn7Ex9C1ULAUzKJu9VPSlZUY0ybQ9CmnD/q0oWWrMNI1tZMpwYm77anKRr19g8m5QCpUXCIq3hZJCUsxovWQ6Eho4yqkFjGthe6V8wuyg0H6FegjB7SfPg6OwG2x23x7YaeyS1pbJc/KCbJCAbJEdskf2SY9w59D57Hx1vrkf3S/ud/eiDXWdmWaV/GPujz8xv9+g</latexit>

a2 2

~a3 ~b3 0 2 3a a2 2
~ai · ~bj = 2⇡ j j 2
<latexit sha1_base64="jZUZ35Swwnc52iawiaw7rTsEkPc=">AAACI3icbVBNSwMxEM36bf2qevQSLIKnslv8QhBELx4VrArdtmSz0zZtNrsms4Wy9L948a948aCIFw/+F9Pag219MPDy3gyZeUEihUHX/XJmZufmFxaXlnMrq2vrG/nNrTsTp5pDmccy1g8BMyCFgjIKlPCQaGBRIOE+6FwO/PsuaCNidYu9BKoRayrREJyhler5U78LnLK68HkY4/AR1NpnJT8RfggSrVPLfNru+woex5V6vuAW3SHoNPFGpEBGuK7nP/ww5mkECrlkxlQ8N8FqxjQKLqGf81MDCeMd1oSKpYpFYKrZ8MY+3bNKSBuxtqWQDtW/ExmLjOlFge2MGLbMpDcQ//MqKTZOqplQSYqg+O9HjVRSjOkgMBoKDRxlzxLGtbC7Ut5imnG0seZsCN7kydPkrlT0joqHNweF84tRHEtkh+ySfeKRY3JOrsg1KRNOnsgLeSPvzrPz6nw4n7+tM85oZpuMwfn+AY0TpN4=</latexit>

i 6= i @ a 2
a 0 A @ 1 A = @ 0 A 2
2
0 0 c2 0 0
Rede recíproca “dos 0 2 a 2 1 <latexit sha1_base64="fK0WJ5gFiCR3jPRT15Kfb8piYEA=">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</latexit>

P físicos” (com 2π) vs. rede a 2 0


recíproca “dos cristalógrafos” Métrica: gij = ~ai · ~aj @ 2
A
<latexit sha1_base64="4GDjAnLtx8WFv9NTMljUNm0YFnE=">AAACBXicbVC7TsMwFHXKq5RXgBEGiwqJqUoQrwWpgoWxSPQhNVHkOG7r1rEj26lURV1Y+BUWBhBi5R/Y+BvcNgO0HOlKx+fcK997woRRpR3n2yosLa+srhXXSxubW9s79u5eQ4lUYlLHggnZCpEijHJS11Qz0kokQXHISDMc3E785pBIRQV/0KOE+DHqctqhGGkjBfZhN8hof3ztDQmGKKAejoTOH/3ALjsVZwq4SNyclEGOWmB/eZHAaUy4xgwp1XadRPsZkppiRsYlL1UkQXiAuqRtKEcxUX42vWIMj40SwY6QpriGU/X3RIZipUZxaDpjpHtq3puI/3ntVHeu/IzyJNWE49lHnZRBLeAkEhhRSbBmI0MQltTsCnEPSYS1Ca5kQnDnT14kjdOKe1E5vz8rV2/yOIrgAByBE+CCS1AFd6AG6gCDR/AMXsGb9WS9WO/Wx6y1YOUz++APrM8fOZiYaA==</latexit>

a 2
2 a 0
(sem 2π)
0 0 c2
a
milies of lattice planes are shown.
qually spaced, and every point of
attice plane.

Partícula num potencial periódico


procal Lattice in Three Dimensions 131

anes are in one-to-one correspon-


ly
eciprocal lattice vectors, to which 13.1 The Reciprocal Lattice in Three Dimensions 131
sg between these lattice planes is (010) family of lattice planes Pl nos d rede
minimum
y of lattice length
planesreciprocal lattice
is an infinite set of equally
n.lanes which taken together contain all points
f Um plano cristalino é um Uma família de planos é um
ows. First we consider the set of
plano que contém pelo conjunto in inito de planos
or someofinteger
mples familiesm,of lattice planes are shown.
arallel menos
and equally3 nós não-colineares
spaced, and every point of equidistantes que, quando
πm
xactly
- . one lattice da rede
plane.de Bravais
(13.7) considerados em conjunto, contém
hg claim:
lanes normal to G. Since e iG·r
= todos os nós da rede de Bravais
s (010) family of lattice planes
a member
eof of one
lattice planes areofinthese planes correspon-
one-to-one
q. 13.1). ofHowever,
rections reciprocalfor the planes
lattice vectors, to which
Teorema
eeds
, thetospacing
containbetween
a lattice point
these (so planes
lattice is family(010)
(110) familyplanes
of lattice of lattice planes
minf is the
equally minimum
spaced planes,length
but reciprocal
not a lattice
tion.family of planes, the spacing
ger Para qualquer família de planos separados por uma distância
)
πmade as follows. First we consider the set of d, existem vetores da rede recíproca perpendiculares aos
(13.8)
such
=| .
that for some integer m, planos, tendo o menor deles módulo 2π/d.

G ⃗ da rede recíproca, há
q.
s 13.7)
G·r= that
2πmtwo
. adjacent planes (13.7)
Qualquer que seja o vetor
uma família de planos perpendiculares a G ⃗ e separados por
s
iG·r
o of parallel planes normal to G.
) = 2π.(110) family of lattice planes Since e =
aice point is a member of one of these planes
ngspacing
of G inbetween uma distância d, onde 2π/d é o comprimento do menor vetor
planes
Eq. 13.1). is 2π/|G|
However, for the planes

da rede recíproca que é paralelo a G .⃗


very plane needs to contain a lattice point (so (110) family of lattice planes
yappen
) of to point
parallel in the
equally sameplanes,
spaced direc- but not a
(111) family of lattice planes
will
For define parallel
this larger setsofofplanes,
family planes.the spacing
a
f
a
Partícula num potencial periódico
Pl nos d rede

Teorema

Para qualquer família de planos separados por uma distância d, existem vetores da
rede recíproca perpendiculares aos planos, tendo o menor deles módulo 2π/d.

n̂ · (~r ~r0 ) = 0 de ne o plano perpendicular a n ̂ que passa por r 0⃗


<latexit sha1_base64="bRE/PKxJ4jt4YOtgwZLXRgz82Dk=">AAACB3icbVDLSgMxFM3UV62vqktBgkWoC8uM+NoIRTcuK9gHdIYhk6ZtaCYZkjuFUrpz46+4caGIW3/BnX9j+lho9cDlHs65l+SeKBHcgOt+OZmFxaXllexqbm19Y3Mrv71TMyrVlFWpEko3ImKY4JJVgYNgjUQzEkeC1aPezdiv95k2XMl7GCQsiElH8janBKwU5vf9LgEsfdpSUPT7jGJ9PG2he3TlhvmCW3InwH+JNyMFNEMlzH/6LUXTmEmgghjT9NwEgiHRwKlgo5yfGpYQ2iMd1rRUkpiZYDi5Y4QPrdLCbaVtScAT9efGkMTGDOLITsYEumbeG4v/ec0U2pfBkMskBSbp9KF2KjAoPA4Ft7hmFMTAEkI1t3/FtEs0oWCjy9kQvPmT/5LaSck7L53dnRbK17M4smgPHaAi8tAFKqNbVEFVRNEDekIv6NV5dJ6dN+d9OppxZju76Becj2+hAJfg</latexit>

Seja n ̂ a normal aos planos e seja G ⃗ = Gn ̂

~ · ~r = G
~ · ~r0 é constante para ∀ r ⃗ pertencente a um dado plano perpendicular a G ⃗
~ r
<latexit sha1_base64="fS9Ot042HNPf/r09BUTak8do1YE=">AAACNHicbVDLSgMxFM34tr6qLt0Ei6ALy4z42giiCwU3ClaFThkymVsbmkmG5I5Qih/lxg9xI4ILRdz6DabTLtR6IORwzrkk98SZFBZ9/8UbGR0bn5icmi7NzM7NL5QXl66szg2HGtdSm5uYWZBCQQ0FSrjJDLA0lnAdt497/vUdGCu0usROBo2U3SrRFJyhk6LyWdhiSFXIE43r4R1wajb7V+RvHPihBJZY1IV0UqT67sGQEvlRueJX/QJ0mAQDUiEDnEflpzDRPE9BIZfM2nrgZ9joMoOCS7gvhbmFjPE2u4W6o4qlYBvdYul7uuaUhDa1cUchLdSfE12WWttJY5dMGbbsX68n/ufVc2zuN7pCZTmC4v2HmrmkqGmvQZoIAxxlxxHGjXB/pbzFDOPoei65EoK/Kw+Tq61qsFvdudiuHB4N6pgiK2SVrJOA7JFDckrOSY1w8kCeyRt59x69V+/D++xHR7zBzDL5Be/rG2Xeqhw=</latexit> <latexit sha1_base64="jMNOm303IF5hUuR4xXD2lEt0bpc=">AAACBnicbZDLSsNAFIYn9VbrLepShMEiuCqJeFsWXeiygr1AE8tketoOnWTCzKRYQldufBU3LhRx6zO4822ctllo6w8DH/85hzPnD2LOlHacbyu3sLi0vJJfLaytb2xu2ds7NSUSSaFKBReyERAFnEVQ1UxzaMQSSBhwqAf9q3G9PgCpmIju9DAGPyTdiHUYJdpYLXvfCwPxkMLoPmXeACi+9mhb6AnKUcsuOiVnIjwPbgZFlKnSsr+8tqBJCJGmnCjVdJ1Y+ymRmlEOo4KXKIgJ7ZMuNA1GJATlp5MzRvjQOG3cEdK8SOOJ+3siJaFSwzAwnSHRPTVbG5v/1ZqJ7lz4KYviRENEp4s6Ccda4HEmuM0kUM2HBgiVzPwV0x6RhGqTXMGE4M6ePA+145J7Vjq9PSmWL7M48mgPHaAj5KJzVEY3qIKqiKJH9Ixe0Zv1ZL1Y79bHtDVnZTO76I+szx+cR5k4</latexit>

n̂ · (~r ~r0 ) = 0 G iG·~


e

tem o mesmo valor em dois planos perpendiculares a G ⃗


~ r
<latexit sha1_base64="jMNOm303IF5hUuR4xXD2lEt0bpc=">AAACBnicbZDLSsNAFIYn9VbrLepShMEiuCqJeFsWXeiygr1AE8tketoOnWTCzKRYQldufBU3LhRx6zO4822ctllo6w8DH/85hzPnD2LOlHacbyu3sLi0vJJfLaytb2xu2ds7NSUSSaFKBReyERAFnEVQ1UxzaMQSSBhwqAf9q3G9PgCpmIju9DAGPyTdiHUYJdpYLXvfCwPxkMLoPmXeACi+9mhb6AnKUcsuOiVnIjwPbgZFlKnSsr+8tqBJCJGmnCjVdJ1Y+ymRmlEOo4KXKIgJ7ZMuNA1GJATlp5MzRvjQOG3cEdK8SOOJ+3siJaFSwzAwnSHRPTVbG5v/1ZqJ7lz4KYviRENEp4s6Ccda4HEmuM0kUM2HBgiVzPwV0x6RhGqTXMGE4M6ePA+145J7Vjq9PSmWL7M48mgPHaAj5KJzVEY3qIKqiKJH9Ixe0Zv1ZL1Y79bHtDVnZTO76I+szx+cR5k4</latexit>

iG·~
e
~ · (~r0 + dn̂) = G
~ · ~r0 + Gd
<latexit sha1_base64="Zenii0Kcoc0fNBCiImtaPpaTsls=">AAACHXicbZDLSgMxFIYzXmu9jbp0EyxCRSgzUi8boeiiLivYC3RKyWTSNjSTGZIzhVL6Im58FTcuFHHhRnwb0wtSWw8EPv7/HE7O78eCa3Ccb2tpeWV1bT21kd7c2t7Ztff2KzpKFGVlGolI1XyimeCSlYGDYLVYMRL6glX97u3Ir/aY0jySD9CPWSMkbclbnBIwUtPOez1GcdGjQQTZMaumcxp4HQJYnlzPuL9mMWjaGSfnjAsvgjuFDJpWqWl/ekFEk5BJoIJoXXedGBoDooBTwYZpL9EsJrRL2qxuUJKQ6cZgfN0QHxslwK1ImScBj9XZiQEJte6HvukMCXT0vDcS//PqCbSuGgMu4wSYpJNFrURgiPAoKhxwxSiIvgFCFTd/xbRDFKFgAk2bENz5kxehcpZzL3Ln9/lM4WYaRwodoiOURS66RAV0h0qojCh6RM/oFb1ZT9aL9W59TFqXrOnMAfpT1tcPj66gWw==</latexit>

G separados por d se G = 2π/d

Se um dos planos contiver a origem


<latexit sha1_base64="ePQIpcLmH9iuE9ynEEVW4y+Epnw=">AAACCHicbZC7SgNBFIZnvcZ4i1paOBgEq7Ar3hohaKFlBHOB7BpmJyfJkNmdZWY2GJaUNr6KjYUitj6CnW/jZLOFJv4w8PGfczhzfj/iTGnb/rbm5hcWl5ZzK/nVtfWNzcLWdk2JWFKoUsGFbPhEAWchVDXTHBqRBBL4HOp+/2pcrw9AKibCOz2MwAtIN2QdRok2Vquw5wa+eEhgdJ8wdwAUX7u0LXSKcnThtApFu2SnwrPgZFBEmSqtwpfbFjQOINSUE6Wajh1pLyFSM8phlHdjBRGhfdKFpsGQBKC8JD1khA+M08YdIc0LNU7d3xMJCZQaBr7pDIjuqena2Pyv1ox159xLWBjFGkI6WdSJOdYCj1PBbSaBaj40QKhk5q+Y9ogkVJvs8iYEZ/rkWagdlZzT0sntcbF8mcWRQ7toHx0iB52hMrpBFVRFFD2iZ/SK3qwn68V6tz4mrXNWNrOD/sj6/AGkhZm6</latexit>

~ r
iG·~ para qualquer ponto de qualquer
e =1
(e contém, visto que todos os pontos da rede de Bravais plano da família de planos
estão sobre os planos de qualquer família de planos…)
fi
a
a
Partícula num potencial periódico
Pl nos d rede

Teorema

Para qualquer família de planos separados por uma distância d, existem vetores da
rede recíproca perpendiculares aos planos, tendo o menor deles módulo 2π/d.

<latexit sha1_base64="ePQIpcLmH9iuE9ynEEVW4y+Epnw=">AAACCHicbZC7SgNBFIZnvcZ4i1paOBgEq7Ar3hohaKFlBHOB7BpmJyfJkNmdZWY2GJaUNr6KjYUitj6CnW/jZLOFJv4w8PGfczhzfj/iTGnb/rbm5hcWl5ZzK/nVtfWNzcLWdk2JWFKoUsGFbPhEAWchVDXTHBqRBBL4HOp+/2pcrw9AKibCOz2MwAtIN2QdRok2Vquw5wa+eEhgdJ8wdwAUX7u0LXSKcnThtApFu2SnwrPgZFBEmSqtwpfbFjQOINSUE6Wajh1pLyFSM8phlHdjBRGhfdKFpsGQBKC8JD1khA+M08YdIc0LNU7d3xMJCZQaBr7pDIjuqena2Pyv1ox159xLWBjFGkI6WdSJOdYCj1PBbSaBaj40QKhk5q+Y9ogkVJvs8iYEZ/rkWagdlZzT0sntcbF8mcWRQ7toHx0iB52hMrpBFVRFFD2iZ/SK3qwn68V6tz4mrXNWNrOD/sj6/AGkhZm6</latexit>

~ r
iG·~ para qualquer ponto de qualquer
e =1
plano da família de planos

Uma família de planos é um


conjunto in inito de planos
= 1 para todos os nós da rede de Bravais
~ R~
<latexit sha1_base64="qfpEYP5kJdPxepv5DF4hhWhBBoA=">AAACCHicbZC7SgNBFIZn4y3GW9TSwsEgWIVd8dYIQQsto5gLZGOYnZwkQ2Z3lpnZYFhS2vgqNhaK2PoIdr6Nk80WmvjDwMd/zuHM+b2QM6Vt+9vKzM0vLC5ll3Mrq2vrG/nNraoSkaRQoYILWfeIAs4CqGimOdRDCcT3ONS8/uW4XhuAVEwEd3oYQtMn3YB1GCXaWK38rut74iGG0X3M3AFQfOXSttAJ3o7OnVa+YBftRHgWnBQKKFW5lf9y24JGPgSacqJUw7FD3YyJ1IxyGOXcSEFIaJ90oWEwID6oZpwcMsL7xmnjjpDmBRon7u+JmPhKDX3PdPpE99R0bWz+V2tEunPWjFkQRhoCOlnUiTjWAo9TwW0mgWo+NECoZOavmPaIJFSb7HImBGf65FmoHhadk+LxzVGhdJHGkUU7aA8dIAedohK6RmVUQRQ9omf0it6sJ+vFerc+Jq0ZK53ZRn9kff4Ac6WZmg==</latexit>

iG·
equidistantes que, quando e
considerados em conjunto, contém

Um ponto G ⃗ é um ponto da rede recíproca se e só se


todos os nós da rede de Bravais

~ R~
<latexit sha1_base64="qfpEYP5kJdPxepv5DF4hhWhBBoA=">AAACCHicbZC7SgNBFIZn4y3GW9TSwsEgWIVd8dYIQQsto5gLZGOYnZwkQ2Z3lpnZYFhS2vgqNhaK2PoIdr6Nk80WmvjDwMd/zuHM+b2QM6Vt+9vKzM0vLC5ll3Mrq2vrG/nNraoSkaRQoYILWfeIAs4CqGimOdRDCcT3ONS8/uW4XhuAVEwEd3oYQtMn3YB1GCXaWK38rut74iGG0X3M3AFQfOXSttAJ3o7OnVa+YBftRHgWnBQKKFW5lf9y24JGPgSacqJUw7FD3YyJ1IxyGOXcSEFIaJ90oWEwID6oZpwcMsL7xmnjjpDmBRon7u+JmPhKDX3PdPpE99R0bWz+V2tEunPWjFkQRhoCOlnUiTjWAo9TwW0mgWo+NECoZOavmPaIJFSb7HImBGf65FmoHhadk+LxzVGhdJHGkUU7aA8dIAedohK6RmVUQRQ9omf0it6sJ+vFerc+Jq0ZK53ZRn9kff4Ac6WZmg==</latexit>

iG·
2⇡ e =1
<latexit sha1_base64="3KojvYzhPP9WXAzsoji841t63+E=">AAACBHicbVDLSsNAFL2pr1pfVZfdDBbBVUmKr41QdKHLCvYBTSiTyaQdOnkwMymUkIUbf8WNC0Xc+hHu/BunbRbaeuDC4Zx7ufceN+ZMKtP8Ngorq2vrG8XN0tb2zu5eef+gLaNEENoiEY9E18WSchbSlmKK024sKA5cTjvu6Gbqd8ZUSBaFD2oSUyfAg5D5jGClpX65Yo8pQbdXti8wSet2zLLUy+whVki7VbNmzoCWiZWTKuRo9stftheRJKChIhxL2bPMWDkpFooRTrOSnUgaYzLCA9rTNMQBlU46eyJDx1rxkB8JXaFCM/X3RIoDKSeBqzsDrIZy0ZuK/3m9RPmXTsrCOFE0JPNFfsKRitA0EeQxQYniE00wEUzfisgQ6ziUzq2kQ7AWX14m7XrNOq+d3Z9WG9d5HEWowBGcgAUX0IA7aEILCDzCM7zCm/FkvBjvxse8tWDkM4fwB8bnDzv9l9s=</latexit>

~ = n̂ é um ponto da rede recíproca!


para todos os pontos R ⃗ da rede direta
G
d
a
f
a
Partícula num potencial periódico
Pl nos d rede

Teorema

Para qualquer família de planos separados por uma distância d, existem vetores da
rede recíproca perpendiculares aos planos, tendo o menor deles módulo 2π/d.

2⇡
<latexit sha1_base64="3KojvYzhPP9WXAzsoji841t63+E=">AAACBHicbVDLSsNAFL2pr1pfVZfdDBbBVUmKr41QdKHLCvYBTSiTyaQdOnkwMymUkIUbf8WNC0Xc+hHu/BunbRbaeuDC4Zx7ufceN+ZMKtP8Ngorq2vrG8XN0tb2zu5eef+gLaNEENoiEY9E18WSchbSlmKK024sKA5cTjvu6Gbqd8ZUSBaFD2oSUyfAg5D5jGClpX65Yo8pQbdXti8wSet2zLLUy+whVki7VbNmzoCWiZWTKuRo9stftheRJKChIhxL2bPMWDkpFooRTrOSnUgaYzLCA9rTNMQBlU46eyJDx1rxkB8JXaFCM/X3RIoDKSeBqzsDrIZy0ZuK/3m9RPmXTsrCOFE0JPNFfsKRitA0EeQxQYniE00wEUzfisgQ6ziUzq2kQ7AWX14m7XrNOq+d3Z9WG9d5HEWowBGcgAUX0IA7aEILCDzCM7zCm/FkvBjvxse8tWDkM4fwB8bnDzv9l9s=</latexit>

~ =
G n̂ é um ponto da rede recíproca!
d
~ · ~r = G
~ · ~r0
<latexit sha1_base64="fS9Ot042HNPf/r09BUTak8do1YE=">AAACNHicbVDLSgMxFM34tr6qLt0Ei6ALy4z42giiCwU3ClaFThkymVsbmkmG5I5Qih/lxg9xI4ILRdz6DabTLtR6IORwzrkk98SZFBZ9/8UbGR0bn5icmi7NzM7NL5QXl66szg2HGtdSm5uYWZBCQQ0FSrjJDLA0lnAdt497/vUdGCu0usROBo2U3SrRFJyhk6LyWdhiSFXIE43r4R1wajb7V+RvHPihBJZY1IV0UqT67sGQEvlRueJX/QJ0mAQDUiEDnEflpzDRPE9BIZfM2nrgZ9joMoOCS7gvhbmFjPE2u4W6o4qlYBvdYul7uuaUhDa1cUchLdSfE12WWttJY5dMGbbsX68n/ufVc2zuN7pCZTmC4v2HmrmkqGmvQZoIAxxlxxHGjXB/pbzFDOPoei65EoK/Kw+Tq61qsFvdudiuHB4N6pgiK2SVrJOA7JFDckrOSY1w8kCeyRt59x69V+/D++xHR7zBzDL5Be/rG2Xeqhw=</latexit>

n̂ · (~r ~r0 ) = 0 G

~ · (~r0 + dn̂) = G
~ · ~r0 + Gd
<latexit sha1_base64="Zenii0Kcoc0fNBCiImtaPpaTsls=">AAACHXicbZDLSgMxFIYzXmu9jbp0EyxCRSgzUi8boeiiLivYC3RKyWTSNjSTGZIzhVL6Im58FTcuFHHhRnwb0wtSWw8EPv7/HE7O78eCa3Ccb2tpeWV1bT21kd7c2t7Ztff2KzpKFGVlGolI1XyimeCSlYGDYLVYMRL6glX97u3Ir/aY0jySD9CPWSMkbclbnBIwUtPOez1GcdGjQQTZMaumcxp4HQJYnlzPuL9mMWjaGSfnjAsvgjuFDJpWqWl/ekFEk5BJoIJoXXedGBoDooBTwYZpL9EsJrRL2qxuUJKQ6cZgfN0QHxslwK1ImScBj9XZiQEJte6HvukMCXT0vDcS//PqCbSuGgMu4wSYpJNFrURgiPAoKhxwxSiIvgFCFTd/xbRDFKFgAk2bENz5kxehcpZzL3Ln9/lM4WYaRwodoiOURS66RAV0h0qojCh6RM/oFb1ZT9aL9W59TFqXrOnMAfpT1tcPj66gWw==</latexit>

para qualquer ponto de qualquer 2⇡ é o menor vetor da rede recíproca que é


<latexit sha1_base64="3KojvYzhPP9WXAzsoji841t63+E=">AAACBHicbVDLSsNAFL2pr1pfVZfdDBbBVUmKr41QdKHLCvYBTSiTyaQdOnkwMymUkIUbf8WNC0Xc+hHu/BunbRbaeuDC4Zx7ufceN+ZMKtP8Ngorq2vrG8XN0tb2zu5eef+gLaNEENoiEY9E18WSchbSlmKK024sKA5cTjvu6Gbqd8ZUSBaFD2oSUyfAg5D5jGClpX65Yo8pQbdXti8wSet2zLLUy+whVki7VbNmzoCWiZWTKuRo9stftheRJKChIhxL2bPMWDkpFooRTrOSnUgaYzLCA9rTNMQBlU46eyJDx1rxkB8JXaFCM/X3RIoDKSeBqzsDrIZy0ZuK/3m9RPmXTsrCOFE0JPNFfsKRitA0EeQxQYniE00wEUzfisgQ6ziUzq2kQ7AWX14m7XrNOq+d3Z9WG9d5HEWowBGcgAUX0IA7aEILCDzCM7zCm/FkvBjvxse8tWDkM4fwB8bnDzv9l9s=</latexit>

~ r
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e iG·~
=1 ~
G= n̂
plano da família de planos d perpendicular aos planos da família de planos!

2⇡
<latexit sha1_base64="oVfivbmwOXeARdFgcy6FtrO2j5g=">AAAB+XicbVDLSsNAFL3xWesr6tLNYBFclaT4WrgoutBlBfuAJpTJdNIOnUzCzKRQQv7EjQtF3Pon7vwbp20W2nrgwuGce7n3niDhTGnH+bZWVtfWNzZLW+Xtnd29ffvgsKXiVBLaJDGPZSfAinImaFMzzWknkRRHAaftYHQ39dtjKhWLxZOeJNSP8ECwkBGsjdSz7fsbL5SYZDUvYXnWz3t2xak6M6Bl4hakAgUaPfvL68ckjajQhGOluq6TaD/DUjPCaV72UkUTTEZ4QLuGChxR5Wezy3N0apQ+CmNpSmg0U39PZDhSahIFpjPCeqgWvan4n9dNdXjtZ0wkqaaCzBeFKUc6RtMYUJ9JSjSfGIKJZOZWRIbYBKFNWGUTgrv48jJp1aruZfXi8bxSvy3iKMExnMAZuHAFdXiABjSBwBie4RXerMx6sd6tj3nrilXMHMEfWJ8/azqTiw==</latexit>

Se G <
d
a
a
Partícula num potencial periódico
Pl nos d rede

Qualquer que seja o vetor G ⃗ da rede recíproca, há uma família de planos perpendiculares a G ⃗ e separados por
uma distância d, onde 2π/d é o comprimento do menor vetor da rede recíproca que é paralelo a G .⃗

Seja G ⃗ o vetor da rede recíproca mais curto que aponta numa dada direção

⃗ r⃗
A equação e i G⋅ = 1 de ne um conjunto de planos

Estes planos (um dos quais contém a origem…) são perpendiculares a G ⃗ e estão separados por d = 2π/ | G |⃗

Um ponto G ⃗ é um ponto da rede recíproca se e só se


Todos os pontos da rede direta estão sobre um ~ R~
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dos planos de nidos por ei G⋅⃗ r ⃗ = 1


iG·
e =1
para todos os pontos R ⃗ da rede direta

Mas todos os planos de nidos por ei G⋅⃗ r ⃗ = 1 contêm pontos da rede direta, caso contrário a separação entre planos da
rede direta seria nd = n × 2π/ | G |⃗ , o que signi cava que G /n
⃗ era um vetor da rede recíproca mais curto que G …

a
a
fi
fi
fi
fi
Partícula num potencial periódico
Índices de Miller

Seja G
~ = h~b1 + k~b2 + `~b3 o vetor associado a uma família de planos
<latexit sha1_base64="269cY2d22YE9hvktRXDPrDffc8U=">AAACEHicbVDLSgMxFM3UV62vUZdugkUUCmWmPjdC0YUuK9ha6Awlk962oZkHSaZQhn6CG3/FjQtF3Lp059+YTmehrQdCTs65l5t7vIgzqSzr28gtLC4tr+RXC2vrG5tb5vZOQ4axoFCnIQ9F0yMSOAugrpji0IwEEN/j8OANrif+wxCEZGFwr0YRuD7pBazLKFFaapuHzhAovrnsp7fXtkuDjFVKDnCePY7bZtEqWynwPLEzUkQZam3zy+mENPYhUJQTKVu2FSk3IUIxymFccGIJEaED0oOWpgHxQbpJutAYH2ilg7uh0CdQOFV/dyTEl3Lke7rSJ6ovZ72J+J/XilX3wk1YEMUKAjod1I05ViGepIM7TABVfKQJoYLpv2LaJ4JQpTMs6BDs2ZXnSaNSts/Kp3cnxepVFkce7aF9dIRsdI6q6BbVUB1R9Iie0St6M56MF+Pd+JiW5oysZxf9gfH5A+Z8m0I=</latexit>

h, k, ` são inteiros e não possuem qualquer fator comum (é o vetor mais curto naquela direção…)
<latexit sha1_base64="Gfj6o81SyKcq/0TKk278okqRc/0=">AAAB83icbVDLSgNBEOyNrxhfUY9eBoPgQcKu+DoGvXiMYB6QXcLspJMMmZ1dZmaFsOQ3vHhQxKs/482/cZLsQRMLGoqqbrq7wkRwbVz32ymsrK6tbxQ3S1vbO7t75f2Dpo5TxbDBYhGrdkg1Ci6xYbgR2E4U0igU2ApHd1O/9YRK81g+mnGCQUQHkvc5o8ZK/vDMJyNbPgrRLVfcqjsDWSZeTiqQo94tf/m9mKURSsME1brjuYkJMqoMZwInJT/VmFA2ogPsWCpphDrIZjdPyIlVeqQfK1vSkJn6eyKjkdbjKLSdETVDvehNxf+8Tmr6N0HGZZIalGy+qJ8KYmIyDYD0uEJmxNgSyhS3txI2pIoyY2Mq2RC8xZeXSfO86l1VLx8uKrXbPI4iHMExnIIH11CDe6hDAxgk8Ayv8Oakzovz7nzMWwtOPnMIf+B8/gCGI5C4</latexit>

Índices de Miller
<latexit sha1_base64="oMTyqQy2P4P+a/Nxc2876XqLiD4=">AAAB8XicbVBNS8NAEJ3Ur1q/qh69BItQoZRE/DoWvXisYD+wDWWznbRLN5uwuxFK6L/w4kERr/4bb/4bt20O2vpg4PHeDDPz/JgzpR3n28qtrK6tb+Q3C1vbO7t7xf2DpooSSbFBIx7Jtk8UciawoZnm2I4lktDn2PJHt1O/9YRSsUg86HGMXkgGggWMEm2kx/KwMqp0kfPTXrHkVJ0Z7GXiZqQEGeq94le3H9EkRKEpJ0p1XCfWXkqkZpTjpNBNFMaEjsgAO4YKEqLy0tnFE/vEKH07iKQpoe2Z+nsiJaFS49A3nSHRQ7XoTcX/vE6ig2svZSJONAo6XxQk3NaRPX3f7jOJVPOxIYRKZm616ZBIQrUJqWBCcBdfXibNs6p7Wb24Py/VbrI48nAEx1AGF66gBndQhwZQEPAMr/BmKevFerc+5q05K5s5hD+wPn8AOTCP/Q==</latexit>

(h, k, `)
designa uma família de planos
~a3
<latexit sha1_base64="7W0vIpXnwnZoN3tS7whGFCt5uVE=">AAAB73icbVDLTgJBEOzFF+IL9ehlIjHxRHZ9H4lePGIijwQ2ZHZoYMLs7DozS0I2/IQXDxrj1d/x5t84wB4UrKSTSlV3uruCWHBtXPfbya2srq1v5DcLW9s7u3vF/YO6jhLFsMYiEalmQDUKLrFmuBHYjBXSMBDYCIZ3U78xQqV5JB/NOEY/pH3Je5xRY6Vme4SM0M55p1hyy+4MZJl4GSlBhmqn+NXuRiwJURomqNYtz42Nn1JlOBM4KbQTjTFlQ9rHlqWShqj9dHbvhJxYpUt6kbIlDZmpvydSGmo9DgPbGVIz0IveVPzPayWmd+OnXMaJQcnmi3qJICYi0+dJlytkRowtoUxxeythA6ooMzaigg3BW3x5mdTPyt5V+fLholS5zeLIwxEcwyl4cA0VuIcq1ICBgGd4hTfnyXlx3p2PeWvOyWYO4Q+czx9OzI+B</latexit>

<latexit sha1_base64="eXDFWi0+1Hi8awI8a817y2P0Xas=">AAAB9HicbVDJSgNBEK2JW4xb1KOXxiB4ijPux6AXjxHMApkh9HRqkiY9i909gTDkO7x4UMSrH+PNv7GTzEGjDwoe71VRVc9PBFfatr+swtLyyupacb20sbm1vVPe3WuqOJUMGywWsWz7VKHgETY01wLbiUQa+gJb/vB26rdGKBWPowc9TtALaT/iAWdUG8lzR8gI7Z6duChEt1yxq/YM5C9xclKBHPVu+dPtxSwNMdJMUKU6jp1oL6NScyZwUnJThQllQ9rHjqERDVF52ezoCTkySo8EsTQVaTJTf05kNFRqHPqmM6R6oBa9qfif10l1cO1lPEpSjRGbLwpSQXRMpgmQHpfItBgbQpnk5lbCBlRSpk1OJROCs/jyX9I8rTqX1Yv780rtJo+jCAdwCMfgwBXU4A7q0AAGj/AEL/Bqjaxn6816n7cWrHxmH37B+vgGy06Rew==</latexit>

~a3 /`
~ hk`
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G 1
<latexit sha1_base64="ACffjQ/alcbO9j9RWcE6WfEs5MI=">AAACGXicbZDLSsNAFIYnXmu9RV26GSyCG0umeNsIRTcuK9gLNCFMppN26OTCzKRQQl7Dja/ixoUiLnXl2zhNo2jrDwM/3zmHM+f3Ys6ksqxPY2FxaXlltbRWXt/Y3No2d3ZbMkoEoU0S8Uh0PCwpZyFtKqY47cSC4sDjtO0Nryf19ogKyaLwTo1j6gS4HzKfEaw0ck3LHlEChYsubV9gkqIsHWY5w27t+IcNvhlyzYpVtXLBeYMKUwGFGq75bvcikgQ0VIRjKbvIipWTYqEY4TQr24mkMSZD3KddbUMcUOmk+WUZPNSkB/1I6BcqmNPfEykOpBwHnu4MsBrI2doE/lfrJsq/cFIWxomiIZku8hMOVQQnMcEeE5QoPtYGE8H0XyEZYJ2G0mGWdQho9uR506pV0Vn19PakUr8q4iiBfXAAjgAC56AObkADNAEB9+ARPIMX48F4Ml6Nt2nrglHM7IE/Mj6+AKUXoBc=</latexit>

1
~ hk` · ~r1 = 0 A família de planos (h, k, ℓ)
<latexit sha1_base64="b/48fZuJz/NJ86UkQL1TQWs6Z5I=">AAACB3icbVDLSsNAFJ34rPUVdSnIYBFclUR8bYSiC11WsA9oQphMbtuhkwczk0IJ3bnxV9y4UMStv+DOv3GaZqGtBy4czrmXe+/xE86ksqxvY2FxaXlltbRWXt/Y3No2d3abMk4FhQaNeSzaPpHAWQQNxRSHdiKAhD6Hlj+4mfitIQjJ4uhBjRJwQ9KLWJdRorTkmQfOECi+9bL+wAHOxw4NYpVrwrOvLM+sWFUrB54ndkEqqEDdM7+cIKZpCJGinEjZsa1EuRkRilEO47KTSkgIHZAedDSNSAjSzfI/xvhIKwHuxkJXpHCu/p7ISCjlKPR1Z0hUX856E/E/r5Oq7qWbsShJFUR0uqibcqxiPAkFB0wAVXykCaGC6Vsx7RNBqNLRlXUI9uzL86R5UrXPq2f3p5XadRFHCe2jQ3SMbHSBaugO1VEDUfSIntErejOejBfj3fiYti4Yxcwe+gPj8wcc45jU</latexit>

~r1 = ~a2 ~a1 G


~r2 k h
<latexit sha1_base64="kxFpFblV8X3qUoE5AcsvBgSFj8g=">AAAB73icdVDLSsNAFL3xWeur6tLNYBFchSQkNd0V3bisYB/QhjKZTtqhk4czk0Ip/Qk3LhRx6++482+cPgQVPXDhcM693HtPmHEmlWV9GGvrG5tb24Wd4u7e/sFh6ei4KdNcENogKU9FO8SScpbQhmKK03YmKI5DTlvh6Hrut8ZUSJYmd2qS0SDGg4RFjGClpXZ3TAkSPadXKltm1a/6vocs0624nuNoYtue6/rINq0FyrBCvVd67/ZTksc0UYRjKTu2lalgioVihNNZsZtLmmEywgPa0TTBMZXBdHHvDJ1rpY+iVOhKFFqo3yemOJZyEoe6M8ZqKH97c/Evr5OryA+mLMlyRROyXBTlHKkUzZ9HfSYoUXyiCSaC6VsRGWKBidIRFXUIX5+i/0nTMe2K6d265drVKo4CnMIZXIANl1CDG6hDAwhweIAneDbujUfjxXhdtq4Zq5kT+AHj7RPuno/u</latexit>

interseta o eixo a1⃗ em a1⃗ /h, o eixo a2⃗


~a2
<latexit sha1_base64="DYDUjAxUZVaZrQHKpGo7EqMWQSg=">AAAB8XicbVDLTgJBEOz1ifhCPXqZSEw84S7xdSR68YiJPCJsyOzQCxNmZzczsySE8BdePGiMV//Gm3/jAHtQsJJOKlXd6e4KEsG1cd1vZ2V1bX1jM7eV397Z3dsvHBzWdZwqhjUWi1g1A6pRcIk1w43AZqKQRoHARjC4m/qNISrNY/loRgn6Ee1JHnJGjZWe2kNkhHbK54NOoeiW3BnIMvEyUoQM1U7hq92NWRqhNExQrVuemxh/TJXhTOAk3041JpQNaA9blkoaofbHs4sn5NQqXRLGypY0ZKb+nhjTSOtRFNjOiJq+XvSm4n9eKzXhjT/mMkkNSjZfFKaCmJhM3yddrpAZMbKEMsXtrYT1qaLM2JDyNgRv8eVlUi+XvKvS5cNFsXKbxZGDYziBM/DgGipwD1WoAQMJz/AKb452Xpx352PeuuJkM0fwB87nD4YskC4=</latexit>

~a2 /k
<latexit sha1_base64="at/Y5drRBqfbWV9hj0hY4xtnRX0=">AAAB73icbVDLTgJBEOzFF+IL9ehlIjHxRHaJryPRi0dM5JHAhswOvTBhdnadmSUhhJ/w4kFjvPo73vwbB9iDgpV0UqnqTndXkAiujet+O7m19Y3Nrfx2YWd3b/+geHjU0HGqGNZZLGLVCqhGwSXWDTcCW4lCGgUCm8HwbuY3R6g0j+WjGSfoR7QvecgZNVZqdUbICO1WusWSW3bnIKvEy0gJMtS6xa9OL2ZphNIwQbVue25i/AlVhjOB00In1ZhQNqR9bFsqaYTan8zvnZIzq/RIGCtb0pC5+ntiQiOtx1FgOyNqBnrZm4n/ee3UhDf+hMskNSjZYlGYCmJiMnue9LhCZsTYEsoUt7cSNqCKMmMjKtgQvOWXV0mjUvauypcPF6XqbRZHHk7gFM7Bg2uowj3UoA4MBDzDK7w5T86L8+58LFpzTjZzDH/gfP4ATUiPgA==</latexit>

1 1 em a2⃗ /k e o eixo a3⃗ em a3⃗ /ℓ


<latexit sha1_base64="o4FitFiekDztlMfML0ZAtBUTDdI=">AAACHHicbZDLSsNAFIYnXmu9VV26GSyCG0vSetsIRTcuK9gLNCFMpift0MmFmUmhhD6IG1/FjQtF3LgQfBunaRVt/WHg5zvncOb8XsyZVKb5aSwsLi2vrObW8usbm1vbhZ3dhowSQaFOIx6JlkckcBZCXTHFoRULIIHHoen1r8f15gCEZFF4p4YxOAHphsxnlCiN3ELFHgDFwi1f2r4gNLVGqQ2cjzJM3MrxD+59M8stFM2SmQnPG2tqimiqmlt4tzsRTQIIFeVEyrZlxspJiVCMchjl7URCTGifdKGtbUgCkE6aHTfCh5p0sB8J/UKFM/p7IiWBlMPA050BUT05WxvD/2rtRPkXTsrCOFEQ0skiP+FYRXicFO4wAVTxoTaECqb/immP6DSUzjOvQ7BmT543jXLJOiud3p4Uq1fTOHJoHx2gI2Shc1RFN6iG6oiie/SIntGL8WA8Ga/G26R1wZjO7KE/Mj6+ABqroWU=</latexit>

~ hk` · ~r2 = 0
<latexit sha1_base64="kZ52Pf/exStUBzO50z/Z3QZt3xY=">AAACB3icbVDLSsNAFJ3UV62vqEtBBovgqiTF10YoutBlBfuAJoTJ9LYdOnkwMymU0J0bf8WNC0Xc+gvu/BunaRbaeuDC4Zx7ufceP+ZMKsv6NgpLyyura8X10sbm1vaOubvXlFEiKDRoxCPR9okEzkJoKKY4tGMBJPA5tPzhzdRvjUBIFoUPahyDG5B+yHqMEqUlzzx0RkDxrZcOhg5wPnFoN1KZJrzqleWZZatiZcCLxM5JGeWoe+aX041oEkCoKCdSdmwrVm5KhGKUw6TkJBJiQoekDx1NQxKAdNPsjwk+1koX9yKhK1Q4U39PpCSQchz4ujMgaiDnvan4n9dJVO/STVkYJwpCOlvUSzhWEZ6GgrtMAFV8rAmhgulbMR0QQajS0ZV0CPb8y4ukWa3Y55Wz+9Ny7TqPo4gO0BE6QTa6QDV0h+qogSh6RM/oFb0ZT8aL8W58zFoLRj6zj/7A+PwBHmmY1Q==</latexit>

~r1
<latexit sha1_base64="ZC3G06WPKE8DCmKySW5/+RbO/Qg=">AAAB73icdVBNS8NAEJ3Ur1q/qh69LBbBU0jatLa3ohePFawttKFsttt26WYTdzeFEvonvHhQxKt/x5v/xu2HoKIPBh7vzTAzL4g5U9pxPqzM2vrG5lZ2O7ezu7d/kD88ulNRIgltkohHsh1gRTkTtKmZ5rQdS4rDgNNWML6a+60JlYpF4lZPY+qHeCjYgBGsjdTuTihBsuf28gXHdp1Sreghxy57XqlaNMQt1bxKFbm2s0ABVmj08u/dfkSSkApNOFaq4zqx9lMsNSOcznLdRNEYkzEe0o6hAodU+eni3hk6M0ofDSJpSmi0UL9PpDhUahoGpjPEeqR+e3PxL6+T6EHVT5mIE00FWS4aJBzpCM2fR30mKdF8aggmkplbERlhiYk2EeVMCF+fov/JXdF2K3b5xivUL1dxZOEETuEcXLiAOlxDA5pAgMMDPMGzdW89Wi/W67I1Y61mjuEHrLdP0x2P3A==</latexit>

<latexit sha1_base64="wxFffG8n/Kv2zTcgKp31GE7SA4A=">AAAB8XicbVDLTgJBEOzFF+IL9ehlIjHxhLvG15HoxSMm8oiwIbNDAxNmZzczsyRkw1948aAxXv0bb/6NA+xBwUo6qVR1p7sriAXXxnW/ndzK6tr6Rn6zsLW9s7tX3D+o6yhRDGssEpFqBlSj4BJrhhuBzVghDQOBjWB4N/UbI1SaR/LRjGP0Q9qXvMcZNVZ6ao+QEdrxzgadYsktuzOQZeJlpAQZqp3iV7sbsSREaZigWrc8NzZ+SpXhTOCk0E40xpQNaR9blkoaovbT2cUTcmKVLulFypY0ZKb+nkhpqPU4DGxnSM1AL3pT8T+vlZjejZ9yGScGJZsv6iWCmIhM3yddrpAZMbaEMsXtrYQNqKLM2JAKNgRv8eVlUj8ve1fly4eLUuU2iyMPR3AMp+DBNVTgHqpQAwYSnuEV3hztvDjvzse8NedkM4fwB87nD4AakCo=</latexit>

~r2 = ~a3 ~a1 G


~a1 /h ` h

~a1 NOTA: Nas redes cúbicas, os planos são SEMPRE referidos aos vetores da rede cúbica simples
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Partícula num potencial periódico
Zon s de Brillouin

~a2
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~b2
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~b1
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~a1
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2ª zona de Brillouin

Célula de Wigner-Seitz
1ª zona de Brillouin
a
0 0 0 1/2C 1/2
1/4 1/2
1/4 L 1/4 1/2 P 0 1/2 X f = (1 + a /b # a /c )/4, g = (1 + a /b + a /c )/4
tice (see Fig. 1 and Table
A.1.2)
Cubic (CUB, cP) 1/2 $1/2 1/2 H 0 0 1/2 N
A.3. Body-centered cubic (BCC, cI)
a; 0; 0Þ
Lattice (see Fig. 1 and Table 2)
0; a; 0Þ (See Fig. 3 and TableA.3.
4.) Body-centered cubic (BCC, cI)

Partícula num potencial periódico


a1 ¼ ða; 0; 0Þ Table 10
0; 0; aÞ Symmetry k-points of ORCF2.
a2 ¼ ð0; a; 0Þ Conventional lattice Primitive
(See Fig. 3 and Table 4.) lattice
a3 ¼ ð0; 0; aÞ a1 = (a, 0, 0) a1 = ($a/2, a/2, a/2) $b1 $b2 $b3 $b1 $b2 $b3

ce-centered cubic (FCC, cF) a2 = (0, a, 0) Conventional latticea2 = (a/2, $a/2, a/2) Primitive lattice 0 0 0 C 1#/ 1/2 # / 1/2 H
Fig. 8. Brillouin zone of ORCF1 lattice. Path: C–Y–T–Z–C–X–A1–YjT–X1jX–A–ZjL–C.
a3 = (0, 0, a) a1 = (a, 0, 0) a3 = (a/2, a/2, $a/2) a1 = ($a/2, a/2, a/2) 1/2 1/2 # g 1#g C / 1/2 + / 1/2 H1
W. Setyawan, S. Curtarolo / Computational Materials Science 49 (2010) 299–312 An example of band structure using this path is given in Fig. 33.
a2 = (0, a, 0) a2 = (a/2, $a/2, a/2) 1/2 1/2 + g g C1 0 1/2 1/2 X
e Fig. 2 and Table 3.) A.2. Face-centered cubic (FCC, cF)

1ª zon de Brillouin e pontos de elev d simetri


1/2 # d 1/2 1#d D 1/2 0 1/2 Y
Table 2 a3 = (0, 0, a) a3 = (a/2, a/2, $a/2)
should be followed. Unit cells must first 1/2 + d 1/2 d D1 1/2 1/2 0 Z
ventional they should(See
lattice
imitives, then Fig. 2 and
be appropri- Table 3.) k-points
Symmetry
Primitive latticeof CUB lattice. 1/2 1/2 1/2 L
A.4. Tetragonal (TET, tP)
(a, 0,the
efore 0)static run, the cells should be re- a = (0, a/2,%b a/2) g = (1 + a /b # a2/c2)/4,
2 2
d = (1 + b2/a2 # b2/c2)/4
Conventional lattice1 %b1 2 %b3 %b1
Primitive lattice %b2 %b3
Fig. 5. Brillouin zone of BCT1 lattice. Path: C–X–M–C–Z–P–N–Z / = (1 +1–MjX–P. An2)/4
c2/b2 # c2/a
(0, a, 0) a2 0= (a/2, 0,0 a/2) A.4. Tetragonal (TET, tP)
mitive (symmetry and orientation
a1 = (a, 0,might
0) 0 aLattice
1 =
C (0, (see Fig. 4 and Table
a/2,
1/2a/2) 1/2 1/2 5) R example of band structure using this path is given in Fig. 30.
(0, 0, a) The user shouldathen
elaxation). perform a3 1/2
= (a/2, a/2,
1/2 0) 0 a2 M 0 a/2) 1/2 0 X
2 = (0, a, 0) = (a/2, 0,
Lattice (see Fig. 4 and Table 5)
ject the eigenvalues along athe directions
3 = (0, 0, a) a3 = (a/2, a/2, 0)
e ‘‘kpath” option. If the user is running
Fig. 4. Brillouin zone of TET lattice. Path: C–X–M–C–Z–R–A–ZjX–RjM–A. An
interface can also prepare a template in-
example of band structure using this path is given in Fig. 29.
erforms all the mentioned tasks. b2 b1
b2 b1 b2 b1
P
Table 5 L P
Fig. 9. Brillouin zone of ORCF3 lattice. Path: C–Y–T–Z–C–X–A1–YjX–A–ZjL–C. An
ume, Stephanie Lam, Robert Feigelson, Symmetry k-points of TET lattice. example of band structure using this path is given in Fig. 35.
U H %b
s Hart, Leeor Kronik, Roman Chepulskyy Γ H
%b1
Γ
%b2 %b3 %b1 %b2
Γ 3
uitful discussions. Research supported by
0 0 0 X C N
0 b3 1/2 Variations:
1/2 R
N
N00014-07-1-1085, N00014-09-1-0921, 1/2 1/2 Xb3
and NSF (DMR-0639822 and DMR- 1/2 1/2
K W01/2 A
M
0
0
1/2
0
0
ORCF 2
1/2 1 : 1=aZ >
2
1=b þ 1=c2
ul for extensive use of the Teragrid re- 2
ORCF2 : 1=a2 < 1=b þ 1=c2
C acknowledges the Feinberg support at
a1 ¼ ða; 0; 0Þ 2
Science. ORCF3 : 1=a2 ¼ 1=b þ 1=c2
a2 ¼ ð0; a; 0Þ b3
a3 ¼ ð0; 0; cÞ
A.8. Body-centered orthorhombic (ORCI, oI)
FCCFig. 3.An
Brillouin zone of BCC lattice.
Fig. 3. Path: C–H–N– C–P-HjP-N.
BCC lattice.An example ofCband band of BCT2 lattice. Path: C–X–Y–R–C–Z–Fig. 11. Brillouin zone of ORCI lattice. Path: C–X–L–T–W–R–X1–Z–C–Y–S–WjL

Rede cúbica Rede cúbica RedeOrdering


cúbica of the conventional lattice:Rede
a < b < c. tetragonal Rede ortorrômbica
Brillouin zone of CUB lattice. Fig.
Path:1. C –X–M–C
Brillouin –R–XjM–R.
zone Fig.
of CUB An2.example
lattice. Path: Cof
Brillouin bandC
zone
–X–M– of–R–XjM–R.
lattice. Path: C
example –X–W–K–
of band Brillouin
C–L–U–W–L–KjU–X. zone
An of Path: C–H–N– Fig.
–P-HjP-N. An6.example
Brillouin
of zone R1–N–P–Y 1–ZjX–P. An
Fig. 26. using this path isexample
e using this path is given instructure given inof band
Fig. structure
26. structure using this pathusing this in
is given path
Fig.is27.
given in Fig.
structure 28. this path is given in Fig. 28.
using example of band structure using this path is given in Fig. 31.YjY1–Z. An example of band structure using this path is given in Fig. 36.
ectors implemented in AFLOW is given A.5. Body-centered tetragonal (BCT, tI) (See Fig. 11 and

simples
lattice is the same as the conventional
attice”. Variables a, b, c, a, b, c denote Table 3
de faces centradas de corpo centrado
(See Figs. 5 and 6 and Tables 6 and 7.)
Table 11.)
de corpo centrado de corpo centrado
Conventional lattice Primitive lattice A.9. C-centered orthorhombic (ORCC, oS)
raxial angles of the conventional lattice Symmetry k-points of FCC lattice. Table 6
kb, kc are those of the primitive recipro- %b1 %b2 %b3
Conventional %b1
lattice
%b2 %b3
Primitivealattice
1 = (a, 0, 0) a1 = (#a/2, b/2, c/2)
Symmetry k-points of BCT1 lattice.
a1 = (a, 0, 0) a1 = ($a/2,a2 a/2,
= (0,c/2)
b, 0) a2 = (a/2, #b/2, c/2) Ordering of the conventional lattice: a < b. (See Fig. 12 an
3. The coordinates of symmetry k-points
a2 = (a/2, a$a/2,
0 0 0 C 5/8 1/4 5/8 U 3 = (0, 0, c)
%b1 %b2 %b3 a3 = (a/2, b/2,%b#c/2)
1 %b2 Table %b
12.)
3
1, b2, b3. 3/8 3/8 3/4
a2 =K (0, a, 0)
1/2 1/4 3/4 W
c/2)
a3 =L (0, 0, c) a3 = (a/2, a/2, $c/2) 0 0 0 C 0 0 1/2 X
1/2 1/2 1/2 1/2 0 1/2 X
$1/2 1/2 1/2 M g g $g Z

As linhas a vermelho indicam “trajetos” na 1ª1/4 zona 1/4de Brillouin que ligam
0 1/2 0 N $g 1$g g Z1
1/4 P
Table 2) g = (1 + c /a )/4 2 2

pontos de elevada simetria, permitindo fazer uma “amostragem” dos valores


A.3. Body-centered cubic (BCC, cI)
Variations:

de k ⃗ BCT
como
(See Fig. 3 and TableBCT
: c > a se este
4.) 1 : c < a
fosse uma grandeza unidimensional e não um vetor…
Conventional lattice 2 Primitive lattice Table 7
a1 = (a, 0, 0) a1 = ($a/2, a/2, a/2) Symmetry k-points of BCT2 lattice.
CC, cF) a2 = (0, a, 0) a2 = (a/2, $a/2, a/2)
A.6. Orthorhombic (ORC, oP) %b1 %b2 %b3 %b1 %b2 %b3
a3 = (0, 0, a) a3 = (a/2, a/2, $a/2)
a
a
a
a
Partícula num potencial periódico
Condições fronteir de Born-von K rm n

Como podemos ter vetores da rede direta não-ortogonais entre si,


é mais útil de nir as condições fronteira pensando num poliedro de lados
N1a1⃗ , N2a2⃗ e N3a3⃗ (N1, N2, N3 ∈ ℕ)
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(~r + Ni~ai ) = (~r), i = 1, 2, 3

i~ iNi~
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~ iNi~
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~ k·R k·~
ai k·~
ai
k (~
n~ r + R) = e k (~
n~ r) k (~
n~ r + Ni~ai ) = e k (~
n~ r), i = 1, 2, 3 e = 1, i = 1, 2, 3

Se escrevermos k ⃗ na base da rede recíproca… Ni ⇣i 2⇡ = 2⇡mi , mi 2 Z


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~k = ⇣1~b1 + ⇣2~b2 + ⇣3~b3


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mi
<latexit sha1_base64="BKv3cpYcnxi1NFTdiKvUgFqWDJE=">AAACFXicbVDLSsNAFJ3UV62vqEs3g0VwUUoivjZC0Y0rqWAf2IQwmU7aoZNJmJkINeQn3Pgrblwo4lZw5984abPQ6oEZzpxzL3Pv8WNGpbKsL6M0N7+wuFRerqysrq1vmJtbbRklApMWjlgkuj6ShFFOWooqRrqxICj0Gen4o4vc79wRIWnEb9Q4Jm6IBpwGFCOlJc+sOfdEIY+eOYFAOA09mqVX+qo50IH65VDuhEgNfT+9zTyzatWtCeBfYhekCgo0PfPT6Uc4CQlXmCEpe7YVKzdFQlHMSFZxEklihEdoQHqachQS6aaTrTK4p5U+DCKhD1dwov7sSFEo5Tj0dWU+oZz1cvE/r5eo4NRNKY8TRTiefhQkDKoI5hHBPhUEKzbWBGFB9awQD5GOR+kgKzoEe3blv6R9ULeP60fXh9XGeRFHGeyAXbAPbHACGuASNEELYPAAnsALeDUejWfjzXiflpaMomcb/ILx8Q0CAJ9d</latexit>

⇣i = , mi 2 Z
Ni

[ 2 2[
Ni Ni
mi ∈ − , pois k ⃗ é periódico na rede recíproca…
fi
a
a
a
Partícula num potencial periódico
Teorem de Bloch

Teorema de Bloch
i~
<latexit sha1_base64="AIxdP64HcYtONAfcizjtRCEbAoE=">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</latexit>

~ ~
k·R
ikd k (~
n~ r + R) = e k (~
n~ r)
<latexit sha1_base64="2RRElZRfUdHu/9f0IxklIrUXwAY=">AAACCHicbVDLSsNAFJ34rPUVdenC0CK0FEoi+NgIRTcuK9gHNLFMJtN26GQSZibSELJ049q/cONCEbd+grv+jdOmC209cOFwzr3ce48bUiKkaY61peWV1bX13EZ+c2t7Z1ff22+KIOIIN1BAA952ocCUMNyQRFLcDjmGvktxyx1eT/zWA+aCBOxOxiF2fNhnpEcQlErq6kd2KEhpVPHKl7bvBqMEp/cJGXppppe7etGsmlMYi8SakWKtYFeex7W43tW/bS9AkY+ZRBQK0bHMUDoJ5JIgitO8HQkcQjSEfdxRlEEfCyeZPpIax0rxjF7AVTFpTNXfEwn0hYh9V3X6UA7EvDcR//M6kexdOAlhYSQxQ9miXkQNGRiTVAyPcIwkjRWBiBN1q4EGkEMkVXZ5FYI1//IiaZ5UrbPq6a1K4wpkyIFDUAAlYIFzUAM3oA4aAIFH8ALewLv2pL1qH9pn1rqkzWYOwB9oXz97Wpyh</latexit>

(x + d) = e (x)
(d = na, n 2 Z, k 2 R) ~a1 , ~a2 , ~a3 são os vetores unitários da rede de Bravais
<latexit sha1_base64="jy5BOQ5fgHVtkCVEWV8CHWLpz1I=">AAACDXicbVDLSsNAFJ3UV62vqEs3oVWoWEoi+NgIRTcuq9gHNqFMJtN26GQSZiZCCPkBN278EDcuFHHr3l3/xknbRa0eGDhzzr3ce48bUiKkaY603MLi0vJKfrWwtr6xuaVv7zRFEHGEGyigAW+7UGBKGG5IIiluhxxD36W45Q6vMr/1gLkgAbuTcYgdH/YZ6REEpZK6+n7Zu2CwwmzCbB/Kgesm92llOPO9TQ+7esmsmmMYf4k1JaVa0T56HtXielf/tr0ART5mElEoRMcyQ+kkkEuCKE4LdiRwCNEQ9nFHUQZ9LJxkfE1qHCjFM3oBV49JY6zOdiTQFyL2XVWZrSjmvUz8z+tEsnfuJISFkcQMTQb1ImrIwMiiMTzCMZI0VgQiTtSuBhpADpFUARZUCNb8yX9J87hqnVZPblQal2CCPNgDRVAGFjgDNXAN6qABEHgEL+ANvGtP2qv2oX1OSnPatGcX/IL29QNCsJ6w</latexit>

<latexit sha1_base64="HOr/xNngXuRTpfIEcs9YvP13lMw=">AAACB3icbZDLSsNAFIZPvNZ6i7oUZLAILqQk9bosunFZwV6gCWEynbRDJxdmJoUSunPjq7hxoYhbX8Gdb+O0DaitPwx8/OcczpzfTziTyrK+jIXFpeWV1cJacX1jc2vb3NltyDgVhNZJzGPR8rGknEW0rpjitJUIikOf06bfvxnXmwMqJIujezVMqBvibsQCRrDSlmceOANKEPbsEwflWPnBU88sWWVrIjQPdg4lyFXzzE+nE5M0pJEiHEvZtq1EuRkWihFOR0UnlTTBpI+7tK0xwiGVbja5Y4SOtNNBQSz0ixSauL8nMhxKOQx93Rli1ZOztbH5X62dquDKzViUpIpGZLooSDlSMRqHgjpMUKL4UAMmgum/ItLDAhOloyvqEOzZk+ehUSnbF+Xzu7NS9TqPowD7cAjHYMMlVOEWalAHAg/wBC/wajwaz8ab8T5tXTDymT34I+PjG4yslzU=</latexit>

~ = n1~a1 + n2~a2 + n3~a3


<latexit sha1_base64="rveGZzA5LqFsJRoTzTGUx6bz7no=">AAACE3icbZDLSgMxFIbPeK31VnXpJlgEUSgzrbeNUHTjsoq9QDsMmTTThmYyQ5IplNJ3cOOruHGhiFs37nwb03YW2vpD4OM/53Byfj/mTGnb/rYWFpeWV1Yza9n1jc2t7dzObk1FiSS0SiIeyYaPFeVM0KpmmtNGLCkOfU7rfu9mXK/3qVQsEg96EFM3xB3BAkawNpaXO271KUH3V8JzJoQ950R4xZSLhkspl7xc3i7YE6F5cFLIQ6qKl/tqtSOShFRowrFSTceOtTvEUjPC6SjbShSNMenhDm0aFDikyh1ObhqhQ+O0URBJ84RGE/f3xBCHSg1C33SGWHfVbG1s/ldrJjq4dIdMxImmgkwXBQlHOkLjgFCbSUo0HxjARDLzV0S6WGKiTYxZE4Ize/I81IoF57xwdneaL1+ncWRgHw7gCBy4gDLcQgWqQOARnuEV3qwn68V6tz6mrQtWOrMHf2R9/gBheJv5</latexit>

R n1 , n 2 , n 3 2 N
<latexit sha1_base64="q04mzcARG137Ee9TdPNhQC0IFew=">AAACB3icbVDLSsNAFJ3UV62vqEtBBovgopSkPpdFN66kgq2FJoTJdNIOnUzCzEQooTs3/oobF4q49Rfc+TdO0iy09cAMh3Pu5d57/JhRqSzr2ygtLC4tr5RXK2vrG5tb5vZOR0aJwKSNIxaJro8kYZSTtqKKkW4sCAp9Ru790VXm3z8QIWnE79Q4Jm6IBpwGFCOlJc/c555dc2rca+T/sQMdyp0QqaHvpzcTz6xadSsHnCd2QaqgQMszv5x+hJOQcIUZkrJnW7FyUyQUxYxMKk4iSYzwCA1IT1OOQiLdNL9jAg+10odBJPTjCubq744UhVKOQ19XZhvKWS8T//N6iQou3JTyOFGE4+mgIGFQRTALBfapIFixsSYIC6p3hXiIBMJKR1fRIdizJ8+TTqNun9VPb0+qzcsijjLYAwfgCNjgHDTBNWiBNsDgETyDV/BmPBkvxrvxMS0tGUXPLvgD4/MHxPWYBQ==</latexit>

k = ⇣b
<latexit sha1_base64="3JqtsA+KNbk7ANpNKMsNuvmMHd8=">AAAB8HicbVDJSgNBEO2JW4xb1KMijUHwFGYEl4sQ9OIxAbNIMoSeTk3SpLtn6O4RYsjRL/DiQRGvfkG+w5vf4E/YWQ6a+KDg8V4VVfWCmDNtXPfLSS0sLi2vpFcza+sbm1vZ7Z2KjhJFoUwjHqlaQDRwJqFsmOFQixUQEXCoBt3rkV+9B6VZJG9NLwZfkLZkIaPEWOmue9l4AENw0Mzm3Lw7Bp4n3pTkCvvD0vfjwbDYzH42WhFNBEhDOdG67rmx8ftEGUY5DDKNRENMaJe0oW6pJAK03x8fPMBHVmnhMFK2pMFj9fdEnwiteyKwnYKYjp71RuJ/Xj0x4YXfZzJODEg6WRQmHJsIj77HLaaAGt6zhFDF7K2Ydogi1NiMMjYEb/bleVI5yXtn+dOSTeMKTZBGe+gQHSMPnaMCukFFVEYUCfSEXtCro5xn5815n7SmnOnMLvoD5+MHOZGTvw==</latexit>

2⇡
<latexit sha1_base64="02BpLHWC+/NzwQckEKUr3Mo8SN4=">AAAB+XicbVDLSsNAFL2pr1pfURciboJFcFWSgtqNUHTjsoJ9QBPKZDpph04mYWZSKCF/4saFIm79EXGnG7d+htPHQlsPXDiccy/33uPHjEpl2x9Gbml5ZXUtv17Y2Nza3jF39xoySgQmdRyxSLR8JAmjnNQVVYy0YkFQ6DPS9AfXY785JELSiN+pUUy8EPU4DShGSksd0/Qv3UAgnJbdmGYpyjpm0S7ZE1iLxJmRYrXy9Xbw+X1Y65jvbjfCSUi4wgxJ2XbsWHkpEopiRrKCm0gSIzxAPdLWlKOQSC+dXJ5ZJ1rpWkEkdHFlTdTfEykKpRyFvu4MkerLeW8s/ue1ExVUvJTyOFGE4+miIGGWiqxxDFaXCoIVG2mCsKD6Vgv3kQ5C6bAKOgRn/uVF0iiXnPPS2a1O4wqmyMMRHMMpOHABVbiBGtQBwxDu4RGejNR4MJ6Nl2lrzpjN7MMfGK8/FLGXuQ==</latexit>

~k = ⇣1~b1 + ⇣2~b2 + ⇣3~b3


<latexit sha1_base64="Qq9D9RoQ1Kd3YwSryv43/955Dew=">AAACH3icbVBLSwMxEM76rPVV9eglWARBKLutVi9C0YvHCvYB3WXJprNtaPZBki3Upf/Ei3/FiwdFxFv/jWm7B20dCHyPGSbzeTFnUpnmxFhZXVvf2Mxt5bd3dvf2CweHTRklgkKDRjwSbY9I4CyEhmKKQzsWQAKPQ8sb3E391hCEZFH4qEYxOAHphcxnlCgtuYWqPQSKBzf2EyjiWjPmudb5nJczXs54JeMVt1A0S+as8DKwMlBEWdXdwrfdjWgSQKgoJ1J2LDNWTkqEYpTDOG8nEmJCB6QHHQ1DEoB00tl9Y3yqlS72I6FfqPBM/T2RkkDKUeDpzoCovlz0puJ/XidR/rWTsjBOFIR0vshPOFYRnoaFu0wAVXykAaGC6b9i2ieCUKUjzesQrMWTl0GzXLKqpcuHi2LtNosjh47RCTpDFrpCNXSP6qiBKHpGr+gdfRgvxpvxaXzNW1eMbOYI/Slj8gOTkKFz</latexit>

b=
a  
<latexit sha1_base64="4Htk3IkACq6ihNGYXcw4hc7Z5gc=">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</latexit>

~
a ⇥ ~
a
<latexit sha1_base64="WX/Jkp6oeBNnOy4Gv3nAGi/aRKs=">AAACSHicbVA9SwNBEN2LXzF+RS1tFoOgTbiLn40QtLFUMCrkwrG3mYtr9j7YnQuE436ejaWdv8HGQhE7N/EEoz5YePPmDTP7/EQKjbb9ZJWmpmdm58rzlYXFpeWV6uralY5TxaHFYxmrG59pkCKCFgqUcJMoYKEv4drvn4761wNQWsTRJQ4T6ISsF4lAcIZG8qqeOwBOfU8cN9xEuJBoIY2eibt+7gaK8WxsYN6diyIEXVT9/Ft3XN6NcbuoGhOu3Z3cq9bsuj0G/UucgtRIgXOv+uh2Y56GECGXTOu2YyfYyZhCwSXkFTfVkDDeZz1oGxoxs66TjYPI6ZZRujSIlXkR0rH6cyJjodbD0DfOkOGt/t0bif/12ikGR51MREmKEPGvRUEqKcZ0lCrtCgUc5dAQxpUwt1J+y0x8aLKvmBCc31/+S64adeegvn+xV2ueFHGUyQbZJNvEIYekSc7IOWkRTu7JM3klb9aD9WK9Wx9f1pJVzKyTCZRKn9FOsuc=</latexit>

m N N ~bi = 2⇡✏ijk j k
⇣= , m 2 Z, m 2 , ~a1 · (~a2 ⇥ ~a3 )
N 2 2   <latexit sha1_base64="wtkx1y7LsSzWyVgeDSJDHBMxxDI=">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</latexit>

mi Ni Ni
⇣i = , mi 2 Z, mi 2 ,
Teorema de Bloch Ni 2 2
i~
<latexit sha1_base64="BHuV1Js1DJn+nfHdh/hZqbQQ9Ds=">AAACMHicbVDLSgMxFM34tr6qLt0Ei1A3ZUZ8bYSiC10qWCt0xpJJbzU0kwxJpliG+SQ3fopuFBRx61eYdmah1gMhh3PuIbknjDnTxnVfnYnJqemZ2bn50sLi0vJKeXXtSstEUWhQyaW6DokGzgQ0DDMcrmMFJAo5NMPeydBv9kFpJsWlGcQQRORWsC6jxFipXT71Y83aqfD7QHEvq45utX3kR6G8TyG7SVlu+bQjTe5myXigXa64NXcEPE68glRQgfN2+cnvSJpEIAzlROuW58YmSIkyjHLISn6iISa0R26hZakgEeggHS2c4S2rdHBXKnuEwSP1ZyIlkdaDKLSTETF3+q83FP/zWonpHgYpE3FiQND8oW7CsZF42B7uMAXU8IElhCpm/4rpHVGEGttxyZbg/V15nFzt1Lz92t7FbqV+XNQxhzbQJqoiDx2gOjpD56iBKHpAz+gNvTuPzovz4XzmoxNOkVlHv+B8fQP/xqoo</latexit>

k·~
r
ikx (~
r ) =e un~k (~r)
<latexit sha1_base64="7Az53LnGTC5do95QTAyiDLHJhHA=">AAACA3icbVDLSsNAFJ3UV62vqDvdDC1CRSiJ4GMjFN24rGAf0MQymU7aoZNMmJlIQwi48Q/8BjcuFHHrT7jr3zh9LLR64MLhnHu59x4vYlQqyxoZuYXFpeWV/GphbX1jc8vc3mlIHgtM6pgzLloekoTRkNQVVYy0IkFQ4DHS9AZXY795T4SkPLxVSUTcAPVC6lOMlJY65p4TSVoeHl44gceHKcnuUjoYZrGWOmbJqlgTwL/EnpFStegcPY2qSa1jfjldjuOAhAozJGXbtiLlpkgoihnJCk4sSYTwAPVIW9MQBUS66eSHDB5opQt9LnSFCk7UnxMpCqRMAk93Bkj15bw3Fv/z2rHyz92UhlGsSIini/yYQcXhOBDYpYJgxRJNEBZU3wpxHwmElY6toEOw51/+SxrHFfu0cnKj07gEU+TBPiiCMrDBGaiCa1ADdYDBA3gGr+DNeDRejHfjY9qaM2Yzu+AXjM9vBCeawQ==</latexit>

(x) = e u(x) ~
nk
<latexit sha1_base64="3yKQBNDfs368QPLqHF1uElFKBgo=">AAAB83icbVDJSgNBEK2JW4xb1KOXIUFICIQZweUiBL14jGAWyAyhp9OTNOnpGXoRw5C/EC8eFPHqz3jL39hZDpr4oKjHe1V09QsSRqVynImVWVvf2NzKbud2dvf2D/KHR00Za4FJA8csFu0AScIoJw1FFSPtRBAUBYy0guHt1G89EiFpzB/UKCF+hPqchhQjZSRPl54qHJWvTS9380Wn6sxgrxJ3QYq1gld5ntRG9W7+2+vFWEeEK8yQlB3XSZSfIqEoZmSc87QkCcJD1CcdQzmKiPTT2c1j+9QoPTuMhSmu7Jn6eyNFkZSjKDCTEVIDuexNxf+8jlbhlZ9SnmhFOJ4/FGpmq9ieBmD3qCBYsZEhCAtqbrXxAAmElYkpZ0Jwl7+8SppnVfeien5v0riBObJwAgUogQuXUIM7qEMDMCTwAm/wbmnr1fqwPuejGWuxcwx/YH39AJWIk7o=</latexit>

u(x + na) = u(x)


~ = u ~ (~r)
<latexit sha1_base64="IBySOqSKdj+3GlBV3ujarWZL5Po=">AAACF3icbVDLSsNAFJ3UV62vqEs3g0VoEUIivjZC0Y3LKvYBbQiT6aQdOpmEmUmhhP6FG3/FjQtF3OrOv3GaZqGtB4Z7OOde7tzjx4xKZdvfRmFpeWV1rbhe2tjc2t4xd/eaMkoEJg0csUi0fSQJo5w0FFWMtGNBUOgz0vKHN1O/NSJC0og/qHFM3BD1OQ0oRkpLnmklXsq7I4LhcFLJqjjOyn31atGqembZtuwMcJE4OSmDHHXP/Or2IpyEhCvMkJQdx46VmyKhKGZkUuomksQID1GfdDTlKCTSTbO7JvBIKz0YREI/rmCm/p5IUSjlOPR1Z4jUQM57U/E/r5Oo4NJNKY8TRTieLQoSBlUEpyHBHhUEKzbWBGFB9V8hHiCBsNJRlnQIzvzJi6R5Yjnn1tndabl2ncdRBAfgEFSAAy5ADdyCOmgADB7BM3gFb8aT8WK8Gx+z1oKRz+yDPzA+fwAuhJ6t</latexit>

un~k (~r + R)
(n 2 Z, k 2 R) nk
<latexit sha1_base64="ltoYb6DZOj0mPH4cFvMJlLCRCQI=">AAACCHicbVC7TsMwFHXKq5RXgJEBqxVSEahKkHiMFSyMBdGHaKLKcZ1i1XEi20GKoo4szPwFCwMIsfIJbP0bnLZDaTmSpeNz7tW993gRo1JZ1tDILSwuLa/kVwtr6xubW+b2TkOGscCkjkMWipaHJGGUk7qiipFWJAgKPEaaXv8q85uPREga8juVRMQNUI9Tn2KktNQx98vcodwJkHrwvPR+cNyf+t4ODjtmyapYI8B5Yk9IqVp0jl6G1aTWMX+cbojjgHCFGZKybVuRclMkFMWMDApOLEmEcB/1SFtTjgIi3XR0yAAeaKUL/VDoxxUcqdMdKQqkTAJPV2YrylkvE//z2rHyL9yU8ihWhOPxID9mUIUwSwV2qSBYsUQThAXVu0L8gATCSmdX0CHYsyfPk8ZJxT6rnN7oNC7BGHmwB4qgDGxwDqrgGtRAHWDwBF7BO/gwno0349P4GpfmjEnPLvgD4/sX4yGc4g==</latexit>
a
Curtarolo / Computational Materials Science 49 (2010) 299–312

cells must first


ld be appropri-
Table 2
Symmetry k-points of CUB lattice.
Partícula num potencial periódico
Estrutur de b nd s: rede v zi (V(x) = 0)
ls should be re- %b1 %b2 %b3 %b1 %b2 %b3
entation might 0 0 0 C 1/2 1/2 1/2 R
d then perform 1/2 1/2 0 M 0 1/2 0 X
g the directions
user is running
e a template in-
d tasks.

Rede cúbica de corpo centrado Rede cúbica de faces centradas Rede hexagonal compacta
b2 b1

L
bert Feigelson, U
man Chepulskyy
h supported by Γ
X
014-09-1-0921,
22 and DMR- K W
he Teragrid re-
berg support at
b3

Fig. 2. Brillouin zone of FCC lattice. Path: C–X–W–K–C–L–U–W–L–KjU–X. An


example of band structure using this path is given in Fig. 27.
FLOW is given
e conventional
a, b, c denote Table 3
entional lattice Symmetry k-points of FCC lattice.
mitive recipro- %b1 %b2 %b3 %b1 %b2 %b3
metry k-points
0 0 0 C 5/8 1/4 5/8 U
3/8 3/8 3/4 K 1/2 1/4 3/4 W
1/2 1/2 1/2 L 1/2 0 1/2 X

A.3. Body-centered cubic (BCC, cI)

(See Fig. 3 and Table 4.)

Conventional lattice Primitive lattice


a1 = (a, 0, 0) a1 = ($a/2, a/2, a/2)
302 W. Setyawan, S. Curtarolo / Computational Materials Science 49 (2010) 299–312
a2 = (0, a, 0) a2 = (a/2, $a/2, a/2)
a3 = (0, 0, a) a3 = (a/2, a/2, $a/2) Table 2
The following protocol should be followed. Unit cells must first
Symmetry k-points of CUB lattice.
be reduced to standard primitives, then they should be appropri-
mitive lattice ately relaxed (if needed). Before the static run, the cells should be re- %b1 %b2 %b3 %b1 %b2 %b3
A.4. Tetragonal (TET, tP)
= (0, a/2, a/2) duced again to standard primitive (symmetry and orientation might 0 0 0 C 1/2 1/2 1/2 R
= (a/2, 0, a/2) have changed during the relaxation). The user should then perform 1/2 1/2 0 M 0 1/2 0 X
W. Setyawan, S. Curtarolo / Computational Materials Science 49 (2010) 299–312 305
Lattice (see Fig. 4 and Table 5)
= (a/2, a/2, 0) the static run and then project the eigenvalues along the directions
which are specified in the ‘‘kpath” option. If the user is running
AFLOW and VASP, the web interface can also prepare a template in- Table 11
put file ‘‘aflow.in” which performs all the mentioned tasks.
Symmetry k-points of ORCI.
b2 b1 b2 b1
Acknowledgments
P &b1 &bL2 &b3 &b1 &b2 &b3
We thank Romain Gaume, Stephanie Lam, Robert Feigelson, 0 0 U0 C 1/4 1/4 1/4 W
Ohad Levy, Mike
H Mehl, Gus Hart, Leeor Kronik, Roman Chepulskyy
Γ !l Γl 1/2 ! d L !f f f X
and Michal Jahnátek for fruitful discussions. Research supported by X+d
N b3 (N00014-07-1-0878, N00014-07-1-1085, N00014-09-1-0921,
ONR l !l 1/2 L1 f 1!f !f X1
and N00014-10-1-0436), and NSF (DMR-0639822 and DMR- 1/2 ! d 1/2 K+dW !l L2 g !g g Y
0650406). We are grateful for extensive use of the Teragrid re- 0 1/2 0 R 1!g g !g Y1
sources (MCA-07S005). SC acknowledges the Feinberg support at
1/2 0 0 S 1/2 1/2 !1/2 Z
the Weizmann Institute of Science.
0 0 b3 1/2 T
f = (1 + a2/c2)/4, d = (b2 ! a2)/(4c2)
Appendix A
An example of band Fig. 3. Brillouin zone of BCC lattice. Path: C–H–N–C–P-HjP-N. An example of band Fig. 2. Brillouin zonegof= FCC b2/c2Path:
(1 +lattice. )/4, C–X–W–K–C–L–U–W–L–KjU–X. An l = (a2 + b2)/(4c2)
structure using this path is given in Fig. 28. example of band structure using this path is given in Fig. 27. Fig. 13. Brillouin zone of HEX lattice. Path: C–M–K–C–A–L–H–AjL–MjK–H. An
a
a
a
a
a
Partícula num potencial periódico
Estrutur de b nd s

Au

Fm3̄m
a
a
a
Partícula num potencial periódico
Estrutur de b nd s

SiC

P3m1
a
a
a
Partícula num potencial periódico
Estrutur de b nd s

Rb(MoS)3

P63/m
a
a
a
Partícula num potencial periódico
Fig.8 Surfaces of the first, second, and third Brillouin zones for (a) body-cente
and (b) face-centered cubic crystals. (Only the exterior surfaces are sho
interior surface of the nth zone is identical to the exterior surface of the (n−l)
Superfície de Fermi
Evidently the surfaces bounding the zones become increasingly complex as
number increases.
⇣ ⌘
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✏n ~k = ✏F de ne a super ície de Fermi


The free electron Fermi surfaces for fcc cubic metals of valence 2 and 3 are shown in Fig.

1ª ZB 2ª ZB 3ª ZB 4ª ZB

Divalentes

Trivalentes

Au

Metais simples que cristalizam na rede cúbica de faces centradas


Fig.9 The free electron Fermi surfaces for face-centered cubic metals of valence 2 and 3. (For valence 1 th
fi
f
Partícula num potencial periódico
Densid de de est dos

Z ⇣ ⌘
2
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gn (✏) = d~k ✏ ✏n (~k)


(2⇡)3
Z
dS 1
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=
Sn (✏) 4⇡ 3 r ✏ (~k)
k n
~

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Sn (✏) Z Z
dS dS d✏
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gn (✏)d✏ = k(~k) =
~k
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Sn (✏) 4⇡ 3 Sn (✏) 4⇡ 3 r ✏ (~k)


<latexit sha1_base64="yTTKlaA17/MZzlgozjxuDJ79ojs=">AAACAHicbZDLSgMxFIYz9VbrbdSFCzfBIlSEMiPelkU3LivaC7TDkMlk2tBMMiQZoQzd+CpuXCji1sdw59uYtiNo6w+Bj/+cw8n5g4RRpR3nyyosLC4trxRXS2vrG5tb9vZOU4lUYtLAggnZDpAijHLS0FQz0k4kQXHASCsYXI/rrQciFRX8Xg8T4sWox2lEMdLG8u29O59XuiRRlAl+HP7QkW+XnaozEZwHN4cyyFX37c9uKHAaE64xQ0p1XCfRXoakppiRUambKpIgPEA90jHIUUyUl00OGMFD44QwEtI8ruHE/T2RoVipYRyYzhjpvpqtjc3/ap1UR5deRnmSasLxdFGUMqgFHKcBQyoJ1mxoAGFJzV8h7iOJsDaZlUwI7uzJ89A8qbrn1bPb03LtKo+jCPbBAagAF1yAGrgBddAAGIzAE3gBr9aj9Wy9We/T1oKVz+yCP7I+vgFd0pZH</latexit>
k n
~
S n (✏ + d✏)
k(~k)
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Como o gradiente é um vetor perpendicular às


Estados com energias entre ϵ e ϵ + dϵ
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super ícies de energia constante e o seu valor dá a ✏ + d✏ = ✏ + r~k ✏n (~k) k(~k)


taxa de variação da energia nessa direção…
f
a
a
Partícula num potencial periódico
M ss efetiv
~ dE
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d✏n (k)
= h n,k |P̂x | n,k i P = = F~ext · ~v
dk m dt
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1 d✏n (k) d✏n (~k) ~ ~k


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hvx n,k i = dE d
~ dk = = r~k ✏n (~k) ·
dt dt dt
1
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F~ext · ~v = F~ext · r~ ~ ✏n (~k)


~ k
d~k
<latexit sha1_base64="8DvFiefMRtOFKnUxzrDCeyfEPIc=">AAACFHicbVDJSgNBEO2JW4xb1KOXxiAIQpgRt4sgCuIxglkgE0JPT03SpGehu0YMw3yEF3/FiwdFvHrw5t/YWQ5uDwoe71VRVc9LpNBo259WYWZ2bn6huFhaWl5ZXSuvbzR0nCoOdR7LWLU8pkGKCOooUEIrUcBCT0LTG1yM/OYtKC3i6AaHCXRC1otEIDhDI3XLe+4tcHrZdUOGfRVmcIf5qdv3mHIDxXjmj/1BnvmYd8sVu2qPQf8SZ0oqZIpat/zh+jFPQ4iQS6Z127ET7GRMoeAS8pKbakgYH7AetA2NWAi6k42fyumOUXwaxMpUhHSsfp/IWKj1MPRM5+h2/dsbif957RSDk04moiRFiPhkUZBKijEdJUR9oYCjHBrCuBLmVsr7zISBJseSCcH5/fJf0tivOkfVw+uDytn5NI4i2SLbZJc45JickStSI3XCyT15JM/kxXqwnqxX623SWrCmM5vkB6z3L/knn28=</latexit>

D E F~ext =~
~ dt
<latexit sha1_base64="WSyZu1A5xn7iDZEGRZSv62mmEdQ=">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</latexit>

~ ~ ˆ
~
r~k ✏n (k) = n~k P n~
k
m
1~ Massa efetiva
<latexit sha1_base64="gKYv8+4ux1Wr6uB9JT956w2vInE=">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</latexit>

h~vn~k i = r~k ✏n (~k)


~ 1 @ 2 ✏n (~k)
<latexit sha1_base64="Y0rX6VT+AxFb6f/ZTunCAA4Kj3A=">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</latexit>

1
= 2

mij ~ @ki @kj
<latexit sha1_base64="4qWmdvhTPFTWGwIrir8uGGtYbIo=">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</latexit>

!
1 @ ✏n (~k) X ~ X @ ✏n (~k)
<latexit sha1_base64="V4/eUN4mZblSyxJcU5lt1AlU6V4=">AAACS3icbZDNS8MwGMbT+T2/ph69BIegl9GKXxdh6MWjgtuEdZY0fbtlS9OSpINR+v958eLNf8KLB0U8mG5D/Hoh8ON58vAmj59wprRtP1mlmdm5+YXFpfLyyuraemVjs6niVFJo0JjH8tYnCjgT0NBMc7hNJJDI59DyBxeF3xqCVCwWN3qUQCciXcFCRok2klfxz9xQEpo5eeb2fCJzV6WR15+IbkKkZoTfHbiQKMZNQOy5Q6B4sJ9/uXjgsW/czyfhoMAs0LlXqdo1ezz4LzhTqKLpXHmVRzeIaRqB0JQTpdqOnehOVmygHPKymypICB2QLrQNChKB6mTjLnK8a5QAh7E0R2g8Vr8nMhIpNYp8czMiuqd+e4X4n9dOdXjayZhIUg2CThaFKcc6xkWxOGASqOYjA4RKZt6KaY+YJrSpv2xKcH5/+S80D2rOce3o+rBaP5/WsYi20Q7aQw46QXV0ia5QA1F0j57RK3qzHqwX6936mFwtWdPMFvoxpblPygW2Pg==</latexit> <latexit sha1_base64="LmKCnc/tyqyjW4ViIL82tioxzFA=">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</latexit>

2 2
dvi d 1 @ ✏n (k) dkj 1
ai = = = = 2 Fext,j
dt dt ~ @ki ~ j @ki @kj dt ~ j @ki @kj
a
a
a
Partícula num potencial periódico
C mpo m gnético uniforme

d~k
<latexit sha1_base64="nvobrUcRNyc3vdNk2AG9ftYVDX0=">AAACHnicbVDLSsNAFJ34tr6iLt0MFkE3JRGrbgSpG5cVbCs0oUwmEzt0MokzN4US+iVu/BU3LhQRXOnfOE2z8HVg4Nxz7uXOPUEquAbH+bRmZufmFxaXlisrq2vrG/bmVlsnmaKsRRORqJuAaCa4ZC3gINhNqhiJA8E6weBi4neGTGmeyGsYpcyPya3kEacEjNSz614/IMqLFKF56A0ZxYNxHsL47K4ohj25P1UPPOAx00XR6NlVp+YUwH+JW5IqKtHs2e9emNAsZhKoIFp3XScFPycKOBVsXPEyzVJCB+SWdQ2VxKzy8+K8Md4zSoijRJknARfq94mcxFqP4sB0xgT6+rc3Ef/zuhlEp37OZZoBk3S6KMoEhgRPssIhV4yCGBlCqOLmr5j2iYkKTKIVE4L7++S/pH1Yc49r9auj6nmjjGMJ7aBdtI9cdILO0SVqohai6B49omf0Yj1YT9ar9TZtnbHKmW30A9bHF2pPoqQ=</latexit>

~ = q~vn (~k) ⇥ B~
dt
kz
<latexit sha1_base64="bobb7kLHQM3OxL4wrV1Q9tkX8vk=">AAAB6nicbVDLSgNBEOyNrxhfUY9eBoPgKeyKr2PQi8eI5gHJEmYns8mQ2dllpleISz7BiwdFvPpF3vwbJ8keNFrQUFR1090VJFIYdN0vp7C0vLK6VlwvbWxube+Ud/eaJk414w0Wy1i3A2q4FIo3UKDk7URzGgWSt4LR9dRvPXBtRKzucZxwP6IDJULBKFrpbtR77JUrbtWdgfwlXk4qkKPeK392+zFLI66QSWpMx3MT9DOqUTDJJ6VuanhC2YgOeMdSRSNu/Gx26oQcWaVPwljbUkhm6s+JjEbGjKPAdkYUh2bRm4r/eZ0Uw0s/EypJkSs2XxSmkmBMpn+TvtCcoRxbQpkW9lbChlRThjadkg3BW3z5L2meVL3z6tntaaV2lcdRhAM4hGPw4AJqcAN1aACDATzBC7w60nl23pz3eWvByWf24Recj29pxo3m</latexit>

~ ⇣ ⌘
<latexit sha1_base64="kS2+MZMrq14oDAao0o2kl8kur3c=">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</latexit>

F~ = q~v ⇥ B
~
<latexit sha1_base64="/tyduN0Xl5l37rz+eWlXOrnWtys=">AAACA3icbVDLSsNAFJ34rPUVdaebwSK4Kon42gilgrisYB/QhDKZ3rRDJw9nJoUSCm78FTcuFHHrT7jzb5ymWWjrgWEO59zLvfd4MWdSWda3sbC4tLyyWlgrrm9sbm2bO7sNGSWCQp1GPBItj0jgLIS6YopDKxZAAo9D0xtcT/zmEIRkUXivRjG4AemFzGeUKC11zH1nCBTfXD1k/9BRLACZ8WrHLFllKwOeJ3ZOSihHrWN+Od2IJgGEinIiZdu2YuWmRChGOYyLTiIhJnRAetDWNCR6lJtmN4zxkVa62I+EfqHCmfq7IyWBlKPA05UBUX05603E/7x2ovxLN2VhnCgI6XSQn3CsIjwJBHeZAKr4SBNCBdO7YtonglClYyvqEOzZk+dJ46Rsn5fP7k5LlWoeRwEdoEN0jGx0gSroFtVQHVH0iJ7RK3oznowX4934mJYuGHnPHvoD4/MH6JuXEQ==</latexit>

~
<latexit sha1_base64="vWDo1KwuSGsEWyV3atn46yVSarE=">AAAB7XicbVDLTgJBEOzFF+IL9ehlIjHxRHaNryPBi0dM5JHAhswOvTAyu7OZmSUhhH/w4kFjvPo/3vwbB9iDgpV0UqnqTndXkAiujet+O7m19Y3Nrfx2YWd3b/+geHjU0DJVDOtMCqlaAdUoeIx1w43AVqKQRoHAZjC8m/nNESrNZfxoxgn6Ee3HPOSMGis1OiNkpNotltyyOwdZJV5GSpCh1i1+dXqSpRHGhgmqddtzE+NPqDKcCZwWOqnGhLIh7WPb0phGqP3J/NopObNKj4RS2YoNmau/JyY00nocBbYzomagl72Z+J/XTk146094nKQGY7ZYFKaCGElmr5MeV8iMGFtCmeL2VsIGVFFmbEAFG4K3/PIqaVyUvevy1cNlqVLN4sjDCZzCOXhwAxW4hxrUgcETPMMrvDnSeXHenY9Fa87JZo7hD5zPH/P3jrw=</latexit>

B dk
B̂ ⇥ ~ = q B̂ ⇥ ~vn (~k) ⇥ B
~
dt
d~k
<latexit sha1_base64="NcxHBbRw7NMIjbKNMzDMOvhAz0g=">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</latexit>

1~ ~ ⇣ ⌘
<latexit sha1_base64="6bgFuqmSwQXhJfnhH1ECxQO4xUA=">AAACYnicbVFBT9swFHbC2KDboMARDtaqSe1hVYI24IKEyoUjSCsg1VXlOC+NVcfJ7JdKVdQ/yY3TLvshuGkOjPIky5++73t6fp+jQkmLQfDs+Vsftj9+2tltff7ydW+/fXB4b/PSCBiKXOXmMeIWlNQwRIkKHgsDPIsUPESz65X+MAdjZa5/46KAccanWiZScHTUpL1gKUc6YCgzsCyNuGGJ4aKK2RwEnS2rGJeXf5iCBLvdxiviHGt50Kuv+UR31/bejw3PK3HtHjAjpyn2Ju1O0A/qopsgbECHNHU7aT+xOBdlBhqF4taOwqDAccUNSqFg2WKlhYKLGZ/CyEHN3Ubjqo5oSb87JqZJbtzRSGv2dUfFM2sXWeScGcfUvtVW5HvaqMTkYlxJXZQIWqwHJaWimNNV3jSWBgSqhQNcGOneSkXKXcTofqXlQgjfrrwJ7k/74Vn/193PztWgiWOHHJNvpEtCck6uyA25JUMiyF9v29vz9r1/fss/8I/WVt9reo7If+WfvAC8D7Vg</latexit>

~ = q r~k ✏n (~k) ⇥ B
~ dk ~ vn (~k) (B̂ · ~vn (~k))B~
dt ~ B̂ ⇥ ~ = q (B̂ · B)~
~ ~ ✏n (~k) dt
<latexit sha1_base64="ReLrRzGkyOMdL6sH3lZpAkf0n2A=">AAACD3icdZDLSgMxFIYzXmu9jbp0EyxK3ZSZ2mq7K7pxWcFeoFNKJj1tQzOZIckUytA3cOOruHGhiFu37nwb04ugogcCf77/HJLz+xFnSjvOh7W0vLK6tp7aSG9ube/s2nv7dRXGkkKNhjyUTZ8o4ExATTPNoRlJIIHPoeEPr6Z+YwRSsVDc6nEE7YD0BesxSrRBHfvEGwHFniA+J51kdhlOPIgU48YW2Tk57dgZJ1cqlJ2zInZyzqyMyLtFp1jG7oJk0KKqHfvd64Y0DkBoyolSLdeJdDshUjPKYZL2YgURoUPSh5aRggSg2slsnwk+NqSLe6E0R2g8o98nEhIoNQ580xkQPVC/vSn8y2vFuldqJ0xEsQZB5w/1Yo51iKfh4C6TQDUfG0GoZOavmA6IJFSbCNMmhK9N8f+ins+557niTSFTuVzEkUKH6AhlkYsuUAVdoyqqIYru0AN6Qs/WvfVovViv89YlazFzgH6U9fYJ1cCcjQ==</latexit>

r k
~ ⇣ ⌘
<latexit sha1_base64="sZ/WYoEGrDROFzW7kZtrgRBInt8=">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</latexit>

ky dk
<latexit sha1_base64="blFS9+NkzmHN4+DDKVVmvvgQlLo=">AAAB6nicbVDLSgNBEOyNrxhfUY9eBoPgKeyKr2PQi8eI5gHJEmYnvcmQ2dllZlYISz7BiwdFvPpF3vwbJ8keNLGgoajqprsrSATXxnW/ncLK6tr6RnGztLW9s7tX3j9o6jhVDBssFrFqB1Sj4BIbhhuB7UQhjQKBrWB0O/VbT6g0j+WjGSfoR3QgecgZNVZ6GPXGvXLFrbozkGXi5aQCOeq98le3H7M0QmmYoFp3PDcxfkaV4UzgpNRNNSaUjegAO5ZKGqH2s9mpE3JilT4JY2VLGjJTf09kNNJ6HAW2M6JmqBe9qfif10lNeO1nXCapQcnmi8JUEBOT6d+kzxUyI8aWUKa4vZWwIVWUGZtOyYbgLb68TJpnVe+yenF/Xqnd5HEU4QiO4RQ8uIIa3EEdGsBgAM/wCm+OcF6cd+dj3lpw8plD+APn8wdoQo3l</latexit>

B̂ ⇥ ~ = qB ~vn (~k) (B̂ · ~vn (~k))B̂


d~k ? r
~ ~ ✏n (~k)
<latexit sha1_base64="+zW61c0YtbN4LTqUgpSAQuavp5Y=">AAACGnicbVDLSgMxFM3UV62vqks3wSLUTZkRX8uiG5cV7AM6pWTS2zY0kwlJplCGfocbf8WNC0XciRv/xkw7C209EDiccy439wSSM21c99vJrayurW/kNwtb2zu7e8X9g4aOYkWhTiMeqVZANHAmoG6Y4dCSCkgYcGgGo9vUb45BaRaJBzOR0AnJQLA+o8RYqVv0ev4YKB75EpRMqS9IwEk3mctTH6Rm3CZFea6cdoslt+LOgJeJl5ESylDrFj/9XkTjEIShnGjd9lxpOglRhlEO04Ifa5CEjsgA2pYKEoLuJLPTpvjEKj3cj5R9wuCZ+nsiIaHWkzCwyZCYoV70UvE/rx2b/nUnYULGBgSdL+rHHJsIpz3hHlNADZ9YQqhi9q+YDoki1Ng2C7YEb/HkZdI4q3iXlYv781L1Jqsjj47QMSojD12hKrpDNVRHFD2iZ/SK3pwn58V5dz7m0ZyTzRyiP3C+fgCweaFE</latexit>

k dt
A trajetória é um d~k ? B
~
<latexit sha1_base64="Ye8dkKxWbMJtCmt5i6AEW9arO7U=">AAAB+3icbZDLSsNAFIYnXmu9xbp0M1gEVyURb8tSNy4r2As0oUwmp+3QySTMTIol9FXcuFDErS/izrdxmmahrT8MfPznHM6ZP0g4U9pxvq219Y3Nre3STnl3b//g0D6qtFWcSgotGvNYdgOigDMBLc00h24igUQBh04wvpvXOxOQisXiUU8T8CMyFGzAKNHG6tuV0JsAxWMvAZnk2OjbVafm5MKr4BZQRYWaffvLC2OaRiA05USpnusk2s+I1IxymJW9VEFC6JgMoWdQkAiUn+W3z/CZcUI8iKV5QuPc/T2RkUipaRSYzojokVquzc3/ar1UD279jIkk1SDoYtEg5VjHeB4EDpkEqvnUAKGSmVsxHRFJqDZxlU0I7vKXV6F9UXOva1cPl9V6o4ijhE7QKTpHLrpBdXSPmqiFKHpCz+gVvVkz68V6tz4WrWtWMXOM/sj6/AFZHZQB</latexit>

d~k
<latexit sha1_base64="xqrHO3N56f4W5p8jky8DcgLsyTs=">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</latexit>

kx B̂ ⇥ ~ = qB ~v? (~k)
<latexit sha1_base64="WIg8dREIJlS3SfiLWCmaaGI3+Zo=">AAAB6nicbVDLSgNBEOyNrxhfUY9eBoPgKeyKr2PQi8eI5gHJEmYnvcmQ2dllZlYMSz7BiwdFvPpF3vwbJ8keNFrQUFR1090VJIJr47pfTmFpeWV1rbhe2tjc2t4p7+41dZwqhg0Wi1i1A6pRcIkNw43AdqKQRoHAVjC6nvqtB1Sax/LejBP0IzqQPOSMGivdjXqPvXLFrbozkL/Ey0kFctR75c9uP2ZphNIwQbXueG5i/Iwqw5nASambakwoG9EBdiyVNELtZ7NTJ+TIKn0SxsqWNGSm/pzIaKT1OApsZ0TNUC96U/E/r5Oa8NLPuExSg5LNF4WpICYm079JnytkRowtoUxxeythQ6ooMzadkg3BW3z5L2meVL3z6tntaaV2lcdRhAM4hGPw4AJqcAN1aACDATzBC7w6wnl23pz3eWvByWf24Recj29mvo3k</latexit>

contorno de energia dt
constante Trajetória no espaço recíproco…
d~k
<latexit sha1_base64="FctL8qIagBp3TpT7QSD7LeMChRM=">AAACKXicbVDJSgNBEO1xN25Rj14ag+ApzIjbRQjx4jGCSYTMEHp6akyTnsXuGiEM8zte/BUvCop69UfsJHNwe1DweK+Kqnp+KoVG2363Zmbn5hcWl5YrK6tr6xvVza2OTjLFoc0Tmahrn2mQIoY2CpRwnSpgkS+h6w/Px373DpQWSXyFoxS8iN3EIhScoZH61YY7YEibLooItDvwmXJDxXgeuHfA6bDIAyzObpvfRdXP3RRUWkzMfrVm1+0J6F/ilKRGSrT61Wc3SHgWQYxcMq17jp2ilzOFgksoKm6mIWV8yG6gZ2jMzGFePvm0oHtGCWiYKFMx0on6fSJnkdajyDedEcOB/u2Nxf+8XobhqZeLOM0QYj5dFGaSYkLHsdFAKOAoR4YwroS5lfIBM6GgCbdiQnB+v/yXdA7qznH96PKw1miWcSyRHbJL9olDTkiDXJAWaRNO7skjeSGv1oP1ZL1ZH9PWGauc2SY/YH1+AV/+qJo=</latexit>

d~r?
Como será a trajetória B̂ ⇥ ~ = qB
dt dt
no espaço real? ⇣ ⌘
~
<latexit sha1_base64="9pDFOb9m5Gf21PY7hYCs+8RYIWk=">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</latexit>

~r? (t) ~r? (0) = B̂ ⇥ ~k(t) ~k(0)


Componente da velocidade perpendicular ao campo qB
a
a
Partícula num potencial periódico
C mpo m gnético uniforme

kz
<latexit sha1_base64="bobb7kLHQM3OxL4wrV1Q9tkX8vk=">AAAB6nicbVDLSgNBEOyNrxhfUY9eBoPgKeyKr2PQi8eI5gHJEmYns8mQ2dllpleISz7BiwdFvPpF3vwbJ8keNFrQUFR1090VJFIYdN0vp7C0vLK6VlwvbWxube+Ud/eaJk414w0Wy1i3A2q4FIo3UKDk7URzGgWSt4LR9dRvPXBtRKzucZxwP6IDJULBKFrpbtR77JUrbtWdgfwlXk4qkKPeK392+zFLI66QSWpMx3MT9DOqUTDJJ6VuanhC2YgOeMdSRSNu/Gx26oQcWaVPwljbUkhm6s+JjEbGjKPAdkYUh2bRm4r/eZ0Uw0s/EypJkSs2XxSmkmBMpn+TvtCcoRxbQpkW9lbChlRThjadkg3BW3z5L2meVL3z6tntaaV2lcdRhAM4hGPw4AJqcAN1aACDATzBC7w60nl23pz3eWvByWf24Recj29pxo3m</latexit>

z
<latexit sha1_base64="I6lx7kJ3J2ctPwbk+TFgr5/RVcU=">AAAB6HicbVDLTgJBEOzFF+IL9ehlIjHxRHaNryPRi0dI5JHAhswODYzMzm5mZk1wwxd48aAxXv0kb/6NA+xBwUo6qVR1p7sriAXXxnW/ndzK6tr6Rn6zsLW9s7tX3D9o6ChRDOssEpFqBVSj4BLrhhuBrVghDQOBzWB0O/Wbj6g0j+S9Gcfoh3QgeZ8zaqxUe+oWS27ZnYEsEy8jJchQ7Ra/Or2IJSFKwwTVuu25sfFTqgxnAieFTqIxpmxEB9i2VNIQtZ/ODp2QE6v0SD9StqQhM/X3REpDrcdhYDtDaoZ60ZuK/3ntxPSv/ZTLODEo2XxRPxHERGT6NelxhcyIsSWUKW5vJWxIFWXGZlOwIXiLLy+TxlnZuyxf1M5LlZssjjwcwTGcggdXUIE7qEIdGCA8wyu8OQ/Oi/PufMxbc042cwh/4Hz+AOyBjQg=</latexit>

~
<latexit sha1_base64="vWDo1KwuSGsEWyV3atn46yVSarE=">AAAB7XicbVDLTgJBEOzFF+IL9ehlIjHxRHaNryPBi0dM5JHAhswOvTAyu7OZmSUhhH/w4kFjvPo/3vwbB9iDgpV0UqnqTndXkAiujet+O7m19Y3Nrfx2YWd3b/+geHjU0DJVDOtMCqlaAdUoeIx1w43AVqKQRoHAZjC8m/nNESrNZfxoxgn6Ee3HPOSMGis1OiNkpNotltyyOwdZJV5GSpCh1i1+dXqSpRHGhgmqddtzE+NPqDKcCZwWOqnGhLIh7WPb0phGqP3J/NopObNKj4RS2YoNmau/JyY00nocBbYzomagl72Z+J/XTk146094nKQGY7ZYFKaCGElmr5MeV8iMGFtCmeL2VsIGVFFmbEAFG4K3/PIqaVyUvevy1cNlqVLN4sjDCZzCOXhwAxW4hxrUgcETPMMrvDnSeXHenY9Fa87JZo7hD5zPH/P3jrw=</latexit>

B ~
<latexit sha1_base64="vWDo1KwuSGsEWyV3atn46yVSarE=">AAAB7XicbVDLTgJBEOzFF+IL9ehlIjHxRHaNryPBi0dM5JHAhswOvTAyu7OZmSUhhH/w4kFjvPo/3vwbB9iDgpV0UqnqTndXkAiujet+O7m19Y3Nrfx2YWd3b/+geHjU0DJVDOtMCqlaAdUoeIx1w43AVqKQRoHAZjC8m/nNESrNZfxoxgn6Ee3HPOSMGis1OiNkpNotltyyOwdZJV5GSpCh1i1+dXqSpRHGhgmqddtzE+NPqDKcCZwWOqnGhLIh7WPb0phGqP3J/NopObNKj4RS2YoNmau/JyY00nocBbYzomagl72Z+J/XTk146094nKQGY7ZYFKaCGElmr5MeV8iMGFtCmeL2VsIGVFFmbEAFG4K3/PIqaVyUvevy1cNlqVLN4sjDCZzCOXhwAxW4hxrUgcETPMMrvDnSeXHenY9Fa87JZo7hD5zPH/P3jrw=</latexit>

<latexit sha1_base64="9pDFOb9m5Gf21PY7hYCs+8RYIWk=">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</latexit>

~ ⇣ ⌘
~ ~ ✏n (~k)
<latexit sha1_base64="ReLrRzGkyOMdL6sH3lZpAkf0n2A=">AAACD3icdZDLSgMxFIYzXmu9jbp0EyxK3ZSZ2mq7K7pxWcFeoFNKJj1tQzOZIckUytA3cOOruHGhiFu37nwb04ugogcCf77/HJLz+xFnSjvOh7W0vLK6tp7aSG9ube/s2nv7dRXGkkKNhjyUTZ8o4ExATTPNoRlJIIHPoeEPr6Z+YwRSsVDc6nEE7YD0BesxSrRBHfvEGwHFniA+J51kdhlOPIgU48YW2Tk57dgZJ1cqlJ2zInZyzqyMyLtFp1jG7oJk0KKqHfvd64Y0DkBoyolSLdeJdDshUjPKYZL2YgURoUPSh5aRggSg2slsnwk+NqSLe6E0R2g8o98nEhIoNQ580xkQPVC/vSn8y2vFuldqJ0xEsQZB5w/1Yo51iKfh4C6TQDUfG0GoZOavmA6IJFSbCNMmhK9N8f+ins+557niTSFTuVzEkUKH6AhlkYsuUAVdoyqqIYru0AN6Qs/WvfVovViv89YlazFzgH6U9fYJ1cCcjQ==</latexit>

r k ~r? (t) ~r? (0) = B̂ ⇥ ~k(t) ~k(0)


ky
<latexit sha1_base64="blFS9+NkzmHN4+DDKVVmvvgQlLo=">AAAB6nicbVDLSgNBEOyNrxhfUY9eBoPgKeyKr2PQi8eI5gHJEmYnvcmQ2dllZlYISz7BiwdFvPpF3vwbJ8keNLGgoajqprsrSATXxnW/ncLK6tr6RnGztLW9s7tX3j9o6jhVDBssFrFqB1Sj4BIbhhuB7UQhjQKBrWB0O/VbT6g0j+WjGSfoR3QgecgZNVZ6GPXGvXLFrbozkGXi5aQCOeq98le3H7M0QmmYoFp3PDcxfkaV4UzgpNRNNSaUjegAO5ZKGqH2s9mpE3JilT4JY2VLGjJTf09kNNJ6HAW2M6JmqBe9qfif10lNeO1nXCapQcnmi8JUEBOT6d+kzxUyI8aWUKa4vZWwIVWUGZtOyYbgLb68TJpnVe+yenF/Xqnd5HEU4QiO4RQ8uIIa3EEdGsBgAM/wCm+OcF6cd+dj3lpw8plD+APn8wdoQo3l</latexit>

qB y
<latexit sha1_base64="tmEvmksfb9cWDAa5xB1ckWUhUbQ=">AAAB6HicbVDLSgNBEOz1GeMr6tHLYBA8hV3xdQx68ZiAeUCyhNlJbzJmdnaZmRXCki/w4kERr36SN//GSbIHTSxoKKq66e4KEsG1cd1vZ2V1bX1js7BV3N7Z3dsvHRw2dZwqhg0Wi1i1A6pRcIkNw43AdqKQRoHAVjC6m/qtJ1Sax/LBjBP0IzqQPOSMGivVx71S2a24M5Bl4uWkDDlqvdJXtx+zNEJpmKBadzw3MX5GleFM4KTYTTUmlI3oADuWShqh9rPZoRNyapU+CWNlSxoyU39PZDTSehwFtjOiZqgXvan4n9dJTXjjZ1wmqUHJ5ovCVBATk+nXpM8VMiPGllCmuL2VsCFVlBmbTdGG4C2+vEya5xXvqnJZvyhXb/M4CnAMJ3AGHlxDFe6hBg1ggPAMr/DmPDovzrvzMW9dcfKZI/gD5/MH6v2NBw==</latexit>

~vk é constante no tempo


<latexit sha1_base64="q0rCSnzIN8MzRC+k102R1Pqg6po=">AAAB+3icbVDLSsNAFJ3UV62vWpduBovgqiTia1l047KCfUATwmR60w6dTMLMpFhCfsWNC0Xc+iPu/BunbRbaeuDC4Zx7ufeeIOFMadv+tkpr6xubW+Xtys7u3v5B9bDWUXEqKbRpzGPZC4gCzgS0NdMceokEEgUcusH4buZ3JyAVi8WjnibgRWQoWMgo0UbyqzV3AhRP/MxNiCScA8/9at1u2HPgVeIUpI4KtPzqlzuIaRqB0JQTpfqOnWgvI1IzyiGvuKmChNAxGULfUEEiUF42vz3Hp0YZ4DCWpoTGc/X3REYipaZRYDojokdq2ZuJ/3n9VIc3XsZEkmoQdLEoTDnWMZ4FgQdMAtV8agihkplbMR2ZDKg2cVVMCM7yy6ukc95wrhqXDxf15m0RRxkdoxN0hhx0jZroHrVQG1H0hJ7RK3qzcuvFerc+Fq0lq5g5Qn9gff4AQGuUmQ==</latexit>

kx
<latexit sha1_base64="WIg8dREIJlS3SfiLWCmaaGI3+Zo=">AAAB6nicbVDLSgNBEOyNrxhfUY9eBoPgKeyKr2PQi8eI5gHJEmYnvcmQ2dllZlYMSz7BiwdFvPpF3vwbJ8keNFrQUFR1090VJIJr47pfTmFpeWV1rbhe2tjc2t4p7+41dZwqhg0Wi1i1A6pRcIkNw43AdqKQRoHAVjC6nvqtB1Sax/LejBP0IzqQPOSMGivdjXqPvXLFrbozkL/Ey0kFctR75c9uP2ZphNIwQbXueG5i/Iwqw5nASambakwoG9EBdiyVNELtZ7NTJ+TIKn0SxsqWNGSm/pzIaKT1OApsZ0TNUC96U/E/r5Oa8NLPuExSg5LNF4WpICYm079JnytkRowtoUxxeythQ6ooMzadkg3BW3z5L2meVL3z6tntaaV2lcdRhAM4hGPw4AJqcAN1aACDATzBC7w6wnl23pz3eWvByWf24Recj29mvo3k</latexit>

x
<latexit sha1_base64="ZwKkaJcdU3hHlnhMyVD4tdz55QM=">AAAB6HicbVDLTgJBEOzFF+IL9ehlIjHxRHaNryPRi0dI5JHAhswODYzMzm5mZo1kwxd48aAxXv0kb/6NA+xBwUo6qVR1p7sriAXXxnW/ndzK6tr6Rn6zsLW9s7tX3D9o6ChRDOssEpFqBVSj4BLrhhuBrVghDQOBzWB0O/Wbj6g0j+S9Gcfoh3QgeZ8zaqxUe+oWS27ZnYEsEy8jJchQ7Ra/Or2IJSFKwwTVuu25sfFTqgxnAieFTqIxpmxEB9i2VNIQtZ/ODp2QE6v0SD9StqQhM/X3REpDrcdhYDtDaoZ60ZuK/3ntxPSv/ZTLODEo2XxRPxHERGT6NelxhcyIsSWUKW5vJWxIFWXGZlOwIXiLLy+TxlnZuyxf1M5LlZssjjwcwTGcggdXUIE7qEIdGCA8wyu8OQ/Oi/PufMxbc042cwh/4Hz+AOl5jQY=</latexit>

Trajetória no espaço recíproco Trajetória no espaço real

Assumimos uma forma muito particular para a órbita no espaço recíproco…


a
a
Partícula num potencial periódico
C mpo m gnético uniforme

~
<latexit sha1_base64="vWDo1KwuSGsEWyV3atn46yVSarE=">AAAB7XicbVDLTgJBEOzFF+IL9ehlIjHxRHaNryPBi0dM5JHAhswOvTAyu7OZmSUhhH/w4kFjvPo/3vwbB9iDgpV0UqnqTndXkAiujet+O7m19Y3Nrfx2YWd3b/+geHjU0DJVDOtMCqlaAdUoeIx1w43AVqKQRoHAZjC8m/nNESrNZfxoxgn6Ee3HPOSMGis1OiNkpNotltyyOwdZJV5GSpCh1i1+dXqSpRHGhgmqddtzE+NPqDKcCZwWOqnGhLIh7WPb0phGqP3J/NopObNKj4RS2YoNmau/JyY00nocBbYzomagl72Z+J/XTk146094nKQGY7ZYFKaCGElmr5MeV8iMGFtCmeL2VsIGVFFmbEAFG4K3/PIqaVyUvevy1cNlqVLN4sjDCZzCOXhwAxW4hxrUgcETPMMrvDnSeXHenY9Fa87JZo7hD5zPH/P3jrw=</latexit>

~ kz B
<latexit sha1_base64="bobb7kLHQM3OxL4wrV1Q9tkX8vk=">AAAB6nicbVDLSgNBEOyNrxhfUY9eBoPgKeyKr2PQi8eI5gHJEmYns8mQ2dllpleISz7BiwdFvPpF3vwbJ8keNFrQUFR1090VJFIYdN0vp7C0vLK6VlwvbWxube+Ud/eaJk414w0Wy1i3A2q4FIo3UKDk7URzGgWSt4LR9dRvPXBtRKzucZxwP6IDJULBKFrpbtR77JUrbtWdgfwlXk4qkKPeK392+zFLI66QSWpMx3MT9DOqUTDJJ6VuanhC2YgOeMdSRSNu/Gx26oQcWaVPwljbUkhm6s+JjEbGjKPAdkYUh2bRm4r/eZ0Uw0s/EypJkSs2XxSmkmBMpn+TvtCcoRxbQpkW9lbChlRThjadkg3BW3z5L2meVL3z6tntaaV2lcdRhAM4hGPw4AJqcAN1aACDATzBC7w60nl23pz3eWvByWf24Recj29pxo3m</latexit>

<latexit sha1_base64="vWDo1KwuSGsEWyV3atn46yVSarE=">AAAB7XicbVDLTgJBEOzFF+IL9ehlIjHxRHaNryPBi0dM5JHAhswOvTAyu7OZmSUhhH/w4kFjvPo/3vwbB9iDgpV0UqnqTndXkAiujet+O7m19Y3Nrfx2YWd3b/+geHjU0DJVDOtMCqlaAdUoeIx1w43AVqKQRoHAZjC8m/nNESrNZfxoxgn6Ee3HPOSMGis1OiNkpNotltyyOwdZJV5GSpCh1i1+dXqSpRHGhgmqddtzE+NPqDKcCZwWOqnGhLIh7WPb0phGqP3J/NopObNKj4RS2YoNmau/JyY00nocBbYzomagl72Z+J/XTk146094nKQGY7ZYFKaCGElmr5MeV8iMGFtCmeL2VsIGVFFmbEAFG4K3/PIqaVyUvevy1cNlqVLN4sjDCZzCOXhwAxW4hxrUgcETPMMrvDnSeXHenY9Fa87JZo7hD5zPH/P3jrw=</latexit>

B
ky
<latexit sha1_base64="blFS9+NkzmHN4+DDKVVmvvgQlLo=">AAAB6nicbVDLSgNBEOyNrxhfUY9eBoPgKeyKr2PQi8eI5gHJEmYnvcmQ2dllZlYISz7BiwdFvPpF3vwbJ8keNLGgoajqprsrSATXxnW/ncLK6tr6RnGztLW9s7tX3j9o6jhVDBssFrFqB1Sj4BIbhhuB7UQhjQKBrWB0O/VbT6g0j+WjGSfoR3QgecgZNVZ6GPXGvXLFrbozkGXi5aQCOeq98le3H7M0QmmYoFp3PDcxfkaV4UzgpNRNNSaUjegAO5ZKGqH2s9mpE3JilT4JY2VLGjJTf09kNNJ6HAW2M6JmqBe9qfif10lNeO1nXCapQcnmi8JUEBOT6d+kzxUyI8aWUKa4vZWwIVWUGZtOyYbgLb68TJpnVe+yenF/Xqnd5HEU4QiO4RQ8uIIa3EEdGsBgAM/wCm+OcF6cd+dj3lpw8plD+APn8wdoQo3l</latexit>

kx
<latexit sha1_base64="WIg8dREIJlS3SfiLWCmaaGI3+Zo=">AAAB6nicbVDLSgNBEOyNrxhfUY9eBoPgKeyKr2PQi8eI5gHJEmYnvcmQ2dllZlYMSz7BiwdFvPpF3vwbJ8keNFrQUFR1090VJIJr47pfTmFpeWV1rbhe2tjc2t4p7+41dZwqhg0Wi1i1A6pRcIkNw43AdqKQRoHAVjC6nvqtB1Sax/LejBP0IzqQPOSMGivdjXqPvXLFrbozkL/Ey0kFctR75c9uP2ZphNIwQbXueG5i/Iwqw5nASambakwoG9EBdiyVNELtZ7NTJ+TIKn0SxsqWNGSm/pzIaKT1OApsZ0TNUC96U/E/r5Oa8NLPuExSg5LNF4WpICYm079JnytkRowtoUxxeythQ6ooMzadkg3BW3z5L2meVL3z6tntaaV2lcdRhAM4hGPw4AJqcAN1aACDATzBC7w6wnl23pz3eWvByWf24Recj29mvo3k</latexit>

Um exemplo de uma órbita aberta


Um exemplo de uma órbita fechada não circular se o campo for aplicado na direção [1̄01]
(na representação repetida…)
a
a
Difração de raios-X

Max von Laue William Henry Bragg William Lawrence Bragg

Prémio Nobel da Física em 1914 Prémio Nobel da Física em 1915


Difração de raios-X
Regr de ouro de Fermi

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Z t D E 2
1 i 0
0 0 Taxa de transição (probabilidade de
Pif (t) = 2 e ~ (Ef Ei )t
V̂ (t ) dt
~ 0
f i
transição por unidade de tempo e por
unidade de βf) entre o estado inicial e um
Probabilidade de transição entre dois estados
conjunto de estados inais | βf , Ef ⟩
(inicial e inal) em primeira ordem de teoria de
perturbações dependente do tempo

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d 2⇡ D E 2
if = Pif (t) = f, Ef = Ei V̂ i ⇢( f , Ef = Ei )
f dt ~
Regra de ouro de Fermi
a
f
f
Difração de raios-X
Regr de ouro de Fermi

<latexit sha1_base64="ZXw2q+jGmB0c7quUyDJFoVqow+o=">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</latexit>

d 2⇡ D E 2
if = Pif (t) = f, Ef = Ei V̂ i ⇢( f , Ef = Ei )
f dt ~

a
D E

id
2⇡ ~ 0 2
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~0

nd
<latexit sha1_base64="PG0bL43uUW4e/10U2KoCum/Okqk=">AAAB7nicbVDLSgNBEOz1GeMr6tHLYBA9hV3xdQx68RjBPCBZwuykNxkyO7vMzAbCko/w4kERr36PN//GSbIHTSxoKKq66e4KEsG1cd1vZ2V1bX1js7BV3N7Z3dsvHRw2dJwqhnUWi1i1AqpRcIl1w43AVqKQRoHAZjC8n/rNESrNY/lkxgn6Ee1LHnJGjZWanREyMjzrlspuxZ2BLBMvJ2XIUeuWvjq9mKURSsME1brtuYnxM6oMZwInxU6qMaFsSPvYtlTSCLWfzc6dkFOr9EgYK1vSkJn6eyKjkdbjKLCdETUDvehNxf+8dmrCWz/jMkkNSjZfFKaCmJhMfyc9rpAZMbaEMsXtrYQNqKLM2ISKNgRv8eVl0rioeNeVq8fLcvUuj6MAx3AC5+DBDVThAWpQBwZDeIZXeHMS58V5dz7mrStOPnMEf+B8/gCUWY8W</latexit>

k ~ ~ 0
(k ! k ) = k V̂ ~k E~k0 E~k

fu
~
di
ão

di
Ra

~k
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~k
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D E Z
Radiação incidente Radiação não-difundida 1 1
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~k V̂ ~k = d~r p e
0 i~k 0
·~
r i~
V (~r) p e k·~r
V V
Z
1
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i(~
k0 ~ k)·~
r
= d~r e V (~r)
V
a
Difração de raios-X
Condiç o de L ue

D E Z
1
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~k V̂ ~k =
0 i(~k 0 ~
k)·~
r
d~r e V (~r)
V
X Z
1
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= d~x e i(~
k0 ~
k)·(~ ~
x+R) ~
V (~x + R) O sistema é periódico…
V célula unitária ~
R

2 3
Z
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1 4 X ~0 ~ ~0 ~ ~ = V (~x)
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~
= e i(k k)·R 5 d~x e i(k k)·~
x
V (~x) V (~x + R)
V célula unitária
~
R

Este
termo é nulo exceto se Condição de Laue Não esquecer que | k′⃗ | = | k ⃗ |
~k 0 ~k = G
~
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devido à conservação de
onde G ⃗ é um vetor da k′⃗ − k⃗ = G ⃗ energia na regra de ouro…
rede recíproca


ã
a
Difração de raios-X
Lei de Br gg

Re exão especular da radiação nos planos atómicos

Os raios re etidos interferem construtivamente se


n = 2d sin ✓
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<latexit sha1_base64="RnyzIg4Iy64zhhoBANN9EcBOI5Y=">AAAB7XicbVDLSgNBEJyNrxhfUY9eBoPgKeyKr2PQi8cI5gHJEmYnvcmY2Z1lplcIS/7BiwdFvPo/3vwbJ8keNLGgoajqprsrSKQw6LrfTmFldW19o7hZ2tre2d0r7x80jUo1hwZXUul2wAxIEUMDBUpoJxpYFEhoBaPbqd96Am2Eih9wnIAfsUEsQsEZWqnZxSEg65UrbtWdgS4TLycVkqPeK391+4qnEcTIJTOm47kJ+hnTKLiESambGkgYH7EBdCyNWQTGz2bXTuiJVfo0VNpWjHSm/p7IWGTMOApsZ8RwaBa9qfif10kxvPYzEScpQszni8JUUlR0+jrtCw0c5dgSxrWwt1I+ZJpxtAGVbAje4svLpHlW9S6rF/fnldpNHkeRHJFjcko8ckVq5I7USYNw8kieySt5c5Tz4rw7H/PWgpPPHJI/cD5/AKc3jzI=</latexit>

✓ Lei de Bragg
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d
<latexit sha1_base64="pbrTBi+I5TdMb2KRSYVNYXSeyj4=">AAAB6HicbVDLSgNBEOz1GeMr6tHLYBA8hV3xdQx68ZiAeUCyhNnZ3mTM7OwyMyuEkC/w4kERr36SN//GSbIHTSxoKKq66e4KUsG1cd1vZ2V1bX1js7BV3N7Z3dsvHRw2dZIphg2WiES1A6pRcIkNw43AdqqQxoHAVjC8m/qtJ1SaJ/LBjFL0Y9qXPOKMGivVw16p7FbcGcgy8XJShhy1XumrGyYsi1EaJqjWHc9NjT+mynAmcFLsZhpTyoa0jx1LJY1R++PZoRNyapWQRImyJQ2Zqb8nxjTWehQHtjOmZqAXvan4n9fJTHTjj7lMM4OSzRdFmSAmIdOvScgVMiNGllCmuL2VsAFVlBmbTdGG4C2+vEya5xXvqnJZvyhXb/M4CnAMJ3AGHlxDFe6hBg1ggPAMr/DmPDovzrvzMW9dcfKZI/gD5/MHyymM8g==</latexit>

✓ d sin ✓
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n = 2d sin ✓
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Caminho
“extra” percorrido pelo
segundo raio
fl
fl
a
plane
see Eqn. of atoms in a crystal. The excess
13.8).
ve distance traveled by the wave striking

Difração de raios-X
the lower plane is 2d sin θ.
= sin θ = −k̂′ · Ĝ
d
indicate unit vectors.
Equiv′ lênci entre s formul ções de L ue e de Br gg
on is satisfied. That is, k − k = G with
he wavelength. We can rewrite the Laue Fig. 14.3 Scattering off of the (21̄0)
plane of atoms.

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π ~k · n̂ = ~k 0 · n̂
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(k̂ − k̂′ ) = G. k sin ✓ = Condição de Laue


~k 0
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λ
~k 0 ~k = G
~
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with Ĝ to~give ~ = Gn̂


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G
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G <latexit sha1_base64="0buPMUcANiRdUmZ4/Av8LOs6u9o=">AAAB/nicbVDLSsNAFL2pr1pfUXHlZrAIrkpSfG2EohuXFWwrNKFMppN26GQSZiZCCQF/xY0LRdz6He78G6dtFtp6YOBwzj3cOydIOFPacb6t0tLyyupaeb2ysbm1vWPv7rVVnEpCWyTmsXwIsKKcCdrSTHP6kEiKo4DTTjC6mfidRyoVi8W9HifUj/BAsJARrI3Usw+uvFBiktW9hOWZx02yj/OeXXVqzhRokbgFqUKBZs/+8voxSSMqNOFYqa7rJNrPsNSMcJpXvFTRBJMRHtCuoQJHVPnZ9PwcHRulj8JYmic0mqq/ExmOlBpHgZmMsB6qeW8i/ud1Ux1e+hkTSaqpILNFYcqRjtGkC9RnkhLNx4ZgIpm5FZEhNnVo01jFlODOf3mRtOs197x2dndabVwXdZThEI7gBFy4gAbcQhNaQCCDZ3iFN+vJerHerY/ZaMkqMvvwB9bnD27KldA=</latexit>

2⇡
~ ~
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0
(~k 0 ~k) · n̂ = G
~ · n̂
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π k = |k| = |k | =
(k̂ − k̂′ ) = Ĝ · G
2k sin ✓ = G
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− sin θ ) = |G|
Re exão especular 2⇡
<latexit sha1_base64="DbIW6pDgjxqX6Z7iCxaiBTT1YjY=">AAACCnicbVDLSsNAFJ3UV62vqEs30SK4KknxtRGKLnRZwbZCE8pkMmmHTiZh5kYoIWs3/oobF4q49Qvc+TdO2yy09cDA4Zx7uHOPn3CmwLa/jdLC4tLySnm1sra+sbllbu+0VZxKQlsk5rG897GinAnaAgac3ieS4sjntOMPr8Z+54FKxWJxB6OEehHuCxYygkFLPXO/7oYSk6zuJizPXK6TAc5dxYQLAwr44rpnVu2aPYE1T5yCVFGBZs/8coOYpBEVQDhWquvYCXgZlsAIp3nFTRVNMBniPu1qKnBElZdNTsmtQ60EVhhL/QRYE/V3IsORUqPI15MRhoGa9cbif143hfDcy5hIUqCCTBeFKbcgtsa9WAGTlAAfaYKJZPqvFhlgXQ3o9iq6BGf25HnSrtec09rJ7XG1cVnUUUZ76AAdIQedoQa6QU3UQgQ9omf0it6MJ+PFeDc+pqMlo8jsoj8wPn8Alm+a2Q==</latexit>


<latexit sha1_base64="RnyzIg4Iy64zhhoBANN9EcBOI5Y=">AAAB7XicbVDLSgNBEJyNrxhfUY9eBoPgKeyKr2PQi8cI5gHJEmYnvcmY2Z1lplcIS/7BiwdFvPo/3vwbJ8keNLGgoajqprsrSKQw6LrfTmFldW19o7hZ2tre2d0r7x80jUo1hwZXUul2wAxIEUMDBUpoJxpYFEhoBaPbqd96Am2Eih9wnIAfsUEsQsEZWqnZxSEg65UrbtWdgS4TLycVkqPeK391+4qnEcTIJTOm47kJ+hnTKLiESambGkgYH7EBdCyNWQTGz2bXTuiJVfo0VNpWjHSm/p7IWGTMOApsZ8RwaBa9qfif10kxvPYzEScpQszni8JUUlR0+jrtCw0c5dgSxrWwt1I+ZJpxtAGVbAje4svLpHlW9S6rF/fnldpNHkeRHJFjcko8ckVq5I7USYNw8kieySt5c5Tz4rw7H/PWgpPPHJI/cD5/AKc3jzI=</latexit>

π G 2 sin ✓ = G
(2 sin θ) ~= <latexit sha1_base64="XE0rDJtN2ctjqR92V20rvooIPJc=">AAAB7XicbVDLSgNBEOz1GeMr6tHLYBA8hV3xdQx68RjBPCBZwuykNxkzu7PMzAbCkn/w4kERr/6PN//GSbIHTSxoKKq66e4KEsG1cd1vZ2V1bX1js7BV3N7Z3dsvHRw2tEwVwzqTQqpWQDUKHmPdcCOwlSikUSCwGQzvpn5zhEpzGT+acYJ+RPsxDzmjxkqNzggZGXZLZbfizkCWiZeTMuSodUtfnZ5kaYSxYYJq3fbcxPgZVYYzgZNiJ9WYUDakfWxbGtMItZ/Nrp2QU6v0SCiVrdiQmfp7IqOR1uMosJ0RNQO96E3F/7x2asIbP+NxkhqM2XxRmApiJJm+TnpcITNibAllittbCRtQRZmxARVtCN7iy8ukcV7xriqXDxfl6m0eRwGO4QTOwINrqMI91KAODJ7gGV7hzZHOi/PufMxbV5x85gj+wPn8ATIqjuU=</latexit>

λ k k′
G| k
2d sin θ = λ 2⇡
<latexit sha1_base64="Gps3u7MaNSnLRYmvGDq2z5n3D64=">AAACCnicbVDLSsNAFJ3UV62vqEs30SK4KknxtRGKLnRZwbZCE8pkMmmHTiZh5kYoIWs3/oobF4q49Qvc+TdO2yy09cCFwzn3ztx7/IQzBbb9bZQWFpeWV8qrlbX1jc0tc3unreJUEtoiMY/lvY8V5UzQFjDg9D6RFEc+px1/eDX2Ow9UKhaLOxgl1ItwX7CQEQxa6pn7dTeUmGR1N2F5dp27igkXBhTwhcv1MwHumVW7Zk9gzROnIFVUoNkzv9wgJmlEBRCOleo6dgJehiUwwmlecVNFE0yGuE+7mgocUeVlk1Ny61ArgRXGUpcAa6L+nshwpNQo8nVnhGGgZr2x+J/XTSE89zImkhSoINOPwpRbEFvjXKyASUqAjzTBRDK9q0UGWEcDOr2KDsGZPXmetOs157R2cntcbVwWcZTRHjpAR8hBZ6iBblATtRBBj+gZvaI348l4Md6Nj2lryShmdtEfGJ8/lQea2Q==</latexit>

θ θ 2 sin ✓ =
d G
(in the last step we have used the relation, d G = nGmin
<latexit sha1_base64="7CkPgF2ry+QV/muEK+nqSzhQRiE=">AAAB+nicbVDLSsNAFL2pr1pfqS7dBIvgqiTiayMUXdRlBfuANoTJdNoOnZmEmYlSYj/FjQtF3Pol7vwbJ20WWj0wcDjnXu6ZE8aMKu26X1ZhaXllda24XtrY3Nrescu7LRUlEpMmjlgkOyFShFFBmppqRjqxJIiHjLTD8XXmt++JVDQSd3oSE5+joaADipE2UmCX65eiHvQ40iPJU07FNLArbtWdwflLvJxUIEcjsD97/QgnnAiNGVKq67mx9lMkNcWMTEu9RJEY4TEakq6hAnGi/HQWfeocGqXvDCJpntDOTP25kSKu1ISHZjLLqBa9TPzP6yZ6cOGnVMSJJgLPDw0S5ujIyXpw+lQSrNnEEIQlNVkdPEISYW3aKpkSvMUv/yWt46p3Vj29PanUrvI6irAPB3AEHpxDDW6gAU3A8ABP8AKv1qP1bL1Z7/PRgpXv7MEvWB/fXVCUGA==</latexit>

You may wonder why in this equation we 2d sin ✓ = n


<latexit sha1_base64="FsA81dryOUIm5SVbMHWu6CU9nUA=">AAAB/nicbVDLSsNAFJ3UV62vqLhyM1gEVyUpvjZC0Y3LCrYVmlAmk0k7dDIJMzdCCQV/xY0LRdz6He78G6dtFtp6YOBwzj3cOydIBdfgON9WaWl5ZXWtvF7Z2Nza3rF399o6yRRlLZqIRD0ERDPBJWsBB8EeUsVIHAjWCYY3E7/zyJTmibyHUcr8mPQljzglYKSefVAPPc2lBwMG5Ep6wkRD0rOrTs2ZAi8StyBVVKDZs7+8MKFZzCRQQbTuuk4Kfk4UcCrYuOJlmqWEDkmfdQ2VJGbaz6fnj/GxUUIcJco8CXiq/k7kJNZ6FAdmMiYw0PPeRPzP62YQXfo5l2kGTNLZoigTGBI86QKHXDEKYmQIoYqbWzEdEEUomMYqpgR3/suLpF2vuee1s7vTauO6qKOMDtEROkEuukANdIuaqIUoytEzekVv1pP1Yr1bH7PRklVk9tEfWJ8/IUKVnQ==</latexit>

side rather than nλ as we had in Eq. 14.3.


ifFig.
there14.3
is a reciprocal
Scatteringlattice
off vector
of theG, (21̄0)
Fig. 14.4 Geometry of scattering.
fl
a
a
a
a
a
a
Difração de raios-X
Métodos experiment is

A condição de Laue indica que só há difração de raios-X em certas condições

É necessário variar o comprimento de onda ou o ângulo de incidência para satisfazer k′⃗ − k ⃗ = G ⃗

a
id
~k 0

nd
<latexit sha1_base64="PG0bL43uUW4e/10U2KoCum/Okqk=">AAAB7nicbVDLSgNBEOz1GeMr6tHLYBA9hV3xdQx68RjBPCBZwuykNxkyO7vMzAbCko/w4kERr36PN//GSbIHTSxoKKq66e4KEsG1cd1vZ2V1bX1js7BV3N7Z3dsvHRw2dJwqhnUWi1i1AqpRcIl1w43AVqKQRoHAZjC8n/rNESrNY/lkxgn6Ee1LHnJGjZWanREyMjzrlspuxZ2BLBMvJ2XIUeuWvjq9mKURSsME1brtuYnxM6oMZwInxU6qMaFsSPvYtlTSCLWfzc6dkFOr9EgYK1vSkJn6eyKjkdbjKLCdETUDvehNxf+8dmrCWz/jMkkNSjZfFKaCmJhMfyc9rpAZMbaEMsXtrYQNqKLM2ISKNgRv8eVl0rioeNeVq8fLcvUuj6MAx3AC5+DBDVThAWpQBwZDeIZXeHMS58V5dz7mrStOPnMEf+B8/gCUWY8W</latexit>

fu
di
ão


di

<latexit sha1_base64="RnyzIg4Iy64zhhoBANN9EcBOI5Y=">AAAB7XicbVDLSgNBEJyNrxhfUY9eBoPgKeyKr2PQi8cI5gHJEmYnvcmY2Z1lplcIS/7BiwdFvPo/3vwbJ8keNLGgoajqprsrSKQw6LrfTmFldW19o7hZ2tre2d0r7x80jUo1hwZXUul2wAxIEUMDBUpoJxpYFEhoBaPbqd96Am2Eih9wnIAfsUEsQsEZWqnZxSEg65UrbtWdgS4TLycVkqPeK391+4qnEcTIJTOm47kJ+hnTKLiESambGkgYH7EBdCyNWQTGz2bXTuiJVfo0VNpWjHSm/p7IWGTMOApsZ8RwaBa9qfif10kxvPYzEScpQszni8JUUlR0+jrtCw0c5dgSxrWwt1I+ZJpxtAGVbAje4svLpHlW9S6rF/fnldpNHkeRHJFjcko8ckVq5I7USYNw8kieySt5c5Tz4rw7H/PWgpPPHJI/cD5/AKc3jzI=</latexit>


<latexit sha1_base64="RnyzIg4Iy64zhhoBANN9EcBOI5Y=">AAAB7XicbVDLSgNBEJyNrxhfUY9eBoPgKeyKr2PQi8cI5gHJEmYnvcmY2Z1lplcIS/7BiwdFvPo/3vwbJ8keNLGgoajqprsrSKQw6LrfTmFldW19o7hZ2tre2d0r7x80jUo1hwZXUul2wAxIEUMDBUpoJxpYFEhoBaPbqd96Am2Eih9wnIAfsUEsQsEZWqnZxSEg65UrbtWdgS4TLycVkqPeK391+4qnEcTIJTOm47kJ+hnTKLiESambGkgYH7EBdCyNWQTGz2bXTuiJVfo0VNpWjHSm/p7IWGTMOApsZ8RwaBa9qfif10kxvPYzEScpQszni8JUUlR0+jrtCw0c5dgSxrWwt1I+ZJpxtAGVbAje4svLpHlW9S6rF/fnldpNHkeRHJFjcko8ckVq5I7USYNw8kieySt5c5Tz4rw7H/PWgpPPHJI/cD5/AKc3jzI=</latexit>

Ra
~k
<latexit sha1_base64="XE0rDJtN2ctjqR92V20rvooIPJc=">AAAB7XicbVDLSgNBEOz1GeMr6tHLYBA8hV3xdQx68RjBPCBZwuykNxkzu7PMzAbCkn/w4kERr/6PN//GSbIHTSxoKKq66e4KEsG1cd1vZ2V1bX1js7BV3N7Z3dsvHRw2tEwVwzqTQqpWQDUKHmPdcCOwlSikUSCwGQzvpn5zhEpzGT+acYJ+RPsxDzmjxkqNzggZGXZLZbfizkCWiZeTMuSodUtfnZ5kaYSxYYJq3fbcxPgZVYYzgZNiJ9WYUDakfWxbGtMItZ/Nrp2QU6v0SCiVrdiQmfp7IqOR1uMosJ0RNQO96E3F/7x2asIbP+NxkhqM2XxRmApiJJm+TnpcITNibAllittbCRtQRZmxARVtCN7iy8ukcV7xriqXDxfl6m0eRwGO4QTOwINrqMI91KAODJ7gGV7hzZHOi/PufMxbV5x85gj+wPn8ATIqjuU=</latexit>

~k
<latexit sha1_base64="XE0rDJtN2ctjqR92V20rvooIPJc=">AAAB7XicbVDLSgNBEOz1GeMr6tHLYBA8hV3xdQx68RjBPCBZwuykNxkzu7PMzAbCkn/w4kERr/6PN//GSbIHTSxoKKq66e4KEsG1cd1vZ2V1bX1js7BV3N7Z3dsvHRw2tEwVwzqTQqpWQDUKHmPdcCOwlSikUSCwGQzvpn5zhEpzGT+acYJ+RPsxDzmjxkqNzggZGXZLZbfizkCWiZeTMuSodUtfnZ5kaYSxYYJq3fbcxPgZVYYzgZNiJ9WYUDakfWxbGtMItZ/Nrp2QU6v0SCiVrdiQmfp7IqOR1uMosJ0RNQO96E3F/7x2asIbP+NxkhqM2XxRmApiJJm+TnpcITNibAllittbCRtQRZmxARVtCN7iy8ukcV7xriqXDxfl6m0eRwGO4QTOwINrqMI91KAODJ7gGV7hzZHOi/PufMxbV5x85gj+wPn8ATIqjuU=</latexit>

θ
d
<latexit sha1_base64="pbrTBi+I5TdMb2KRSYVNYXSeyj4=">AAAB6HicbVDLSgNBEOz1GeMr6tHLYBA8hV3xdQx68ZiAeUCyhNnZ3mTM7OwyMyuEkC/w4kERr36SN//GSbIHTSxoKKq66e4KUsG1cd1vZ2V1bX1js7BV3N7Z3dsvHRw2dZIphg2WiES1A6pRcIkNw43AdqqQxoHAVjC8m/qtJ1SaJ/LBjFL0Y9qXPOKMGivVw16p7FbcGcgy8XJShhy1XumrGyYsi1EaJqjWHc9NjT+mynAmcFLsZhpTyoa0jx1LJY1R++PZoRNyapWQRImyJQ2Zqb8nxjTWehQHtjOmZqAXvan4n9fJTHTjj7lMM4OSzRdFmSAmIdOvScgVMiNGllCmuL2VsAFVlBmbTdGG4C2+vEya5xXvqnJZvyhXb/M4CnAMJ3AGHlxDFe6hBg1ggPAMr/DmPDovzrvzMW9dcfKZI/gD5/MHyymM8g==</latexit>

2θ Radiação incidente Radiação não-difundida



<latexit sha1_base64="RnyzIg4Iy64zhhoBANN9EcBOI5Y=">AAAB7XicbVDLSgNBEJyNrxhfUY9eBoPgKeyKr2PQi8cI5gHJEmYnvcmY2Z1lplcIS/7BiwdFvPo/3vwbJ8keNLGgoajqprsrSKQw6LrfTmFldW19o7hZ2tre2d0r7x80jUo1hwZXUul2wAxIEUMDBUpoJxpYFEhoBaPbqd96Am2Eih9wnIAfsUEsQsEZWqnZxSEg65UrbtWdgS4TLycVkqPeK391+4qnEcTIJTOm47kJ+hnTKLiESambGkgYH7EBdCyNWQTGz2bXTuiJVfo0VNpWjHSm/p7IWGTMOApsZ8RwaBa9qfif10kxvPYzEScpQszni8JUUlR0+jrtCw0c5dgSxrWwt1I+ZJpxtAGVbAje4svLpHlW9S6rF/fnldpNHkeRHJFjcko8ckVq5I7USYNw8kieySt5c5Tz4rw7H/PWgpPPHJI/cD5/AKc3jzI=</latexit>


<latexit sha1_base64="RnyzIg4Iy64zhhoBANN9EcBOI5Y=">AAAB7XicbVDLSgNBEJyNrxhfUY9eBoPgKeyKr2PQi8cI5gHJEmYnvcmY2Z1lplcIS/7BiwdFvPo/3vwbJ8keNLGgoajqprsrSKQw6LrfTmFldW19o7hZ2tre2d0r7x80jUo1hwZXUul2wAxIEUMDBUpoJxpYFEhoBaPbqd96Am2Eih9wnIAfsUEsQsEZWqnZxSEg65UrbtWdgS4TLycVkqPeK391+4qnEcTIJTOm47kJ+hnTKLiESambGkgYH7EBdCyNWQTGz2bXTuiJVfo0VNpWjHSm/p7IWGTMOApsZ8RwaBa9qfif10kxvPYzEScpQszni8JUUlR0+jrtCw0c5dgSxrWwt1I+ZJpxtAGVbAje4svLpHlW9S6rF/fnldpNHkeRHJFjcko8ckVq5I7USYNw8kieySt5c5Tz4rw7H/PWgpPPHJI/cD5/AKc3jzI=</latexit>

a
Difração de raios-X
Construç o de Ew ld

Rede recíproca

Esfera de raio | k ⃗ |
centrada no ponto k ⃗

Só há difração se houver
um segundo ponto da rede
~k recíproca sobre o círculo
<latexit sha1_base64="WcEvBsomOa7ztJ07uqPC257tZUM=">AAAB7XicdVDLSgMxFM3UV62vqks3wSK4GjJ1tHVXdOOygn1AO5RMmmljM8mQZAql9B/cuFDErf/jzr8xbUdQ0QMXDufcy733hAln2iD04eRWVtfWN/Kbha3tnd294v5BU8tUEdogkkvVDrGmnAnaMMxw2k4UxXHIaSscXc/91pgqzaS4M5OEBjEeCBYxgo2Vmt0xJXDUK5aQW/Ur6MyHyEULWFL2fFS+hF6mlECGeq/43u1LksZUGMKx1h0PJSaYYmUY4XRW6KaaJpiM8IB2LBU4pjqYLq6dwROr9GEklS1h4EL9PjHFsdaTOLSdMTZD/dubi395ndRE1WDKRJIaKshyUZRyaCScvw77TFFi+MQSTBSzt0IyxAoTYwMq2BC+PoX/k2bZ9S7c81u/VLvK4siDI3AMToEHKqAGbkAdNAAB9+ABPIFnRzqPzovzumzNOdnMIfgB5+0Tch6PEQ==</latexit>

Condição de Laue
~k 0 ~k = G
~
<latexit sha1_base64="Ie12W0T8Nxd+72p2qAcFp3IOcnI=">AAAB/nicbVDLSgMxFM3UV62vUXHlJlhEN5YZ8bURii50WcE+oB1KJr3ThmYyQ5IplKHgr7hxoYhbv8Odf2PazkJbD4R7OOde7s3xY86UdpxvK7ewuLS8kl8trK1vbG7Z2zs1FSWSQpVGPJINnyjgTEBVM82hEUsgoc+h7vdvx359AFKxSDzqYQxeSLqCBYwSbaS2vdcaAMX9o5NpvZ6Uu7ZddErOBHieuBkpogyVtv3V6kQ0CUFoyolSTdeJtZcSqRnlMCq0EgUxoX3ShaahgoSgvHRy/ggfGqWDg0iaJzSeqL8nUhIqNQx90xkS3VOz3lj8z2smOrjyUibiRIOg00VBwrGO8DgL3GESqOZDQwiVzNyKaY9IQrVJrGBCcGe/PE9qpyX3onT+cFYs32Rx5NE+OkDHyEWXqIzuUQVVEUUpekav6M16sl6sd+tj2pqzspld9AfW5w87yJRj</latexit>
ã
a
Difração de raios-X
Método de L ue

Rede recíproca

Esfera de raio | k1⃗ |


centrada no ponto k1⃗

Feixe incidente policromático:

[ | k2⃗ | | k1⃗ | ]
2π 2π
~k2 λ∈ ,
<latexit sha1_base64="Ui6bKCXyxSvGPmcXymCIidYuZMU=">AAAB73icdVDLSgMxFM3UV62vqks3wSK4GiZ9zHRZdOOygn1AO5RMmmlDM5kxyRTK0J9w40IRt/6OO//G9CGo6IELh3Pu5d57goQzpR3nw8ptbG5t7+R3C3v7B4dHxeOTtopTSWiLxDyW3QArypmgLc00p91EUhwFnHaCyfXC70ypVCwWd3qWUD/CI8FCRrA2Urc/pQROBuVBseTYyCvXPAQdu1r3ym7FEFSpu8iFyHaWKIE1moPie38YkzSiQhOOleohJ9F+hqVmhNN5oZ8qmmAywSPaM1TgiCo/W947hxdGGcIwlqaEhkv1+0SGI6VmUWA6I6zH6re3EP/yeqkO637GRJJqKshqUZhyqGO4eB4OmaRE85khmEhmboVkjCUm2kRUMCF8fQr/J+2yjVy7dlstNa7WceTBGTgHlwABDzTADWiCFiCAgwfwBJ6te+vRerFeV605az1zCn7AevsEzVOP2A==</latexit>

~k1
<latexit sha1_base64="XmUi2hleDc/jWOHzX2X94/7cqs8=">AAAB73icdVBNS8NAEN34WetX1aOXxSJ4CklttL0VvXisYD+gDWWznbZLN5u4uymU0D/hxYMiXv073vw3btsIKvpg4PHeDDPzgpgzpR3nw1pZXVvf2Mxt5bd3dvf2CweHTRUlkkKDRjyS7YAo4ExAQzPNoR1LIGHAoRWMr+d+awJSsUjc6WkMfkiGgg0YJdpI7e4EKB733F6h6NiVctU597BjOwsYUnI9x6tiN1OKKEO9V3jv9iOahCA05USpjuvE2k+J1IxymOW7iYKY0DEZQsdQQUJQfrq4d4ZPjdLHg0iaEhov1O8TKQmVmoaB6QyJHqnf3lz8y+skelDxUybiRIOgy0WDhGMd4fnzuM8kUM2nhhAqmbkV0xGRhGoTUd6E8PUp/p80S7Z7YXu35WLtKosjh47RCTpDLrpENXSD6qiBKOLoAT2hZ+veerRerNdl64qVzRyhH7DePgGlB4+8</latexit>

Esfera de raio | k2⃗ |


centrada no ponto k2⃗

Há difração se houver
algum ponto da rede
recíproca na região a
sombreado…
a
Difração de raios-X
Método de L ue

A “película fotográ ca” Para cada θ há re exões


coloca-se atrás, à frente de Bragg correspondentes

a
id
ou à volta do cristal

nd
a λ, λ/2, λ/3, …

fu
di
ão

di
Ra
Radiação incidente Radiação não-difundida
Policromática…

Como o feixe incidente não é monocromático,


haverá sempre um plano onde ocorre difração para
um dado comprimento de onda presente no feixe

Quartzo, difratograma de Laue obtido no CFisUC


fl
a
fi
Difração de raios-X
Construç o de Ew ld

Rede recíproca

Esfera de raio | k ⃗ |
centrada no ponto k ⃗

Roda-se a rede até que pelo


~k 0 menos um dos seus pontos
<latexit sha1_base64="ANSJFn6B5sAxB8bwEt0+JtvPNAE=">AAAB7nicdVDLSsNAFJ34rPVVdelmsIiuwqTaxO6KblxWsA9oQ5lMJ+2QySTMTAol9CPcuFDErd/jzr9x+hBU9MCFwzn3cu89QcqZ0gh9WCura+sbm4Wt4vbO7t5+6eCwpZJMEtokCU9kJ8CKciZoUzPNaSeVFMcBp+0gupn57TGViiXiXk9S6sd4KFjICNZGavfGlMDorF8qI9upIeTWILIv3EqtWjHE8zzX8aBjoznKYIlGv/TeGyQki6nQhGOlug5KtZ9jqRnhdFrsZYqmmER4SLuGChxT5efzc6fw1CgDGCbSlNBwrn6fyHGs1CQOTGeM9Uj99mbiX1430+GVnzORZpoKslgUZhzqBM5+hwMmKdF8YggmkplbIRlhiYk2CRVNCF+fwv9Jq2I7rl29uyzXr5dxFMAxOAHnwAEeqINb0ABNQEAEHsATeLZS69F6sV4XrSvWcuYI/ID19gkR8o9t</latexit>

~ ~
<latexit sha1_base64="s8Y3iCp/BB1i4fc1uvUVLDO8bXo=">AAAB7XicbVDLSgNBEOyNrxhfUY9eBoPgKeyKr2PQgx4jmAckS5iddJIxs7PLzGwgLPkHLx4U8er/ePNvnCR70MSChqKqm+6uIBZcG9f9dnIrq2vrG/nNwtb2zu5ecf+grqNEMayxSESqGVCNgkusGW4ENmOFNAwENoLh7dRvjFBpHslHM47RD2lf8h5n1Fip3h4hI3edYsktuzOQZeJlpAQZqp3iV7sbsSREaZigWrc8NzZ+SpXhTOCk0E40xpQNaR9blkoaovbT2bUTcmKVLulFypY0ZKb+nkhpqPU4DGxnSM1AL3pT8T+vlZjetZ9yGScGJZsv6iWCmIhMXyddrpAZMbaEMsXtrYQNqKLM2IAKNgRv8eVlUj8re5fli4fzUuUmiyMPR3AMp+DBFVTgHqpQAwZP8Ayv8OZEzovz7nzMW3NONnMIf+B8/gD7i47B</latexit>

G que sobre a esfera


<latexit sha1_base64="WcEvBsomOa7ztJ07uqPC257tZUM=">AAAB7XicdVDLSgMxFM3UV62vqks3wSK4GjJ1tHVXdOOygn1AO5RMmmljM8mQZAql9B/cuFDErf/jzr8xbUdQ0QMXDufcy733hAln2iD04eRWVtfWN/Kbha3tnd294v5BU8tUEdogkkvVDrGmnAnaMMxw2k4UxXHIaSscXc/91pgqzaS4M5OEBjEeCBYxgo2Vmt0xJXDUK5aQW/Ur6MyHyEULWFL2fFS+hF6mlECGeq/43u1LksZUGMKx1h0PJSaYYmUY4XRW6KaaJpiM8IB2LBU4pjqYLq6dwROr9GEklS1h4EL9PjHFsdaTOLSdMTZD/dubi395ndRE1WDKRJIaKshyUZRyaCScvw77TFFi+MQSTBSzt0IyxAoTYwMq2BC+PoX/k2bZ9S7c81u/VLvK4siDI3AMToEHKqAGbkAdNAAB9+ABPIFnRzqPzovzumzNOdnMIfgB5+0Tch6PEQ==</latexit>

k
fi
ã
a
Difração de raios-X
Método do crist l rot tivo

O detetor move-se num


plano para adquirir o

a
id
padrão de difração

nd
fu
di
ão

di
Ra
Radiação incidente Radiação não-difundida
Monocromática!

Roda-se o cristal em torno de 3 eixos para que a


rede recíproca (que roda solidária com o cristal)
atravesse a esfera de Ewald

Difratómetro do CFisUC em operação


a
a
Difração de raios-X
Método do pó

O detetor move-se num


plano para adquirir o

a
id
padrão de difração

nd
fu
di
ão

di
Ra
Radiação incidente Radiação não-difundida
Monocromática!

Em vez de um pequeno cristal, usa-se uma amostra


policristalina (“pó”, constituído por cristais
micrométricos), onde os grãos têm uma orientação
aleatória: não é necessário rodar o cristal!
Difratómetro de pó com película fotográ ca
fi
Difração de raios-X
Produç o dos r ios-X É esta
radiação (~1% do
Filamento de Mo/Th total) que é usada
aquecido pela passagem de uma para difração
corrente elétrica Eletrões
emitidos por efeito Tensão de aceleração dos
termiónico eletrões (10-60 kV) Bremsstrahlung

Alvo Circuito
metálico de água para
(ânodo) arrefecer o
ânodo

Radiação
emitida na travagem dos
eletrões que incidem na placa
(bremsstrahlung) ou na emissão e
subsequente captura dos Radiação
eletrões do alvo característica do alvo
Ampola de raios-X (tubo de Coolidge)
ã
a
Difração de raios-X
Produç o dos r ios-X

A radiação de sincrotrão é emitida quando


são de etidos (nos onduladores e nos
European Synchrotron Radiation Facility (ESRF), Grenoble
magnetes) eletrões “relativistas”
fl
ã
a
Difração de raios-X
F tor de Estrutur
2 3
G ⃗ é um vetor qualquer da
Z
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D E 1 X
~k 0 V̂ ~k = 4 i(~
k0 ~ ~
k)·R 5 i(~
k0 ~
k)·~
x
e d~x e V (~x)
V célula unitária rede recíproca
~
R

<latexit sha1_base64="k0HeeDKN2eqcOcVX7awcFK/zS7s=">AAAC13icbVJNj9MwEJ2Er6V8bIEjF4sKARJbJYivC9IKDnBcpG13UVMqx3G3Vu0ksp1lSxRxACGu/DVuHDnyL3jt5tDuYmky8968GTtjp6VWzkfR7yC8cPHS5StbVzvXrt+4ud29dXvoisoKORCFLuxhyp3UKpcDr7yWh6WV3KRaHqTzN8v8wbG0ThX5vl+Ucmz4Ua6mSnAPquh+oleUECdNJc3gE2KwjCQYDzyhGvgYWCAzpwe0s4Efr6G31AApylE5QeTBn+BryaCLoL/oWcE4tBVUCrk/yCowDbhsrddJexJDKRVANfiGPsLvQL++ZwKfQeM3qptV/ZAebrCPJt1e1I9Wi50P4jboUbv2Jt1fSVaIysjcC82dG8VR6cc1t14JLZtOUjlZcjHnR3KEMOdGunG9upeG3QeTsWlhYblnK3a9oubGuYVJoTTcz9zZ3JL8X25U+enLca3ysvIyF6cbTSvNfMGWl8wyZaXweoGAC6twViZm3HLh8RQ6GEJ89pfPB8Mn/fh5/9n7p73d1+04tugu3cNIY3pBu/SO9mhAItgPPgdfg2/hh/BL+D38cSoNg7bmDm2s8Oc/Dh+5Vg==</latexit>

Z
~ x
iG·~
=↵ ~
k0 ~ ~
k,G d~x e V (~x)
célula unitária
Átomos na célula
<latexit sha1_base64="eEKICTGAG0UwzsSBr/sCP+eOGzs=">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</latexit>

Z X unitária (motivo…)
~ x
iG·~
=↵ ~
k0 ~ ~
k,G d~x e Vj (~x ~xj )
célula unitária j
0
<latexit sha1_base64="rUk71d3D1UgjkiYJSIKF+V43WGA=">AAACAHicbVC7TsMwFHXKq5RXgIGBxaJCsFAliNeCVMHCWCT6kNooctyb1tR5yHYqqqgLv8LCAEKsfAYbf4PbZIDCkax7dM69ur7HizmTyrK+jMLc/MLiUnG5tLK6tr5hbm41ZJQICnUa8Ui0PCKBsxDqiikOrVgACTwOTW9wPfGbQxCSReGdGsXgBKQXMp9RorTkmjudIVD8cHCZ1aOsuPeuWbYq1hT4L7FzUkY5aq752elGNAkgVJQTKdu2FSsnJUIxymFc6iQSYkIHpAdtTUMSgHTS6QFjvK+VLvYjoV+o8FT9OZGSQMpR4OnOgKi+nPUm4n9eO1H+hZOyME4UhDRb5CccqwhP0sBdJoAqPtKEUMH0XzHtE0Go0pmVdAj27Ml/SeO4Yp9VTm9PytWrPI4i2kV76BDZ6BxV0Q2qoTqiaIye0At6NR6NZ+PNeM9aC0Y+s41+wfj4BjjJlYs=</latexit>

~x = ~x ~xj
<latexit sha1_base64="2Nks5KitpM3UZr9B4jki2M8GAIc=">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</latexit>

XZ ~ x0 +~
0 iG·(~ xj ) 0
=↵ ~
k0 ~ ~
k,G d~x e Vj (~x )
j célula unitária Para a interação de raios-X com átomos, Vj é
proporcional à densidade eletrónica do átomo
<latexit sha1_base64="ei+SsA3T8+cR9cSlAhjUGnoJ7YI=">AAADSXicpVI9j9NAEB07wB3hK0BJYxGhgMRFNuKABukEBZSHRO5OSkK0Xm8uS9Zea3d9SmTlP/EraOjoKCmRaChAiIoXn0FJjo6RxvvmzbzZ8WjjXEnrwvCT5zfOnb+wtX2xeenylavXWtdvHFhdGC56XCttjmJmhZKZ6DnplDjKjWBprMRhPH2+zB+eCGOlzl67eS6GKTvO5Fhy5kDp1jt6SgNipCinCc4BBfCEBBiHeEQl4hPEHJkpdWhnLb6/Er2gRa23VFAK7ds6TikmTTP0Eqh5g3OH5JpygDNBjVthZ1WHPz1jsK6aUFIGNAJy4Gb4GtxQQvMFUxdwBkWBKoncZ2QlmAW4ZK175z+n6/ydzWB3upr27kbFvVGrHXbDyoKzIKpBm2rbH7U+DhLNi1RkjitmbT8KczcsmXGSK7FoDgorcsan7Fj0ATOWCjssq5ewCO6ASYKxNvDMBRW7qihZau08jVGZMjexm7kl+a9cv3DjJ8NSZnnhRMZPLxoXKnA6WD6rIJFGcKfmAIwbiVkDPmGGcYfH18QSos1fPgsOHnSjR93dVw/be8/qdWzTLbqNpUb0mPboJe1Tj7j33vvqffd++B/8b/5P/9dpqe/Vmpu0Zo3Gb0qJ0WI=</latexit>

X Z
~ xj 0 ~ x0
=↵ ~
k0 ~ ~
k,G e iG·~
d~x e iG·~
⇢j (~x0 )
j célula unitária
a
a
Difração de raios-X
F tor de Estrutur

D E
<latexit sha1_base64="Q5R0LN8Zi+yU4IL2NHbijCx6hVY=">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</latexit>

X Z
~k 0 V̂ ~k / ~ xj
iG·~ 0 ~ x0
iG·~ 0
~
k0 ~ ~
k,G e d~x e ⇢j (~x )
j célula unitária

<latexit sha1_base64="gxDBQ3+oRvbo+BY72tsaFgyt9HA=">AAACsXicbVFLb9NAEB6bVwmvAEcuKyIEPRDZ5XlBquAAxyI1bVHshvV63SzZh7U7rhpZ/pPcOHLkXzBJfQgpI83uzPd9s4+ZotYqYJL8iuJr12/cvLVze3Dn7r37D4YPHx0F13ghJ8Jp508KHqRWVk5QoZYntZfcFFoeF4tPK/74XPqgnD3EZS1zw8+sqpTgSJAbllDBDH7AC8jgHCQIYPAZduED5QosILEZrRIuaPVgoCXNH9DQkHNSN6RSxP0mVhHSEVZunHYBzylj5AYKcJS3xHRwSvtLqti8N6O9JA1u1Xf9CR7mxG6/d6XYnQ1HyThZG7sapH0wgt4OZsOfWelEY6RFoXkI0zSpMW+5RyW07AZZE2TNxYKfySmFlhsZ8nbd8Y49I6RklfPkFtka3axouQlhaQpSGo7zsM2twP9x0war93mrbN2gtOLyoqrRDB1bjY+VykuBekkBF17RW5mYc88F0pAH1IR0+8tXg6O9cfp2/Obr69H+x74dO/AEnlJTU3gH+/AFDmACIhpHh1Eencav4m/x97i4lMZRX/MY/rF48ReEPLCV</latexit>

Z
~ = 0 ~ x0
D E
<latexit sha1_base64="oeaeHzMlPZwRZqVbgra8jyxm+PM=">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</latexit>

X fj (G) d~x e iG·~


⇢j (~x0 )
~k 0 V̂ ~k / ~ xj
iG·~ ~ célula unitária
~
k0 ~ ~
k,G e fj (G)
j
Fator de forma atómico
Fator de estrutura

2
<latexit sha1_base64="izH7sh/4XVQGMuGAooi+aK/gSXg=">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</latexit>

<latexit sha1_base64="1QtYRT9U87m6ezMu0EIEnxlVbz8=">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</latexit>

D
2⇡ ~ 0 E 2 X
~ ~ ~ xj
0
(k ! k ) = k V̂ ~k E~k0 E~k / e iG·~ ~
fj (G)
~
j

Depende apenas do
~k 0 ~k = G~
<latexit sha1_base64="Ie12W0T8Nxd+72p2qAcFp3IOcnI=">AAAB/nicbVDLSgMxFM3UV62vUXHlJlhEN5YZ8bURii50WcE+oB1KJr3ThmYyQ5IplKHgr7hxoYhbv8Odf2PazkJbD4R7OOde7s3xY86UdpxvK7ewuLS8kl8trK1vbG7Z2zs1FSWSQpVGPJINnyjgTEBVM82hEUsgoc+h7vdvx359AFKxSDzqYQxeSLqCBYwSbaS2vdcaAMX9o5NpvZ6Uu7ZddErOBHieuBkpogyVtv3V6kQ0CUFoyolSTdeJtZcSqRnlMCq0EgUxoX3ShaahgoSgvHRy/ggfGqWDg0iaJzSeqL8nUhIqNQx90xkS3VOz3lj8z2smOrjyUibiRIOg00VBwrGO8DgL3GESqOZDQwiVzNyKaY9IQrVJrGBCcGe/PE9qpyX3onT+cFYs32Rx5NE+OkDHyEWXqIzuUQVVEUUpekav6M16sl6sd+tj2pqzspld9AfW5w87yJRj</latexit>

elemento químico em xj⃗


Átomos do
E~k0 = E~k
<latexit sha1_base64="Ffo+VgTo7clpl1dEkdsp3CEiWBo=">AAAB/3icbZDLSsNAFIYnXmu9RQU3bgaL6Kok4m0jFEVwWcFeoA1hMj1ph04uzEwKJWbhq7hxoYhbX8Odb+O0DaKtPwx8/OcczpnfizmTyrK+jLn5hcWl5cJKcXVtfWPT3NquyygRFGo04pFoekQCZyHUFFMcmrEAEngcGl7/elRvDEBIFoX3ahiDE5BuyHxGidKWa+7euGl7ABT3D7PLH85cs2SVrbHwLNg5lFCuqmt+tjsRTQIIFeVEypZtxcpJiVCMcsiK7URCTGifdKGlMSQBSCcd35/hA+10sB8J/UKFx+7viZQEUg4DT3cGRPXkdG1k/ldrJcq/cFIWxomCkE4W+QnHKsKjMHCHCaCKDzUQKpi+FdMeEYQqHVlRh2BPf3kW6sdl+6x8endSqlzlcRTQHtpHR8hG56iCblEV1RBFD+gJvaBX49F4Nt6M90nrnJHP7KA/Mj6+AQAMlXc=</latexit>

“motivo”
a
a
Difração de raios-X
Difr ç o de r ios-X e difr ç o de neutrões
2
<latexit sha1_base64="izH7sh/4XVQGMuGAooi+aK/gSXg=">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</latexit>

<latexit sha1_base64="1QtYRT9U87m6ezMu0EIEnxlVbz8=">AAACjnicbVFdb9MwFHXC1+j4yOCRF4sK0T1QNRVsCDQxgRB7HBLtJtWlunFvGqvOh+yboSrLz+EP8ca/wU0iNDauZOvonHOv7eOo0MrSaPTb82/dvnP33s793u6Dh48eB3tPpjYvjcSJzHVuziOwqFWGE1Kk8bwwCGmk8Sxaf9rqZxdorMqzb7QpcJ7CKlOxkkCOWgQ/xRdIUxiIC5R8LYxaJQTG5D9a4uX+kYgNyGosClVXIonA1EJjTJfNLjRkK428c3dKAsSn7azLq4OFadyd8n0slqgJmqbB50XVDalf/cV1a91fBP3RcNQUvwnCDvRZV6eL4JdY5rJMMSOpwdpZOCpoXoEhJTXWPVFaLECuYYUzBzNI0c6rJs6av3DMkse5cSsj3rBXOypIrd2kkXOmQIm9rm3J/2mzkuK380plRUmYyfaguNSccr79G75UBiXpjQMgjXJ35TIBFz+5H+y5EMLrT74JpuNheDB88/V1//hjF8cOe8aeswEL2SE7ZifslE2Y9Ha90HvnvfcD/8A/8j+0Vt/rep6yf8o/+QNW0siw</latexit>

D
2⇡ ~ 0 E 2 X
~ ~ ~ xj
0
(k ! k ) = k V̂ ~k E~k0 E~k / e iG·~ ~
fj (G)
~
j
X
Z Estamos a assumir que V (~
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<latexit sha1_base64="gxDBQ3+oRvbo+BY72tsaFgyt9HA=">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</latexit>

~ x 0
x) = Vj (~x ~xj )
~ =
fj (G) 0
d~x e iG·~ 0
⇢j (~x ) j
célula unitária
… e que a interação é proporcional à densidade eletrónica
porque os raios-X são dispersos pelos eletrões…

Como fj ∝ Zj , os átomos leves vão difratar pouco…

… e átomos vizinhos na tabela periódica


vão ter fatores de estrutura parecidos

O potencial V(x)⃗ será diferente, visto que os neutrões são


Mas se o feixe incidente for constituído por neutrões
dispersos fundamentalmente pelos núcleos
térmicos (energia cinética ∼ kBT, com T ∼ 298 K),
Com difração de neutrões é fácil “ver” os átomos de hidrogénio e cujo comprimento de onda é da ordem do Å …
também é possível determinar o momento magnético dos átomos
a
ã
a
a
ã
Difração de raios-X
Exemplo
2
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D E 2 X Z
2⇡ ~ 0
<latexit sha1_base64="gxDBQ3+oRvbo+BY72tsaFgyt9HA=">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</latexit>

<latexit sha1_base64="1QtYRT9U87m6ezMu0EIEnxlVbz8=">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</latexit>

~ ~ ~ xj ~ = ~ x0
0
(k ! k ) = k V̂ ~k E~k0 E~k / e iG·~ ~
fj (G) fj (G) 0
d~x e iG·~ 0
⇢j (~x )
~ célula unitária
j

Cs: [0, 0, 0]
<latexit sha1_base64="R70Ygk39OriIKGfoKHCV3akYXEM=">AAAB7nicbVDLSgNBEOyNrxhfUY9eBoPgQcKu+DoGvXiMYB6wWcLspJMMmZ1dZmaFsOQjvHhQxKvf482/cZLsQRNrGCiquunuChPBtXHdb6ewsrq2vlHcLG1t7+zulfcPmjpOFcMGi0Ws2iHVKLjEhuFGYDtRSKNQYCsc3U391hMqzWP5aMYJBhEdSN7njBortXz3zL6gW664VXcGsky8nFQgR71b/ur0YpZGKA0TVGvfcxMTZFQZzgROSp1UY0LZiA7Qt1TSCHWQzdadkBOr9Eg/VvZLQ2bq746MRlqPo9BWRtQM9aI3Ff/z/NT0b4KMyyQ1KNl8UD8VxMRkejvpcYXMiLEllCludyVsSBVlxiZUsiF4iycvk+Z51buqXj5cVGq3eRxFOIJjOAUPrqEG91CHBjAYwTO8wpuTOC/Ou/MxLy04ec8h/IHz+QOMlo5q</latexit>

Rede cúbica simples com motivo 


<latexit sha1_base64="dDK1I5uf6HiI6oN7r2KhMMsv6GM=">AAACGXicdZDLSsNAFIYn9VbrLerSzWARXEhJirdl0Y3LCvYCSSiT6aQdOrkwcyKUkNdw46u4caGIS135Nk7bLLTVHwY+/nMOZ87vJ4IrsKwvo7S0vLK6Vl6vbGxube+Yu3ttFaeSshaNRSy7PlFM8Ii1gINg3UQyEvqCdfzR9aTeuWdS8Ti6g3HCvJAMIh5wSkBbPdNyBQvAcQNJaGbnWT0/+YddyQdD8Hpm1apZU+FFsAuookLNnvnh9mOahiwCKohSjm0l4GVEAqeC5RU3VSwhdEQGzNEYkZApL5teluMj7fRxEEv9IsBT9+dERkKlxqGvO0MCQzVfm5h/1ZwUgksv41GSAovobFGQCgwxnsSE+1wyCmKsgVDJ9V8xHRIdBugwKzoEe/7kRWjXa/Z57ez2tNq4KuIoowN0iI6RjS5QA92gJmohih7QE3pBr8aj8Wy8Ge+z1pJRzOyjXzI+vwEkgqEH</latexit>

1 1 1
Cl: , ,
2 2 2

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X ~ xj
<latexit sha1_base64="+TnZNfajpfhni+zXP0P5g0EYoVY=">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</latexit>

~~ ~ xCl ~ = h~b1 + k~b2 + `~b3


<latexit sha1_base64="269cY2d22YE9hvktRXDPrDffc8U=">AAACEHicbVDLSgMxFM3UV62vUZdugkUUCmWmPjdC0YUuK9ha6Awlk962oZkHSaZQhn6CG3/FjQtF3Lp059+YTmehrQdCTs65l5t7vIgzqSzr28gtLC4tr+RXC2vrG5tb5vZOQ4axoFCnIQ9F0yMSOAugrpji0IwEEN/j8OANrif+wxCEZGFwr0YRuD7pBazLKFFaapuHzhAovrnsp7fXtkuDjFVKDnCePY7bZtEqWynwPLEzUkQZam3zy+mENPYhUJQTKVu2FSk3IUIxymFccGIJEaED0oOWpgHxQbpJutAYH2ilg7uh0CdQOFV/dyTEl3Lke7rSJ6ovZ72J+J/XilX3wk1YEMUKAjod1I05ViGepIM7TABVfKQJoYLpv2LaJ4JQpTMs6BDs2ZXnSaNSts/Kp3cnxepVFkce7aF9dIRsdI6q6BbVUB1R9Iie0St6M56MF+Pd+JiW5oysZxf9gfH5A+Z8m0I=</latexit>

~ = iG·~ ~ =e iG· 0 ~ +e iG·~ ~


CsCl (cloreto de césio) S(G) e fj (G) fCs (G) fCl (G) G
j
~ +e ~
<latexit sha1_base64="Afd1QsnVSGqd6w1KdpaG08Eyx28=">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</latexit>

⇡i(h+k+`)
= fCs (G) fCl (G)

~ + ( 1)h+k+` fCl (G)


~
<latexit sha1_base64="b4kXwcfQsPBtUnj9PRwsIxhkz6g=">AAACJnicbVDJSgNBFOxxjXGLevTSGISEYJgRt0sgmIMeI5gFMjH0dN4kTXoWunsCYcjXePFXvHiIiHjzU+wsSEwsaCiq6tHvlRNyJpVpfhkrq2vrG5uJreT2zu7efurgsCqDSFCo0IAHou4QCZz5UFFMcaiHAojncKg5vdLYr/VBSBb4j2oQQtMjHZ+5jBKlpVaqUHBbtkdUV3hxSQ4zdh8ovsvmMmdW9inu5no5Gzgf2nguxn9jrVTazJsT4GVizUgazVBupUZ2O6CRB76inEjZsMxQNWMiFKMchkk7khAS2iMdaGjqEw9kM56cOcSnWmljNxD6+QpP1PmJmHhSDjxHJ8erykVvLP7nNSLl3jRj5oeRAp9OP3IjjlWAx53hNhNAFR9oQqhgeldMu0QQqnSzSV2CtXjyMqme562r/OXDRbp4O6sjgY7RCcogC12jIrpHZVRBFD2jVzRC78aL8WZ8GJ/T6IoxmzlCf2B8/wCoJ6QP</latexit>

= fCs (G)
Difração de raios-X
Exemplo
2
<latexit sha1_base64="izH7sh/4XVQGMuGAooi+aK/gSXg=">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</latexit>

D E 2 X Z
2⇡ ~ 0
<latexit sha1_base64="gxDBQ3+oRvbo+BY72tsaFgyt9HA=">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</latexit>

<latexit sha1_base64="1QtYRT9U87m6ezMu0EIEnxlVbz8=">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</latexit>

~ ~ ~ xj ~ = ~ x0
0
(k ! k ) = k V̂ ~k E~k0 E~k / e iG·~ ~
fj (G) fj (G) 0
d~x e iG·~ 0
⇢j (~x )
~ célula unitária
j

<latexit sha1_base64="K1kNQoMq2p664EslFmV16m7jMnQ=">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</latexit>

X ~ xj
~ = ~ = fCs (G)
~ + ( 1)h+k+` fCl (G)
~
<latexit sha1_base64="b4kXwcfQsPBtUnj9PRwsIxhkz6g=">AAACJnicbVDJSgNBFOxxjXGLevTSGISEYJgRt0sgmIMeI5gFMjH0dN4kTXoWunsCYcjXePFXvHiIiHjzU+wsSEwsaCiq6tHvlRNyJpVpfhkrq2vrG5uJreT2zu7efurgsCqDSFCo0IAHou4QCZz5UFFMcaiHAojncKg5vdLYr/VBSBb4j2oQQtMjHZ+5jBKlpVaqUHBbtkdUV3hxSQ4zdh8ovsvmMmdW9inu5no5Gzgf2nguxn9jrVTazJsT4GVizUgazVBupUZ2O6CRB76inEjZsMxQNWMiFKMchkk7khAS2iMdaGjqEw9kM56cOcSnWmljNxD6+QpP1PmJmHhSDjxHJ8erykVvLP7nNSLl3jRj5oeRAp9OP3IjjlWAx53hNhNAFR9oQqhgeldMu0QQqnSzSV2CtXjyMqme562r/OXDRbp4O6sjgY7RCcogC12jIrpHZVRBFD2jVzRC78aL8WZ8GJ/T6IoxmzlCf2B8/wCoJ6QP</latexit>

iG·~
S(G) e fj (G)
j
Mas este cristal é um cristal iónico…
<latexit sha1_base64="K1kNQoMq2p664EslFmV16m7jMnQ=">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</latexit>

X ~ xj
~ = ~ ~ ~
<latexit sha1_base64="AVsfTm3FfY+7SYJVOjMwVb+rYiA=">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</latexit>

iG·~ h+k+`
S(G) e fj (G) = fCs+ (G) + ( 1) fCl (G)
j ⇢
CsCl (cloreto de césio) ~ + fCl (G)
~
<latexit sha1_base64="IlnQLgWy03Iv3Qv2Y02HzMRrY8Y=">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</latexit>

fCs+ (G) , h + k + ` par


= ~ ~
fCs+ (G) fCl (G) , h + k + ` ı́mpar
<latexit sha1_base64="HRrDwYPsFIQ0xIhGLInhYQJvBcU=">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</latexit>

8
2
>
< fCs+ (G)
~ + fCl (G)
~ , h + k + ` par
(~k ! ~k 0 ) / 2
> ~
: fCs+ (G) ~
fCl (G) , h + k + ` ı́mpar
Difração de raios-X
Exemplo
2
<latexit sha1_base64="izH7sh/4XVQGMuGAooi+aK/gSXg=">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</latexit>

D E 2 X Z
2⇡ ~ 0
<latexit sha1_base64="gxDBQ3+oRvbo+BY72tsaFgyt9HA=">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</latexit>

<latexit sha1_base64="1QtYRT9U87m6ezMu0EIEnxlVbz8=">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</latexit>

~ ~ ~ xj ~ = ~ x0
0
(k ! k ) = k V̂ ~k E~k0 E~k / e iG·~ ~
fj (G) fj (G) 0
d~x e iG·~ 0
⇢j (~x )
~ célula unitária
j

<latexit sha1_base64="K1kNQoMq2p664EslFmV16m7jMnQ=">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</latexit>

X ~ xj
~ = ~ ~ ~
<latexit sha1_base64="F4130tdqWHC/R4i4dDRkiRWHdeg=">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</latexit>

iG·~ h+k+`
S(G) e fj (G) = fK (G) + ( 1)
+ fCl (G)
j

~ + fCl (G)
~
<latexit sha1_base64="B9rS9BWIGE14xy8s59FMaRbRzmQ=">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</latexit>

fK+ (G) , h + k + ` par


= ~ ~
fK+ (G) fCl (G) , h + k + ` ı́mpar

KCl (cloreto de potássio) Mas K+ e Cl- são isoeletrónicos, e por isso os seus fatores de forma são quase idênticos…
<latexit sha1_base64="iqOeSJayu5n0KarA5UxE9gqka4s=">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</latexit>

( 2
~ + fCl (G)
fK+ (G) ~ , h + k + ` par
(~k ! k ) /
~0
'0 , h + k + ` ı́mpar
Difração de raios-X
Ausênci s sistem tic s
2
<latexit sha1_base64="izH7sh/4XVQGMuGAooi+aK/gSXg=">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</latexit>

D E 2 X Z
2⇡ ~ 0
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<latexit sha1_base64="1QtYRT9U87m6ezMu0EIEnxlVbz8=">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</latexit>

~ ~ ~ xj ~ = ~ x0
0
(k ! k ) = k V̂ ~k E~k0 E~k / e iG·~ ~
fj (G) fj (G) 0
d~x e iG·~ 0
⇢j (~x )
~ célula unitária
j

<latexit sha1_base64="R70Ygk39OriIKGfoKHCV3akYXEM=">AAAB7nicbVDLSgNBEOyNrxhfUY9eBoPgQcKu+DoGvXiMYB6wWcLspJMMmZ1dZmaFsOQjvHhQxKvf482/cZLsQRNrGCiquunuChPBtXHdb6ewsrq2vlHcLG1t7+zulfcPmjpOFcMGi0Ws2iHVKLjEhuFGYDtRSKNQYCsc3U391hMqzWP5aMYJBhEdSN7njBortXz3zL6gW664VXcGsky8nFQgR71b/ur0YpZGKA0TVGvfcxMTZFQZzgROSp1UY0LZiA7Qt1TSCHWQzdadkBOr9Eg/VvZLQ2bq746MRlqPo9BWRtQM9aI3Ff/z/NT0b4KMyyQ1KNl8UD8VxMRkejvpcYXMiLEllCludyVsSBVlxiZUsiF4iycvk+Z51buqXj5cVGq3eRxFOIJjOAUPrqEG91CHBjAYwTO8wpuTOC/Ou/MxLy04ec8h/IHz+QOMlo5q</latexit>

[0, 0, 0]
Rede cúbica simples com motivo 
<latexit sha1_base64="dDK1I5uf6HiI6oN7r2KhMMsv6GM=">AAACGXicdZDLSsNAFIYn9VbrLerSzWARXEhJirdl0Y3LCvYCSSiT6aQdOrkwcyKUkNdw46u4caGIS135Nk7bLLTVHwY+/nMOZ87vJ4IrsKwvo7S0vLK6Vl6vbGxube+Yu3ttFaeSshaNRSy7PlFM8Ii1gINg3UQyEvqCdfzR9aTeuWdS8Ti6g3HCvJAMIh5wSkBbPdNyBQvAcQNJaGbnWT0/+YddyQdD8Hpm1apZU+FFsAuookLNnvnh9mOahiwCKohSjm0l4GVEAqeC5RU3VSwhdEQGzNEYkZApL5teluMj7fRxEEv9IsBT9+dERkKlxqGvO0MCQzVfm5h/1ZwUgksv41GSAovobFGQCgwxnsSE+1wyCmKsgVDJ9V8xHRIdBugwKzoEe/7kRWjXa/Z57ez2tNq4KuIoowN0iI6RjS5QA92gJmohih7QE3pBr8aj8Wy8Ge+z1pJRzOyjXzI+vwEkgqEH</latexit>

1 1 1
, ,
2 2 2

X
i(h~b1 +k~b2 +`~b3 )·( 12 ~
<latexit sha1_base64="YzYQd6CZP6XwgtfEpNyrNWgbHds=">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</latexit>

~ xj ~~
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~ = iG·~ ~ =e ~ +e iG· 0 a1 + 12 ~
a2 + 12 ~
a3 ) ~
Sódio (BCC) S(G) e fj (G) fNa (G) fNa (G)
j ⇣ ⌘
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~ 1 + e ⇡i(h+k+`)
= fNa (G)
Estão ausentes as re lexões nos
planos (hkℓ) para os quais a
~ 1 + ( 1)h+k+`
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= fNa (G)
soma dos índices é ímpar
a
f
á
a
Difração de raios-X
Qu se-crist is

Ho-Mg-Zn Al-Pd-Mn

“Cristais” ordenados, mas não periódicos…


O padrão pode preencher todo o espaço, mas não há simetria de translação
Dan Shechtman
Wolfgang Pauli: “There is no such thing as quasicrystals, only quasi-scientists.” Prémio Nobel da Química 2011
União Internacional de Cristalogra a (2014): um cristal é um material que exibe
um padrão de difração essencialmente discreto
a
a
fi
Partícula num potencial periódico 776 FREDERIKSE,

siderable problems. The basic conditions for observa-


tion of these effects are (see, e.g., Ref. 8)
ET AL.

arms several mm long which provided large areas for


the lead contacts. A set of three samples with the cur-
158

Determin ç o experiment l de m ss s efetiv s e estrutur s de b nd s


rent direction oriented along the (100), (110), and (111)
cocr> 1, (la) crystal axes were prepared from each boule. One of
THEthese
(lb) DEwas doped with niobium
HAAS-VAN ALPHEN (Nb-5),EFFECT
while the other 227 158 S H U B N I K O V - D E HA
and two received a hydrogen-reduction treatment (HR-49
EF>kT, acterizing the electrons (lc) and HR-51). Hall measurements indicated that all
incontained
bismuth which 18 produce the effect, and it is customary to plot the positions of the 1st, 2n
where samples 4 to 8X10 electrons per cc over • • •, nth extrenaum against the corresponding values o
6
o)6=eH/nicC, yielded more precise values. The fact that the number of electrons
Quando um cristal é colocado num campo magnético externo,
(Id) the entire temperature range. The mobilities at liquid- 9
helium temperatures varied from 1370 cm /V sec for 2 l / # , as shown in Fig/4. Beyond the first few leve
was much smaller than
r=collision time, sampleone pertoatom
HR-51 10 500 could2
cm /V sec beforinterpreted
sample Nb-5. as meaning (w=l,2) spin splitting gives rise only to a phase shi
10
2 Special care was taken to reduce the contact resistance 5. Furthermore, the Fermi energy EF [Eq. (le)] c
that just a very few toelectrons
EF= (h /2mD) (3TT%) / = Fermi energy, (le) overflowed from a nearly full Brillouin
2 3

algumas grandezas oscilam com o aumento deste campo


the lowest value attainable. By different "forming be calculated because wz> = 5m0,2'M1 and n is know
mc= cyclotron mass (in a plane JLH),
zone into the next processes" zone, itand in these
was possible to reducecircumstances
the contact resis- anomalous from measurements of the Hall coefficient;6'the numbe
w#=density-of-states effective mass, tance to a value of the order of the bulk resistance of of minima is assumed to be either 3 or 6. The cyclotro
effective masses
n= concentration of charge carriers,
are to
the be
specimen expected.
in each case. frequency is given by Eq. (Id), and hence
A total of six runs were made. Samples were immersed
H== magnetic field, in liquid helium and placed in the magnetic field with A(l/H)=(eh/mc)(l/EF). (3

Susceptibilidade
and the current J\\H. During the last run a (110) sample was
c= velocity of light. rotated in the magnetic field such that one could
These conditions nearly always require that experi- observe the magnetoresistance with ZI)|(110), 2J||(111),

magnética
ments be conducted at low temperatures and in high as well as with #||(001). In the latter case the nonoscil-
magnetic fields. In the case of SrTi0 3 , the require- latory part was largely subtracted through application
ments are particularly difficult to satisfy experi- of a (linear) bucking voltage. Resistances were measured
mentally because of the large effective masses (MD= 5mo using a nanovoltmeter and the result plotted versus
and mc>mo). It will be shown that the very intense the magnetic field on an %-y recorder (0-150 kOe in
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and steady magnetic fields up to ISO kOe produced by 3 min). M (H)


158
(H) ⌘
an air-core solenoid at the Naval Research Laboratory Experiments at 4.2°K showed only weak oscillations; S H U B N I K O V - D E HAAS E F F E C T IN SrTiO,
were essential to the success of this undertaking. besides, the thermal conductivity of the liquid helium
The calculation referred to above1 predicted energy above the X point was too small to carry away itthe
surfaces in SrTi0 3 similar to those of silicon: a set of generated at the contacts. Hence most measurements
3 or 6 ellipsoids of revolution with axes directed along were made at 1.4 or 1.5°K up to 2.1°K.
is heat
customary to plot the positions of the 1st, 2nd,
• • •, nth extrenaum against the corresponding values of
l / # , as shown in Fig/4. 9 Beyond the first few levels
H
the (100) axes in the Brillouin zone. [Crystal structure: (w=l,2) spin splitting gives rise only to a phase shift
Fig. zone
1. isThe de Haaa-van Alphen effectAND in bismuth 1. The field
5. 10
H is perpen-
Furthermore, the Fermi energy EF [Eq. (le)] can

Efeito de De Haas–Van Alphen


cubic O^iPntSm); the Brillouin a simple cube.] RESULTS DISCUSSION
The transverse mass mt dicular to the
at Z 3 should trigonal
be about l^o, axis. x is the ratio of magnetization
Some of the recorder tracings are shown in from
be calculated
per because
gram
Figs.measurements
1, to wz>
H = 5m0,2'M1 and n is known
.
of the Hall coefficient;6'the number
while the longitudinal mass mi was estimated to be 56.8 85.2
2, and 3. Because maxima and minima will occur is assumed to be either 3 or 6. The cyclotron
of minima
(20-50)^0. Plasma edge measurements by Barker3 H(kOe)
Such of mtsmall that whenever
pieces
frequency is given by Eq. (Id), and hence
5 of Fermi surface of high curvature containing
confirm the order of magnitude (assuming
tft£%>tnt). Low-field magnetoresistance experiments EF= (n+i)fmc±h^= (n+i-kd)fmc, (2) A(l/H)=(eh/mc)(l/EF). FIG. (3)
2. Oscillatory magnetoresistance of Nb-doped SrTiC>3
small numbers of
indicate that the geometry of the ellipsoids is indeed electrons (or holes) should occur in any multivalent at 1.4°K. / and #||(110).
like that of Si; however, mh although quite large,
metal
10wo. and a system'atic investigation of "-the 1magnetic behaviour of
<100> <110>
i'""""] i
appears to be smaller than * 1 * J 1

<111>
The purpose of the otherpresent metals 3, did
experiments'3-1was to indeed show that the de Haas-van Alphen effect
investigate whether the magnetoresistance of SrTi0 3 M>5
occurred in nearly
showed an oscillatory behavior in magnetic fields of every — » multivalent
Hll<0<> metal examined, and was not,
Condutividade

(ARBITRARY UNITS
T=I.43°K

Angle Resolved Photo-Electron Spectroscopy (ARPES)


100 or 150 kOe, and whetheras seemed at one
the results could time possible, an effect characteristic only of bismuth.
be inter-
preted in terms of the suggested energy-band picture 10 14 18 22
Some ofof energy
assuming quadratic dependence the richon wave variety of features found in the various metals is 6
I0 /H (Oe)"1

elétrica
vector throughout.
illustrated in Fig. 2 ; leaving aside for the moment any detailed FIG. 4. The "oscillation number" n (integer or half-in
a function of the reciprocal magnetic field. Maxima: A,
•5- • , #l|<110); X, #11(111). Minima: V, #||<100); o,
discussion of the curves, the important point to be made here is that
EXPERIMENTAL DETAILS <3 +, #11(111).
Samples used in thesethe number
experiments were of
cut electrons
from concerned is always small-at most
several monocrystalline boules of SrTi0 3 using an Each period leads directly to a cyclotron re
ultrasonic device and a per atom-and the effectivei mass r Jis always _ _ L -In
Llow. . J fact it follows 35.8
mass mc63.5 91.1This quantity
118.8 146.4

Medindo a energia cinética dos foto-eletrões e a sua direção de


diamond saw. The specimens y i L_i [Eq. (3)]. can be expre
3
were rectangularly shaped (IXIX10 mm ) with side
28.4 56.8 85.2 113.6 142.0 56.8 85.2 H(kOe)- and logitudinal masses
terms of the transverse
from Landau's formula that if the number of electrons is much
H(k0e)- H(kOe)
mi depending on the orientation of the energy
FIG. 3. Oscillatory magnetoresistance of Nb-doped SrTi03

Efeito de Shubnikov–De Haas


higher than per atom, the atperiod the oscillations at fields
ofF||<100>. at 1.4°K. of
8 FIG. 1. Oscillatory magnetoresistance of Nb-doped SrTiOs
H. P. R. Frederikse and W. R. Hosier, Phys. Rev. 110, 880 FIG. 2. Oscillatory magnetoresistance of Nb-doped SrTiC>3 andat the direction
7||(110)ofand
# . #||(111).
The largest period an

ejeção é possível obter informação sobre ϵn(k)⃗ e a super ície de


(1958). L43°K. I and / and #||(110).
1.5°K.
the smallest mc will be observed for the smalle
say 20 kG would become so small that resolution would be very section of the spheriods perpendicular to # . This
Values of A (1/27)
the (100)for direction
three samples are listedhave
if the spheroids in Table
their
difficult, and also that if the effective electron mass was as great as The first column,
dimensionlabeled
alongNb-S, refers
the (100) toSimilalry,
axes. rotation oneof th
fi

Fermi, sobretudo em materiais uni ou bi-dimensionais O período das oscilações é inversamente proporcional
the true electron mass, the amplitude at 20 kG would be much (110) samplelargest
in periods
the for
magnetic (110) spheriods
field, while when
the #||(11
secon
reduced, even at 1" K, thus making observations very difficult. Thus Nb-S columnforcontains
(111) spheroids
data fromwhenthree
#||(111). The results
different sample o
I indicate that the case of (100) spheroids applie
((100), (110), and (111)). The areagreement from when
samp#
it is clear that measurements of de Haas-van Alphen effect at sequently two periods being observed

à área da órbita na super ície de Fermi


to sample is or of#||(110)
the order andof 10%
one or for
period better.
# in the (111) di
ordinary fields-say up to 20 kG-can give information only about In this case the different tnc's are related to
9 A. H. Kahn and H. P. R. Frederikse, Solid State Phys.
swZl overlap regions of the Fermi surface -what might loosely be 257 (1959). mi in the following manner:
io M. H. Cohen and E. I. Blount, Phil. Mag. 5, 115 (1960 £T|| 100 mc=mt
a
ã
f
a
a
a
f
a
a
a
a

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