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1.

LATTICES

Pd

ai is the primitive direct lattice vector R = i ai ni , d is the dimension, ni Z.

bi is the primitive reciprocal lattice vector ai bj = 2ij , or

b1 = 2

a2 a3

a1 (a2 a3 )

b2 = 2

a3 a1

a1 (a2 a3 )

b3 = 2

a1 a2

a1 (a2 a3 )

Three dimensional Bravais Lattices:

2.

DIFFRACTION

the incident wave and the wavelength.

P

iGdi

The structure factor SG =

, with di the basis vectors, fi (G) the atomic form factor

i fi e

R

2

1

iGr

fi (G) = e r i (r)e

. The intensity is I |SG | .

2

3.

COHESIVE ENERGY

12

6

u = 2 A12

+ A6

r

r

X 1

An =

n

|R|

R6=0

(1)j

j |rj /d| .

4.

PHONONS

U Harmonic =

1 X

2

[u (R1 ) u (R2 )]

R1 ,R2 ,=x,y,z

2 (r)

[u (R1 ) u (R2 )]

r r

= u(R)

, with periodic boundary conditions we seek solution of the form

ikRit

u=e

, the polarization vector.

= M 2 u. For oscillation in d dimensions of p atoms in a unit cell, there are

d acoustic branches and (p 1)d optical branches.

The specific heat

Z

dk

X

~s (k)

cV =

T s F BZ (2)3 e~s (k) 1

Specific heat in low temperature, cV =

Lattice energy is U =

2 2 kB

5

kB T 3

,

~c

with 1/c3 the angular average of the velocity speed 1/c3s (k).

d3 k

(2)3

= g()d.

In an alternative form

g() =

XZ

s

X

d2 k

( k ) =

3

(2)

s

d2 k (k k())

(2)3 |s (k)|

Debye model replaces all branches with the acoustic branches, each branch has linear dispersion, = ck, in addition

the integral over FBZ is replaced by an integral over a sphere (circle in two dimensions) of radius kD . Debye

temperature is D = ~D /kB = ~ckD /kB .

Einstein model replaces the frequency of each optical branch by E , a constant in k.

3

5.

ELECTRONS

The Drude conductivity is = ne2 /m, with n the number of electron per unit volume, and the mean free time.

The equation of motion for the momentum in Drude theory is

p

dp

p

= e E +

H

dt

mc

2

The cyclotron frequency is c = eH

mc , the plasma frequency is p =

conductivity tensor is defined by j = E.

4ne2

m

ne

m p,

and the

f () =

1

e~ +1

Fermi-Dirac

Bose-Einstein

e~ 1

Z

H(x)dx +

H(x)f (x)dx =

2

7 4

(kB T )2 H 0 () +

(kB T )4 H 000 () + . . .

6

360

g (F )

(kB T )2

6 g(F )

2

g(F )(kB T )2

u = u0 +

6

= F

g() = n()

.

u

T

2 2

3 kB T g(F ),

Bloch theorem (r + R) = eikR (r), electron velocity in energy En (k): vn (k) = ~1 k En (k).

Effective mass tensor

1 2 (k)

1

=

mi,j

~2 ki kj

i, j = x, y, z

dk

Therefore, m dv

dt = ~ dt

0kG ckG +

G0

where UG =

1

vp.u.c

R

p.u.c

U (r)eiGr dr are the Fourier components of the potential, p.u.c = primitive unit cell. the

ckG are the Fourier components of the wave function and 0kG =

For a weak potential, near a couple of degenerate states

1

= (0k + 0kG )

2

0k 0kG

2

+ |Uk |

1/2

~

2m (k

4

Far from degenerate states

2

k = 0k +

X

G

|UG |

0k 0kG

(k) = Es

(R) cos kR

Z

Z

(R) = dr (r)U (r)(r R)

6.

Constants:

1.054 1034 [J s]

1.38 1023 [J/K]

6.022 1023 [1/mole]

9.11 1031 [kg]

1.6 1019 [C]

=

=

=

=

=

~

kB

NA

me

e

Integrals:

Z

0

Z

Z

0

A

lim

A0

Z

0

Z

Z

0

A

lim

A0

x4 e x

4 2

dx =

2

1)

15

(ex

x4 e x

dx 0.32

(ex 1)2

x4 e x

A3

dx

=

(ex 1)2

3

x3 e x

dx = 6(3) 7.2

(ex 1)2

x4 e x

7 4

dx

=

(ex + 1)2

30

x4 e x

dx 0.042

+ 1)2

(ex

x4 e x

A5

dx

=

(ex + 1)2

20

x 2

a

y 2

b

=1 ,

A = ab

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