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Chng 1 1. Cu to v lin kt nguyn t

Cu trc tinh th ca vt liu a) Cu to nguyn t
Nguyn t = ht nhn + electron = (Notron + Proton) + electron

Cc trng thi vt cht:

1. Trng thi rn (Cht rn)
2. Trng thi lng
3. Trng thi kh
4. Trng thi plasma

Tnh cht ca cht c xc nh b) Cc dng lin kt nguyn t trong cht rn

bi thnh phn nguyn t cng - Lin kt cng ha tr;
nh cu trc ca n. - Lin kt ion;
- Lin kt kim loi;
- Lin kt hn hp;
Hnh 1: S chuyn ha ca cc trng thi - Lin kt yu (Van der Waals)
vt cht khc nhau

2. Sp xp nguyn t trong vt cht 2. Sp xp nguyn t trong vt cht

Vt cht tn ti 4 trng c bn:
2.1 Trng thi rn (Cht rn)
a) Cht rn tinh th: C trt t gn, m cn c trt t xa
+ Cht rn a tinh th: gm nhiu tinh th nh kt hp mt cch
+ Cht rn n tinh th: Ch gm mt tinh th duy nht
b) Cht rn v nh hnh: Ging cht lng
2.2 Trng thi lng: c cht t gn m khng c cht t xa
2.3 Trng thi kh: (khng c trt t hon ton) c s sp xp nguyn t
mt cch hn lon khng c hnh dng kch thc xc nh
2.4 Trng thi plasma (b ion ha mnh)
hn n Tnh cht ca cht c xc nh bi thnh phn nguyn t
cng nh cu trc ca n.

Cu trc v nh hnh Cu trc a tinh th Cu trc n tinh th

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3. Khi nim mng tinh th 3. Khi nim mng tinh th

a) nh ngha: b) c s: l mng tinh th nh nht m bng cch tnh tin n theo hng
ca ba trc tinh th ta c th thu c ton b tinh th
Mng tinh th (cu trc tinh th): l mng li khng gian ba chiu trong cc
nt mng l cc n v cu trc (nguyn t, ion, phn t) - Mi c s c c trng bi cc thng s:
- Tinh th kim loi 1. Hng s mng: a, b, c, , ,
- Tinh th ion 2. S n v cu trc (nguyn/ions): n
- Tinh th nguyn t (hay tinh th cng ha tr) 3. S phi tr
- Tinh th phn t 4. Mt xp: theo ng, theo mt, trong ton b th tch

Nt mng:[[ x,y,z]] c

(a) c s Mng li tinh th

c s

e) Ch s Miller (hkl) ca mt tinh th

3. Khi nim mng tinh th Mt tinh th l tp hp cc mt c cch sp xp nguyn t ging ht nhau,
c) Nt mng [[x, y, z]]: song song v cch u nhau, chng c cng mt k hiu. K hiu mt bng
ch s Miller (h k l).
Nt mng tng ng vi v tr cc nguyn t/ions trong mng tinh th.
Cc ch s h, k, l c xc nh theo cc bc sau:
b) Ch s phng [u v w]:
- Tm giao im ca mt phng trn ba trc theo th t Ox, Oy, Oz
Phng l ng thng i qua cc nt mng c k hiu bng [u v w]; - Xc nh ta giao im, ri ly cc gi tr nghc o
ba ch s u, v, w l ba s nguyn t l thun vi ta ca nt mng nm
- Quy ng mu s, ly cc gi tr t s, chnh l cc ch s h, k ,l
trn phng gn gc ta nht.
- Nhng phng song song nhng c tnh cht ging nhau to thnh h f) Ch s Miller-Bravais trong h lc gic
phng; k hiu [uvw] Ch s Miller-Bravais vi h bn trc ta Ox, Oy, Ou, Oz k hiu l
- Nhng phng c gi tr tuyt i u v w ging nhau to thnh h (h k i l), trong :
phng; k hiu <uvw> i = - (h + k)

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7 H TINH TH V 14 KIU MNG BARAVAIS

LP PHNG
4 Cu trc in hnh ca cht rn
4.1 Cht rn c lin kt kim loi
a) Lp phng tm khi
BN PHNG

TRC THOI

SU PHNG BA PHNG

MT NGHING - S nguyn t trong c s: n = 1/8x8 + 1 = 2 nguyn t

- S phi tr: K = 8
- Mt xp th tch trong c s: Mv = nv/V = 68%
- ng knh nguyn t: dng.t = 2r = a 3 /2
BA NGHING - C 2 loi l hng:
+ L hng khi 8 mt c kch thc 0.154dng.t (s lng l hng 6/ c s)
+ L hng khi 4 mt c khch thc 0.221dng.t (s lng l hng 12/ c s)

4.1 Cht rn c lin kt kim loi 4.1 Cht rn c lin kt kim loi
b) Lp phng tm mt-A1 c) Lc gic xp cht-A3

- S nguyn t trong c s: n = 1/8x8 + 1/2x6 = 4 nguyn t - S nguyn t trong c s: n = 1/6x12 + 1/2x2 + 3 = 6 nguyn t
- S phi tr: K = 12 - S phi tr: K = 12
- Mt xp th tch trong c s: Mv = nv/V = 74% - Mt xp th tch trong c s: Mv = nv/V = 74%
- ng knh nguyn t: dng.t = 2r = a 2 /2 - ng knh nguyn t: dng.t = 2r = a
- C 2 loi l hng: - C 2 loi l hng:
+ L hng khi 8 mt c kch thc 0.41dng.t (s lng l hng 4/ c s) + L hng khi 8 (s lng l hng 6/ c s)
+ L hng khi 4 mt c khch thc 0.225dng.t (s lng l hng 8/ c s) + L hng khi 4 (s lng l hng 12/ c s)

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4.2 Cht rn c lin kt cng ha tr 4.2 Cht rn c lin kt cng ha tr

a) Mng kim cng-A4 b) Mng graphit, si cacbon v fulleren
(a)
(b)

(c)

Cu trc ca Graphit (a), Si cacbon v Fulleren (c)

4.2 Cht rn c lin kt cng ha tr 4.2 Cht rn c lin kt cng ha tr

c) Cht rn c lin kt cng ha tr khc a) Mng tinh th hp cht dng MX: NaCl, CsCl

Mng tinh th ca SiO2

S ions Cl- trong mt c s l: 8x1/8 + S ions Cl- trong mt c s l:

6x1/2 = 4 8x1/8 = 1
S ions Na+ trong mt c s l: 12x1/4 + 1 S ions Cs+ trong mt c s l: 1
=4 S ions trong mt c s l: 1Cs+ +
S ions trong mt c s: 1Cl-
4Na+ + 4Cl- S phn t CsCl trong mt c s l
S phn t NaCl trong mt c s l n = 4 n =1

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4.2 Cht rn c lin kt cng ha tr

b) Mng tinh th hp cht dng MX2: (hoc M2X): CaF2
Tnh cht quan trng ca c s

Kiu mng SC BCC FCC HCP

Mi quan h gia bn knh
3a 4r 2 a 4r a 2r
nguyn t (r) v hng s mng a = 2r
(a)
S nguyn t trong c s 1 2 4 6
S phi tr 6 8 12 12
H s sp cht (Mt th
S ions Ca2+ trong mt c s l: 8x1/8 + 6x1/2 = 4 0.52 0.68 0.74 0.74
tch)
S ions F- trong mt c s l: 8
S ions trong mt c s: 4Ca2+ + 8F-
S phn t CaF2 trong mt c s l n = 4

Mt s cng thc quan trng V d

A = 52.00 g/mol
1. Ty trng l thuyt: R = 0.125 nm
3a S nguyn t trong c s:
nA R
= R n=2
VC NA
R a NA = 6.023 x 1023 atoms/mol
R
Trong : n = s nguyn t/ions trong mng c s
A = khi lng nguyn t (g/mol) 2a
R
VC = Th tch ca c s (= a3 cho mng lp phng) a
NA = S Avogadro = 6.023 x 1023 atoms/mol Chiu di ca phng xp cht:
l = 4R = 3 a a= 0.2887 nm
V d:
Nguyn t Cr c cu trc lp phng tm khi, tnh t trng theo l Ty trng theo l thuyt cu Cr l:
thuyt ca Cr, cho bit:
Khi lng nguyn t ca Cr l 52 g/mol n A = 2x52 = 7.178 g/cm3
=
S NA = 6.023x1023 nguyn t/mol VC NA (0.2887nm)3x 6.023 x 1023
Bn knh nguyn t ca Cr l R = 0.125 nm

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2. Mt xp theo th tch trong c s:

Crystallographic Planesz
Mv = v/V
example a b c
Trong v: th tch chim ch ca nguyn t/ion c trong c s
1. Intercepts 1 1 c
V: th tch ca c s
2. Reciprocals 1/1 1/1 1/
1 1 0
3. Mt xp theo mt trong c s: 3. Reduction 1 1 0 y
a b
4. Miller Indices (110)
Ms = s/S x
Trong s: tng s din tch nguyn t/ions theo mt ang xt z
example a b c
S: din tch mt ang xt 1. Intercepts 1/2 c
2. Reciprocals 1/ 1/ 1/
2 0 0
4. Mt xp theo phng trong c s: 3. Reduction 2 0 0
y
Ml = l/L 4. Miller Indices (100) a b
Trong l: tng chiu di ca nguyn t/ions theo phng ang xt x
L: tng chiu di ang xt

Crystallographic Planes Family of Planes

z
Planes that are crystallographically equivalent
example a b c c
1. Intercepts 1/2 1 3/4
have the same atomic packing.
2. Reciprocals 1/ 1/1 1/ Also, in cubic systems only, planes having the
2 1 4/3 y
a

b same indices, regardless of order and sign, are
3. Reduction 6 3 4
x equivalent.
4. Miller Indices (634)
Ex: {111}
_ _ _ ___ __ _ _ __
Family of Planes {hkl} = (111), (111), (111), (111), (111), (111), (111), (111)

Ex: {100} = (100), (010), (001), (100), (010), (001) Ex: {100} = (100), (010), (001), (100), (010), (001)
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Family of planes{110} Example-1

Axis X Y Z
Intercept
points 1
Reciprocals 1/1 1/ 1/
Smallest
Ratio 1 0 0

Miller ndices (100)

(1,0,0)

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Example-2 Example-3

Axis X Y Z Axis X Y Z
(0,0,1)
Intercept Intercept
points 1 1 points 1 1 1
Reciprocals 1/1 1/ 1 1/ Reciprocals 1/1 1/ 1 1/ 1
Smallest Smallest
Ratio 1 1 0 (0,1,0) Ratio 1 1 1
(0,1,0)
Miller ndices (110) (1,0,0) Miller ndices (111)
(1,0,0)

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Crystallographic Planes (HCP)

Example-4 In hexagonal unit cells the same idea is used
z

Axis X Y Z example a1 a2 a3 c
1. Intercepts 1 -1 1
Intercept 2. Reciprocals 1 1/ -1 1
points 1/2 1 a2
1 0 -1 1
Reciprocals 1/() 1/ 1 1/ 3. Reduction 1 0 -1 1
Smallest a3
(0,1,0) Ratio 2 1 0
4. Miller-Bravais Indices (1011) a1
(1/2, 0, 0)
Adapted from Fig. 3.8(a), Callister 7e.
Miller ndices (210)

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Crystallographic Directions
Miller Indices
z Algorithm
1. Vector is repositioned (if necessary) to pass
[2,3,3] Plane intercepts axes at3a , 2b , 2c
through the Unit Cell origin.
2 1 1 1
Reciprocal numbers are: , , 2. Read off line projections (to principal axes of
3 2 2 U.C.) in terms of unit cell dimensions a, b, and c
c
b Indices of the plane (Miller): (2,3,3) y 3. Adjust to smallest integer values
2 4. Enclose in square brackets, no commas
a Indices of the direction: [2,3,3] [uvw]
x
3
Z Z Z

ex: 1, 0, => 2, 0, 1 => [ 201 ]

Y Y Y
-1, 1, 1 => [111 ] where overbar represents a
negative index
X X X
(200) (100) (110) (111) (100) families of directions <uvw>
31

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What is this Direction ?????

x y z
a/2 b 0c
Projections:
Projections in terms of a,b and c: 1/2 1 0
Reduction: 1 2 0
Enclosure [brackets] [120]