SMES 3203 SOLID STATE PHYSICS (3 CREDITS)

References:

1. Introduction to Solid State Physics C. Kittel (John Wiley)

2. Elementary Solid State Physics M.A. Omar (Addison Wesley)
3. Solid State Physics J.S. Blakemore (Saunders)
4. Fundamental of Solid State Physics J. Richard Christman (John Wiley)
5. Waves, Atoms & Solids D.A. Davies (Longman)
6. Solid State Physics C.M. Kachhava (McGraw Hill)
7. Elements of Solid State Physics M.N. Rudden and J. Wilson (John Wiley)

1. Crystal Structure
1.1 Periodicity of Crystal
Solid material classified into 2 basic groups: crystalline and amorphous
amorphous shows short range ordering in its nearest neighbour bonds
eg. polymerized plastics, carbon blacks
crystalline shows long range ordering
atomic arrangement regularly repeated
position is exactly periodic
eg sodium chloride, diamond, silicon

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 perfect crystal is periodic from - to + along the x and y directions
if crystal is translated by any vector R, the crystal appears exactly the same
as it did before the translation ie crystal remains invariant under any
translation
R : translational vector
Rn = n1a + n2b 2-D
Rn = n1a + n2b + n3c 3-D

n1, n2, n3 - arbitrary integers

a, b, c - basis vector, form 3 adjacent edges of a parallelepiped
- not necessary orthogonal

crystal lattice
geometrical pattern which represents the positions of every atoms
divided into 2 classes
Bravais lattice
non-Bravais lattice

Bravais lattice
all lattice points equivalent
that is all atoms in the crystal of the same type

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non-Bravais lattice
mixture of 2 or more interpenetrating Bravais lattices
A and A are not equivalent since lattice is not invariant (variant) under
translation by AA although A and A are of the same kind
eg. : A and A, B and B, C and C
non-Bravais lattice also referred to as a lattice with a basis
regarded as a combination of 2 or more interpenetrating Bravais lattices with
fixed orientations relative to each other

example: A, B, C form one Bravais lattice and A, B, C .. form

another Bravais lattice

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basis vector

position vector of any lattice point : Rn = n1a + n2b

D : (0,2) B : (1,0) F : (0,-1)

a and b form a set of basis vectors for the lattice
positions of all lattice points can be expressed by Rn = n1a + n2b
set of all vectors expressed by Rn = n1a + n2b called lattice vectors
choice of basis vectors is by convenience
a and b (=a + b) can be chosen as a basis

unit cell
2-D : area of parallelogram whose sides are basis vectors a and b
S= a x b
: area S of parallelogram whose sides are vectors a and b
S= a x (a +b) = a x b = S

3-D : volume of parallelepiped whose sides are basis vectors a, b and c

V= a . b x c

primitive unit cell

same area/volume although different shape
contains 1 lattice point
minimum area/volum

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non-primitive unit cell
area is multiple of area of primitive unit cell

S1 1 lattice point
S2 2 lattice points
area of S2 = 2 x area of S1
use of non-primitive cell S2 shows rectangular symmetry

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Wigner-Seitz primitive cell
(i) draw lines to connect a given lattice point to all nearby lattice points
(ii) at the midpoint and normal to these lines, draw new lines or planes
lines 2D
planes 3D
(iii) smallest area/volume enclosed Wigner-Seitz primitive cell

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1.2 Crystal Symmetry
inversion centre
cell has an inversion centre if there is a point at which the cell remains
invariant when a mathematical transformation r -r is performed on it
for every lattice vector Rn = n1a + n2b + n3c there is an associated lattice
vector Rn = -n1a - n2b - n3c
all Bravais lattices have an inversion centre
non-Bravais lattices may or may not have an inversion centre depending on
the symmetry of the basis

reflection plane
plane in a cell such that when a mirror reflection in this plane is performed,
the cell remains invariant
example:
cubic - 9 reflection planes : 3 parallel to the faces, 6 each of which passes
through 2 opposite edges

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rotation axis
axis such that if the cell is rotated around it through some angle, the cell
remains invariant
2
axis called n-fold if the rotation angle is
n
example:
cubic - has three 4-fold axes normal to the faces : A1 becomes A2
- has four 3-fold axes each passing through two opposite corners :
A1 becomes A3
- has six 2-fold axes joining the centres of opposite edges : A1
becomes A4

rotation-reflection axes, glide planes etc complicated elements of

symmetry

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1.3 Lattices
7 crystal system
can be divided into 14 Bravais lattices

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1 - 10
primitive cell of the body-centred cubic lattice

bcc - 2 lattice points

primitive cell
rhombohedral (trigonal)
1
edge 3a
2
angle between adjacent edge = 109o 28

primitive translation vectors vector from origin to lattice point at the centre

a1
a
x y z
2

a2
a
x y z
2

a3
a
x y z
2

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 or vector from cube centre to 3 neighbouring corners

a
L
x y z
2

b
L
x y z
2

c
L
x y z
2

x
z

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primitive cell of the face-centred cubic lattice
rhombohedral a1 = a 2 = a 3
90o

primitive translation vectors

a1
a
y z
2

a2
a
z x
2

a3
a
x y
2

angle between primitive vectors = 60o

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characteristics of cubic lattice
simple bcc fcc
volume of conventional cell a3 a3 a3
lattice points per cell 1 2 4
volume of primitive cell a3 a3/2 a3/4
lattice points per unit volume 1/a3 2/a3 4/a3
no. of nearest neighbour 6 8 12
nearest neighbour distance a 0.886a 0.707a
no. of second nearest neighbour 12 6 6
second nearest neighbour distance a2 a a

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1.4 Position, Direction and Crystal Plane
special configuration used to identify
points in a unit cell
direction along line through a lattice point
plane through a lattice point
position vector of points and vector parallel to the line is written
as linear combinations of basis lattice vector
coefficients used to identify points or lines
orientation of plane is determined by vector perpendicular to the plane

1.4.1 Location in a Cell

position vector r of points in a cell relative to the cell corners is written as
r = ua + vb + wc
u, v, w = number whose magnitude is less or equal to 1
point identified by giving 3 numbers uvw written without commas between
them

example: centre of parallelepiped

1 1 1
position vector r a b c
2 2 2

111
index of point
222

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1.4.2 Crystal Directions
indices u, v, w chosen so that ua+vb+wc is in direction of the line
written as [uvw]
ve indices written with a bar over the number
[u v w ] is opposite in direction with [u v w ]

directions usually considered line passing through a lattice point

direction given in integer indices because line is parallel to a lattice vector
integer chosen as the smallest magnitude
example: [422] is the same as [211]
direction of any line in lattice can be obtained by first drawing a line through
origin parallel to given line and determine coordinate of any point on the
line passing through origin
set of equivalent directions are written in the form of uvw

example: [100], [010], [001], [ 1 00], [0 1 0], [00 1 ] 100

1.4.3 Lattice Plane

crystal planes are described by Miller indices

Consider a general 3-D lattice

primitive translation vectors a, b, c are different
90o

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 n1, n2, and n3 are fraction multiple or integer multiple of a, b, and c
respectively
1 1 1
ABC is call (hkl) plane where h:k :l : :
n1 n 2 n 3

h, k, l is the set of the smallest integers that satisfy above ratio

(hkl) - h indicate that (hkl) plane cuts the a-axis on the negative side of
origin
symbol {hkl} denote all planes equivalent to (hkl) by symmetry
examples: {100} indicates the planes (100), (010), (001), (100) , (010) and

(001)

(100) plane parallel with b and c

1 1
n1 x h x 1
x x
1 1
n2 k x 0

1 1
n3 l x 0

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(110) plane
n1 1 h=1

n2 1 k=1
n3 l=0

(222) plane
1
n1 h=2
2
1
n2 k=2
2
1
n3 l=2
2

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hexagonal crystal a different system used to denote planes

(hkil) where h+k = -i

Intercept on: axis a1 is n1
axis a2 is n2
axis a3 is n3
axis c is n4

For example: (1011) plane

n1 1 h=1

n2 k=0
n3 1 i = -1

n4 1 l=1

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1.4.4 Distance between Planes
formula depends on crystal structure
dhkl = interplanar distance between planes labelled by the same Miller indices

Consider case for orthogonal axes

x
dhkl

Visualize another plane parallel to plane P and passing through origin

dhkl = the length of the normal line drawn from origin to the plane P

angle between normal and x-axis =

angle between normal and y-axis =

angle between normal and z-axis =

intercepts of plane (hkl) with axes = x, y and z

dhkl x cos y cos z cos

but cos2 cos2 cos2 1

2 2 2
dhkl dhkl dhkl
1
x y z

1
dhkl 1
1 1 1 2
2 2 2
x y z

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x=n1a y=n2b z=n3c
a, b, c primitive translational vectors

1 a
h
n1 x

1 b
k
n2 y

1 c
l
n3 z

1
dhkl 1
h2 k 2 l2 2
2 2 2
a b c

a
for a cubic system : a=b=c dhkl 1
(h 2 k 2 l 2 ) 2

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1.5 Crystal Structure
1.5.1 Examples of Simple Crystal Structures
The Sodium Chloride Structure

composed of 2 interpenetrating Na fcc lattice and Cl fcc lattice displaced

from each other by one-half of a cube diagonal
non-Bravais lattice
Bravais lattice : fcc
basis : 1 Na atom 000
111
1 Cl atom
222
there are 4 units of NaCl in each unit cube at positions:

111 1 1 1
Cl : , 00 , 0 0 , 00
222 2 2 2

11 1 1 11
Na : 000 , 0 , 0 , 0
22 2 2 22
coordination number number of nearest neighbour
each atom has 6 atoms of the opposite kind as its nearest neighbour

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 coordination number = 6

a = 5.63 A
examples : LiH, KCl, PbS, AgBr, MgO, MnO, KBr

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The Cesium Chloride Structure

composed of 2 interpenetrating Cs simple cubic(sc) lattice and Cl sc

lattice displaced relative to each other by one-half the diagonal
non-Bravais lattice
Bravais lattice simple cubic
position of atoms in simple cubic lattice
111
000 : corner : body-centred
222
basis : 1 Cs atom 000
111
1 Cl atom
222
1 molecule in every primitive cell (rhombohedron)
every atom is at the centre of a cube of atoms of the opposite kind
coordination number = 8

a = 4.11 A
examples: TlBr, AlNi, NH4Cl, LiHg

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The Diamond Structure

1
2 interpenetrating fcc lattices displaced from each other by of the cube
4
diagonal distance
Bravais lattice fcc
basis : 1 atom 000
111
1 atom
444
each atom has 4 nearest atoms which forms a tetrahedron
8 atoms in conventional unit cube
11 1 1 11
000 , 0 , 0 , 0 000 + face translation
22 2 2 22

111 331 313 133 111

, , , + face translation
444 444 444 444 444

volume occupied by atoms = 0.34

a = 5.43 A
examples: : carbon, silicon, germanium

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The Zinc Sulfide (zinc blend) structure

diamond structure but atoms of different kind

11 1 1 11
Zn : 000, 0 , 0 , 0
22 2 2 22

111 331 313 133

S: , , ,
444 444 444 444

4 ZnS molecules in conventional cell

a = 5.41 A
examples : CuF, CuCl, AgI, CdS

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The Hexagon Structure

layer 1 position A
layer 2 position B
layer 3 position C

pattern AAAAAA simple hexagon

pattern ABABAB or ACACAC hexagonal closed-packed, hcp
pattern ABCABCABC cubic closed-packed, fcc
or ACBACBACB

hcp has the primitive cell of hexagonal lattice

211
basis 2 atom at 000 and
332

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 2 1 1
r a b c
3 3 2

coordination number = 12
c
for hcp = 1.633
a
examples: He 1.633 Zn 1.861
Be 1.581 Cd 1.886

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1.5.2 Atomic Filling Factor

Atomic Filling Factor = Volume of space occupied by atoms in a unit cell

Volume of unit cell

Simple Cubic
1
Number of atoms per unit cell = 8 1
8
R = radius of atom
Volume of unit cell = (2R)3
4
R 3
FF= 3 3 = 0.52 = 52%
2R

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Body-Centred Cubic

1
Number of atoms per unit cell = 8 1 2
8
R = radius of atom
AB2 = BC2 +,AC2
AC2 = a2 + a2 = 2a2
AB2 = a2 + 2a2
(4R)2 = 3a2
16R 2
a2
3
4
a R
3
3
4 64 3
Volume of unit cell = a =
3
R R
3 3 3

4
2R 3
3 3
FF = = 0.68 = 68%
64 3 8
R
3 3

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body centred cubic

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Face-Centred Cubic

1 1
Number of atoms per unit cell = 8 6 1 3 4
8 2
R = radius of atom
(4R)2 = a2 + a2
a2 = 8R2
a 2 2R

Volume of unit cell = a3 = 2 2R
3
16 2R 3
4
4 R 3
3
FF = = 0.74

2 2R
3
3 2

= 74%

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Simple Hexagon

spheres in contact with each other, if not the lattice will collapse
both layers must be touching
1 1 1 1
number of atoms in the unit cell = 6 6 1 1 1 3
6 6 2 2
R = radius of atom
a = 2R
c = 2R = height
Volume of unit cell = area of cross-section x height
1

= 6 2R 2R sin60 2R
2

= 12 3R 3

4
3 R 3
3
FF = 3
= 0.605
12 3R 3 3
= 60.5%

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