Solid State Physics

Solid State Physics Unit cell

Lattice Unit cell is the smallest volume which when repeated in all
A crystal is periodic repetition of identical structural units in direction gives the crystal.
space. This periodic repetition is called lattice The three edges a, b, c along
Lattice can be defined as n dimensional array of points, each the axis and angle between them α,
of which has identical surroundings. β and γ is termed as lattice
parameters. In 3D it is better to
Basis consider a parallelepiped as unit cell.
A group of atoms attached to each lattice point is called as
basis; which when repeated in space forms a crystal

Translation vector
A lattice in three dimension is defined by three fundamental Types of unit Cell
translation vectors 𝑎⃗, 𝑏⃗⃗ & 𝑐⃗ such that the atomic arrangement Primitive: The unit cell having only one lattice point per unit cell in
looks the same when viewed from a point 𝑟⃗ = 𝑛1 𝑎⃗ + 𝑛2 𝑏⃗⃗ + 𝑛3 𝑐⃗ it is called primitive cell.

Where 𝑛1 , 𝑛2 & 𝑛3 are integers Non primitive : The unit cell having more than one lattice point per
unit cell in it is called non
In two dimension
primitive.
𝑟⃗ = 𝑛1 𝑎⃗ + 𝑛2 𝑏⃗⃗ is as
shown in figure.

Page 1 of 15 Prof. A. P. Manage,

D.M.S. Mandal’s B. K. College, Belgaum
 Solid State Physics
In the given figure below, simple cube is a primitive cell.
Number of atoms per unit cell is one for it. Body centered cubic and
face centered cubic is non primitive. No. of atoms per unit cell is 2
and 4 respectively.

If a is lattice constant then atomic radius, r = a/2

𝑣𝑜𝑙𝑢𝑚𝑒 𝑜𝑓 𝑎𝑡𝑜𝑚𝑠
Atomic packing fraction = 𝑣𝑜𝑙𝑢𝑚𝑒 𝑜𝑓 𝑢𝑛𝑖𝑡 𝑐𝑒𝑙𝑙

4 4 4
1𝑋 4𝜋𝑟 3 𝜋𝑟 3 𝜋𝑟 3
3 3 3
Atomic packing fraction = = =
𝑎3 (2𝑟)3 8𝑟 3

𝜋
= = 0.526 = 52.6%
6
Simple Cubic Structure (SC)
Body Centered Cubic Structure (BCC)
Simple cube has eight corner atoms. Each corner atom contribute
1/8th to unit cell. And each atom has six nearest atom. Body centered cube has eight corner atoms and one atom at the
center. Each corner atom contribute 1/8th to unit cell. And center
Number of atoms per unit cell = 8 atoms X 1/8 = 1 atom has eight nearest atom.
Co-ordination number =6 Number of atoms per unit cell = 8 atoms X 1/8 (corner atom)+ 1
(center atom) = 2
Co-ordination number = 8

Page 2 of 15 Prof. A. P. Manage,

D.M.S. Mandal’s B. K. College, Belgaum
 Solid State Physics
+6X 1/2 (corner atom (face center atom) = 4
Co-ordination number = 12

√3𝑎
If a is lattice constant then atomic radius, r = 4

𝑣𝑜𝑙𝑢𝑚𝑒 𝑜𝑓 𝑎𝑡𝑜𝑚𝑠
Atomic packing fraction = 𝑣𝑜𝑙𝑢𝑚𝑒 𝑜𝑓 𝑢𝑛𝑖𝑡 𝑐𝑒𝑙𝑙 √2𝑎
If a is lattice constant then atomic radius, r = 4
3
4 8 √3𝑎 8 3√3 3
2𝑋 4𝜋𝑟 3 3
𝜋( )
4 𝜋 𝑎 𝑣𝑜𝑙𝑢𝑚𝑒 𝑜𝑓 𝑎𝑡𝑜𝑚𝑠
Atomic packing fraction = 𝑣𝑜𝑙𝑢𝑚𝑒 𝑜𝑓 𝑢𝑛𝑖𝑡 𝑐𝑒𝑙𝑙
3 3 64
Atomic packing fraction = = =
𝑎3 𝑎3 𝑎3
3
√3 4 16 √2𝑎 16 2√2 3
= 𝜋 = 0.68 = 68% 4𝑋 4𝜋𝑟 3 3
𝜋( )
4 𝜋 𝑎
3 3 64
8 Atomic packing fraction = = =
𝑎3 𝑎 3 𝑎3
Face Centered Cubic Structure (BCC) √2
= 𝜋 = 0.74 = 74%
6
Face centered cube has eight corner atoms and six atom at the
center of each face. Each corner atom contribute 1/8th to unit cell The 7 Crystal Systems
and each atom at the center of the face contributes ½ to unit cell.
And center atom at the center of the face has 12 nearest atom. The crystals can be classified according to the relationship
Number of atoms per unit cell = 8 atoms X 1/8 (corner atom) between the lattice sides a, b, and c and angles α, β and γ.

Page 3 of 15 Prof. A. P. Manage,

D.M.S. Mandal’s B. K. College, Belgaum
 Solid State Physics
collectively called Crystal Systems: Tricinic, Monoclinic, ie. 𝛼 = 𝛽 = 𝛾 ≠ 90° < 120°
Orthorhombic, Tetragonal, Trigonal, Hexagonal, and Cubic. ex. CaSO4, etc.

1) Cubic crystal 5) Monoclinic crystal

In this crystal, In this crystal,
i) All the sides of unit cell are equal i) All sides of unit cell are different.
ie. a=b=c ie. a≠b≠c
ii) All the sides of unit cell are at right angle to each other iii) The two sides of unit cell are at right angle but third one
ie. 𝛼 = 𝛽 = 𝛾 = 90° is oblique.
Ex. NaCl, KCl, etc. ie. 𝛼 = 𝛽 = 90° ≠ 𝛾
2) Tetragonal crystal ex. Na2SO4, etc.
In this crystal,
i) Two sides of unit cell are equal but third one is longer. 6) Triclinic crystal
ie. a=b≠c In this crystal,
iii) All the sides of unit cell are at right angle to each other ii) All sides of unit cell are different.
ie. 𝛼 = 𝛽 = 𝛾 = 90° ie. a≠b≠c
ex. NiSO4, SnO2, etc. iv) All the sides are oblique to each other.
ie. 𝛼 ≠ 𝛽 ≠ 𝛾
3) Orthorhombic crystal ex. K2 Cr2O7, Cu2SO4etc.
In this crystal,
ii) All sides of unit cell are different. 7) Hexagonal crystal
ie. a≠b≠c In this crystal,
iv) All the sides of unit cell are at right angle to each other i) Two sides of unit cell are equal but third one is longer.
ie. 𝛼 = 𝛽 = 𝛾 = 90° ie. a=b≠c
ex. KNO3, BaSO4, etc. v) The two sides of unit cell are at right angle but third one
is 120°.
4) Rhombohedral crystal ( or Trigonal) ie. 𝛼 = 𝛽 = 90° 𝛾 = 120°
In this crystal, ex. SiO2, Agl etc.
i) All the sides of unit cell are equal
ie. a=b=c
ii) All the sides of unit cell are equally inclined to each
other to an angle other than 90° < 120°
Page 4 of 15 Prof. A. P. Manage,
D.M.S. Mandal’s B. K. College, Belgaum
 Solid State Physics
Bravais Lattice in Two dimension-Plane lattice

1 – oblique, 2 – rectangular, 3 – centered rectangular, 4 –

hexagonal, and 5 – square.

Bravais Lattice in Three dimension-Space lattice

Based on the lattice parameters a, b, c, α, β and γ and

applying the restrictions as above, only 7 types of crystals are
possible in three dimensions.
They are triclinic, monoclinic, orthorhombic, tetragonal,
trigonal, hexagonal and cubic.
Seven different crystals are again represents 14 Bravais
lattice.

Page 5 of 15 Prof. A. P. Manage,

D.M.S. Mandal’s B. K. College, Belgaum
 Solid State Physics

The orientation of planes or faces in a crystal can be described

in terms of their intercepts on the three axes. Miller introduced a
system to designate a plane in a crystal ie. a set of three numbers to
specify a plane in a crystal. This set of three numbers is known as
‘Miller Indices’ of the concerned plane.
Miller indices is defined as the reciprocals of the intercepts
made by the plane on the three axes.

MILLER INDICES Procedure for finding Miller Indices

The crystal lattice may be regarded as made up of an infinite Step 1: Determine the intercepts of the plane along the axes X,Y
set of parallel equidistant planes passing through the lattice points and Z in terms of the lattice constants a,b and c.
which are known as lattice planes.
Step 2: Determine the reciprocals of these numbers.
For a given lattice, the lattice planes can be chosen in a
Step 3: Find the least common denominator (lcd) and multiply
different number of ways.
each by this lcd.
DIFFERENT LATTICE PLANES
Step 4:The result is written in parenthesis. This is called the `Miller
Indices’ of the plane in the form (h k l).
Note:- 1) If a plane cuts an axis on the negative side of the origin,
corresponding index is negative.
2) A plane which is parallel to any one of the co-ordinate axes has
an intercept of infinity (). Therefore the Miller index for that axis
is zero; i.e. for an intercept at infinity, the corresponding index is
zero.

Page 6 of 15 Prof. A. P. Manage,

D.M.S. Mandal’s B. K. College, Belgaum
 Solid State Physics
ILLUSTRATION ( 1 0 0 ) plane
Plane parallel to Y and Z axes
1)
In the above plane, the intercept along X axis is 1 unit. The
Plane ABC has intercepts of 2 plane is parallel to Y and Z axes. So, the intercepts along Y and Z
units along X-axis, 3 units along axes are ‘’.
Y-axis and 2 units along Z-axis.
Step 1: Now the intercepts are 1,  and .

Step 2 : The reciprocals of the intercepts are = 1/1, 1/ and 1/.
Step 3 : Therefore the Miller indices for the above plane is (1 0 0).

DETERMINATION OF ‘MILLER INDICES’

3. Miller indices for the plane with intercepts 2a,- 3b and 4c
Step 1: The intercepts are 2,3 and 2 on the three axes. the along the crystallographic axes.
Step 2: The reciprocals are 1/2, 1/3 and 1/2. Step 1: The intercepts are 2, -3 and 4 along the 3 axes
Step 3: The least common denominator is ‘6’. Multiplying each Step 2: The reciprocals are
reciprocal by lcd, we get, 3,2 and 3.
Step 3: The least common denominator is 12. Multiplying each
Step 4: Hence Miller indices for the plane ABC is (3 2 3) reciprocal by lcd, we get 6 -4 and 3
2) Step 4: Hence the Miller indices for the plane is ( 6 4̅ 3)

Page 7 of 15 Prof. A. P. Manage,

D.M.S. Mandal’s B. K. College, Belgaum
 Solid State Physics
MILLER INDICES OF SOME IMPORTANT PLANES
Consider a crystal of side a, b and c be the length of sides along X, Y
and Z axis respectively and a plane ABC, whose Miller indices are (h k l)

Let ON = d1 , be the perpendicular distance of the plane ABC from the

origin.

Let ’, ’ and 𝛾′ (different from the interfacial angles,  and ) be

the angles between co- ordinate axes X,Y,Z and ON respectively.

The intercepts of the plane on the three axes are,

𝑎 𝑏 𝑐
𝑂𝐴 = , 𝑂𝐵 = and 𝑂𝐶 = ……..(1)
ℎ 𝑘 𝑙

From the figure, (a), we have,

𝑑1 𝑑1 𝑑1
cos α′ = , cos 𝛽′ = & cos 𝛾′ = …..(2)
𝑂𝐴 𝑂𝐵 𝑂𝐶

From equation 1 and 2, we get,

ℎ 𝑘 𝑙
SEPARATION BETWEEN LATTICE PLANES (Inter planar cos α′ = 𝑑1 , cos 𝛽′ = 𝑑1 & cos 𝛾′ = 𝑑1 …..(3)
𝑎 𝑏 𝑐
distance) From the property of direction of cosines,

cos 2 𝛼′ + cos 2 𝛽′ + cos 2 𝛾′ = 1 ……..(3)

From equation 2 and 3, we get,
2 2 2
ℎ 𝑘 𝑙
𝑑12 [( ) +( ) +( ) ]=1
𝑎 𝑏 𝑐

Page 8 of 15 Prof. A. P. Manage,

D.M.S. Mandal’s B. K. College, Belgaum
 Solid State Physics
1
i.e. 𝑑12 = ℎ 2 𝑘 2 𝑙 2 𝑎 2 𝑏 2 𝑐 2
[( ) +( ) +( ) ]
𝑎 𝑏 𝑐 𝑑 = √( ) + ( ) + ( ) … . (6)
ℎ 𝑘 𝑙

1 𝑎 𝑏 𝑐 2 2 2
𝑑1 = √ ℎ 2 𝑘 2 𝑙 2 = √( ) + ( ) + ( )
[( ) +( ) +( ) ] ℎ 𝑘 𝑙
𝑎 𝑏 𝑐 For Simple cube a = b = c ; let it be a

Then d for simple cube is,

i.e. the perpendicular distance between the origin and the 1st
plane ABC is,
𝑎 2 𝑎 2 𝑎 2 𝑎
𝑎 2 𝑏 2 𝑐 2 √
𝑑 = ( ) +( ) +( ) =
𝑑1 = 𝑂𝑁 = √( ) + ( ) + ( ) ….(4) ℎ 𝑘 𝑙 √ℎ2 + 𝑘 2 + 𝑙 2
ℎ 𝑘 𝑙

Now, let us consider the next parallel plane A’B’C’. Let OM=d2
be the perpendicular distance of this 2nd plane from the origin.
Special cases:
The intercepts of this plane along the three axes are 1 1
1) Simple cube: 𝑑100 : 𝑑110 : 𝑑111 = 1: ∶
2𝑎 2𝑏 2𝑐 √2 √3
𝑂𝐴′ = , 𝑂𝐵′ = and 𝑂𝐶′ = 2) Body centered cube : 𝑑100 : 𝑑110 : 𝑑111 = 1:
2
∶
1
ℎ 𝑘 𝑙 √2 √3
1 2
Then 𝑑2 becomes 3) Face centered cube : 𝑑100 : 𝑑110 : 𝑑111 = 1: ∶
√2 √3

𝑎 2 𝑏 2 𝑐 2
𝑑2 = 𝑂𝑀 = 2√( ) + ( ) + ( ) ………(5)
ℎ 𝑘 𝑙

Hence spacing between two consecutive planes ( ie. ABC and

A’B’C’)

𝑎 2 𝑏 2 𝑐 2 𝑎 2 𝑏 2 𝑐 2
√ √
𝑑 = 𝑑2 − 𝑑1 = 2 ( ) + ( ) + ( ) − ( ) + ( ) + ( )
ℎ 𝑘 𝑙 ℎ 𝑘 𝑙

Page 9 of 15 Prof. A. P. Manage,

D.M.S. Mandal’s B. K. College, Belgaum
 Solid State Physics
NaCl structure No of atoms per unit cell: The unit cell of NaCl contains four
sodium and four chlorine ions. Therefore the unit cell contains 4
NaCl molecules.
The Each unit cell has 8 corner Cl- atoms contributing 1/8th
to the unit cell. And 6 face centered atoms contributing ½ to
the unit cell.
No of Cl- atoms per unit cell = (1/8 x 8 corner atoms)
+ (1/2 x 6 face atoms)
=4
The Each unit cell has 12 edge center Na+ atoms
contributing 1/4th to the unit cell. And 1 body center atom.
No of Na+ atoms per unit cell = (1/4 x 12 edge center atoms)
NaCl has FCC structure with Na+ and Cl- ions as basis. The Na+ + (1 body center atoms)
ions are situated at corners as well as at the center of the faces of
cube.Cl- ions are relatively placed at ½ of the edge of unit cell along =4
each axis. Coordination number: Each Na+ ion has 6 nearest Cl- ions and each
NaCl crystal is formed by interpenetration of two BCC sub Cl- has 6 nearest Na + ions.
lattices of Na+ and Cl- ions exactly at the half of the edge of the
lattice along each axis. The coordination number for opposite kind of ions is 6 with
distance (d=a/2)
If the Cl- ions occupy corners of the unit cell, one corner is
taken as the origin and the coordinates of ions are expressed in The coordination number for same kind of ions is 12 with
fractions of the edge length of the cube. The coordinates of Cl- ions distance (d= a/√2)
are 000, ½0½, 0½½, ½ ½ 0.
Note: KCl has same structure instead of sodium Na potassium K
In the same system the coordinates of the four Na ions are atom and KCl is simple cube(from Bragg’s law)
½½½ , ½00, 0½0, 00½

Page 10 of 15 Prof. A. P. Manage,

D.M.S. Mandal’s B. K. College, Belgaum
 Solid State Physics
X- Ray diffraction The experimental arrangement is as in fig.

X-ray has wavelength of order 0.1 to 1Ao . Ordinary grating

with 6 X 105 lines per metre can not produce X-ray diffraction. For
X- ray diffraction to take place 4000 million lines per metre grating
is required which is impossible.
Laue suggested that crystal can be used to produce diffraction
of X- ray. This diffraction pattern consists of a central spot and a
series of spots arranged in a definite pattern around the central
spot. This pattern is known as Laue’s pattern.
The diffraction depends on the crystal structure and on the
wavelength.When the wavelength of the radiation is comparable
with or smaller than the lattice constant, one can find diffracted
The crystal whose structure has to be studied is held
beams in directions quite different from the incident radiation.
stationary in a continuous x-ray beam.
The structure of a crystal can be determined by studying the
After passing through the pin holes of lead diaphragm a fine
diffraction pattern of a beam of radiation incident on the crystal.
beam of x-rays is obtained
Beam diffraction takes place only in certain specific
These x-rays are allowed to fall on the crystal. The crystal
directions, much as light is diffracted by a grating. By measuring the
planes in the crystal diffract the x – rays satisfying Bragg’s law. The
directions of the diffraction and the corresponding intensities, one
diffracted x-rays are allowed to fall on a photographic plate.
obtains information concerning the crystal structure responsible for
diffraction. The diffraction pattern consists of a series of bright spots
corresponding to interference, satisfying the Braggs Law, for a
particular wavelength of incident X-rays.

LAUE METHOD
The Laue method is one of the x-ray diffraction techniques used for
crystal structure studies.

Page 11 of 15 Prof. A. P. Manage,

D.M.S. Mandal’s B. K. College, Belgaum
 Solid State Physics
Bragg’s Law From Δle OPO1
𝑃𝑂1 𝑃𝑂1
sin 𝑃𝑂𝑂1 = sin 𝜃 = =
𝑂𝑂1 𝑑
If ‘d’ is the inter planar spacing
𝑃𝑂1 = 𝑑 sin 𝜃
in a crystal,
λ is the wave length of the
Incident x-rays From Δle OQO1

n is the order of diffraction

spots 𝑄𝑂1 𝑄𝑂1
sin 𝑄𝑂𝑂1 = sin 𝜃 = =
𝑂𝑂1 𝑑
θ is glancing angle,
𝑄𝑂1 = 𝑑 sin 𝜃
∴ ∆ = PO1 + O1Q = 𝑑 sin 𝜃 + 𝑑 sin 𝜃 = 2𝑑 sin 𝜃
Then 2d sinθ = nλ
If path difference is integral multiple O
This Eqn is known as Bragg’s law.
Proof :- Consider a set of parallel planes of crystal in which spacing
between successive planes is d. If a narrow beam of X-ray of Importance of Bragg’s law:
wavelength λ be incident on the planes with glancing angle θ. 1. From Bragg’s law the inter planar distance can be calculated
Let AA1 and BB1 are two consecutive planes and XO and X1O1 2. The lattice constant ‘a’ can be calculated from the value of d
are the two light rays , reflected at O and O1 along OY and OY1, such 3. Knowing ρ and M(molecular weight ) of the crystal and the
that number of atoms N in unit cell, a can be calculated. By the
1⁄
𝑀 3
YOA1 = Y1O1B1 =θ formula 𝑎 = ( )
2𝑁𝜌
4. Knowing d and a, [h2 + k2 + l2 ] can be calculated
OP and Oq are perpendicular lines drawn from O on X1O1. Then
5. Depending on the values of h2 + k2 + l2 we can classify the crystal
path difference between two beams reflected at two consecutive
structure .
planes is ∆ = PO1 + O1Q

Page 12 of 15 Prof. A. P. Manage,

D.M.S. Mandal’s B. K. College, Belgaum
 Solid State Physics
Bragg’s X-ray spectrometer
Bragg’s spectrometer
used to determine the
wavelength of X–rays is
shown in Fig. Bragg’s
spectrometer is similar in
construction to an ordinary
optical spectrometer.

 For certain values of glancing angle, the ionization current

X–rays from an X-ray tube are made to pass through two
increases abruptly. The first peak corresponds to first order, the
fine slits S1 and S2 . This fine X-ray beam is then made to fall
second peak to second order and so on.
upon the crystal ‘C’ mounted on the spectrometer table. This
 From the graph, the glancing angles for different orders of
table is capable of rotation about a vertical axis and its rotation can
reflection can be measured.
be read on a circular graduated scale S.
 From Bragg’s law
The reflected beam after passing through 2𝑑 sin 𝜃1 = 1𝜆 , 2𝑑 sin 𝜃2 = 2𝜆 , 2𝑑 sin 𝜃3 = 3𝜆 … ….
the slits S3 and S4 enters the ionization chamber. The X-rays
sin 𝜃1 : sin 𝜃2 : sin 𝜃3 = 1: 2: 3
entering the ionization chamber ionize the gas which causes a
current to flow between the electrodes and the current can be Bragg’s law and crystal structure
measured by galvanometer G. The ionization current is a measure a) KCl stucture
of the intensity of X-rays reflected by the crystal.
For (100) , (110) and (111) planes the glancing angles are found
Verification of Bragg’s law
to be 5023’ , 7037’ and 9025’ respectively
The ionization current is measured for different values of
glancing angle θ. A graph is drawn between the glancing angle θ By Bragg’s law (2d sinθ = nλ)
and ionization current (Fig.). The ratios of d for 100) , (110) and (111) planes are found to be

Page 13 of 15 Prof. A. P. Manage,

D.M.S. Mandal’s B. K. College, Belgaum
 Solid State Physics
1 1
𝑑1 : 𝑑2 : 𝑑3 = 1: :
√2 √3

Hence KCl belongs to simple cubic. It consists of a cylindrical camera, consisting of a film in the
inner portion.
a) NaCl stucture
The powder is prepared by crushing the polycrystalline
For (100) , (110) and (111) planes the glancing angles are found
material so that it consists of crystallites.The finely powdered
to be 5023’ , 7037’ and 50 respectively crystal is filled in a capillary tube and held stationary.
By Bragg’s law (2d sinθ = nλ) Around the powder specimen a photograph film is set
The ratios of d for 100) , (110) and (111) planes are found to be circularly so as to record the diffraction at any possible angle ϴ.
1 2 Procedure:
𝑑1 : 𝑑2 : 𝑑3 = 1: :
√2 √3
A fine beam of monochromatic x-rays are send through the
Hence NaCl belongs to Face centre cubic.
powdered crystal. The x-rays are diffracted from individual micro
Powder Crystal Method crystals which orient with planes making Bragg’s angle ϴ with the
beam For different values of ϴ and d.
The powder method is an X-ray diffraction technique used to study
the structure of micro crystals in the form of powder. The The diffracted rays corresponding to fixed values of ϴ and d,
experimental arrangement is as in the figure. lie on the surface of a cone with its apex at the tube p and the semi
vertical angle 2ϴ.
Different cones are observed for different sets of ϴ and d,
Film or for a particular order of n.
Monochromatic
movable
X-ray source
detector The diffracted X-ray cones make impressions on the film in
2
the form of arcs. It is noted that arcs are reversed when angle
of diffreaction exceeds 90°
sample

Page 14 of 15 Prof. A. P. Manage,

D.M.S. Mandal’s B. K. College, Belgaum
 Solid State Physics

Let 𝑙1, 𝑙2 , 𝑙3 be the distances between symmetric lines and D

is diameter of the cylindrical film
90° 90° 90°
Then 𝜃1 = 𝑙1 , 𝜃2 = 𝑙2 , 𝜃3 = 𝑙3
𝜋𝐷 𝜋𝐷 𝜋𝐷

Page 15 of 15 Prof. A. P. Manage,

D.M.S. Mandal’s B. K. College, Belgaum