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CRYSTAL PHYSICS
Solids
are
broadly
classified
into
two
categories
namely
5.2
Fundamental Definitions
5.3
Lattice Parameter
Fig. 5.2
5.4
Bravais Lattice
Bravais showed that there are only fourteen possible different
(Unit vector)
Angles
Cubic
a =b = c
= = = 90
Tetragonal
a =b c
= = = 90
Orthorhombic
a b c
= = = 90
Monoclinic
a b c
= = 90
Triclinic
a b c
90
Trigonal or Rhombohedral
a =b = c
= = 90
Hexagonal
a =b c
= = 90 = 120
S.No
Crystal System
Bravais lattice
Primitives &
Examples
Interfacial angles
1.
Cubic
a =b =c
Body centered
cubic (BCC)
NaCl, CaF2,
Fe, Au, Cu
= = = 90
Face-centered
cubic (FCC)
2.
Tetragonal
a =b c
Body-centered
3.
Orthorhombic
NiSO4
cubic (BCC)
= = = 90
a b c
Body centered
cubic (BCC)
Face-centered
cubic (FCC)
Base centered cubic
TiO2, SnO2,
BaSO4,
MgSO4,
= = = 90
KNO3
4.
Monoclinic
a b c
Face-centered
cubic (FCC)
CaSO42
H2O,
= = 90
FeSO4,
Na2SO4
5.
6.
Triclinic
Trigonal
(Rhombohedral)
7.
Hexagonal
a b c
CuSO4,
90
K2Cr2O7
a =b = c
Bi, Sb, As
= = 90
Simple cubic (SC)
a =b c
Quartz, Zn,
= = 90
Mg, SiO2
= 120
5.5
All equally spaced parallel planes have the same Miller indices.
2.
3.
If the Miller indices of two planes have the same ratio (like 422 or
211), then the planes are parallel to each other.
4.
5.
(h k l)
6.
If the plane cuts the negative side of the axes, the intercept is a
negative number and the miller indices is negative.
7.
5.6
respectively.
5.7
number of atoms per unit cell and the density of the material. If N is
the Avagadro's number and A the atomic weight of the material then,
A
Mass of each molecule = N/ A
Mass of 'n' molecules = n N/ A
Mass of unit cell
=
Volume of unit cell
5.8
Atomic radius
Atomic radius is defined as half the distance between the nearest
Co-ordination number
Co-ordination number is defined as the number of equidistant
volume of the unit cell is called atomic packing factor. This is also called
as packing fraction or packing factor.
Packing factor = v/ V
Where v is the volume of atoms in unit cell
5.9
Co-Ordination number
Co-ordination number of an atom in a crystal is the number of
nearest neighbouring atom. Let us consider one corner atom. This atom
is surrounded by 4 equally spaced neighbouring atoms in the same
plane, one vertically above and one exactly below this atom.
The co-ordination number = 4 + 1 + 1 + = 6
Atomic radius
Let us consider the atoms are sphere. The unit cell has atoms only
at the corner of the cube. Each corner atom touch each other along the
edges of the cube. If r is the atomic radius and a the side of the cube,
then from Fig 5.8 b we can write
2r = a
r = a/2
Co-ordination number
Consider the body centered atom in this cube. This atom is
surrounded by the corner atoms and is situated at equidistant from all
the corner atoms. This atom almost touches all the corner atoms. So
the nearest neighbour for a body centered atom is the 8 corner atoms.
Hence the co-ordination number = 8
Atomic radius
The unit cell has 8 atoms at the corners of the cube and 1 atom at the
centre of the cube. Here the corner atoms do not touch each other, but each
corner atom touches the central atom. Two atoms are in a straight line
along the diagonal inside body and the centre atom is along the body
diagonal. So in calculating the distance between the atoms, the central
atom should be taken into consideration. If 'r' is the atomic radius and 'a' is
the side of the cube then from the Fig. 5.10
In ABC,
In ADC,
Total number of corner atoms in the upper and bottom layer =12 1
Share of each corner atom = 12 x 1/ 6 = 2
Total number of central atoms = 2
Contribution of each central atom = 2 x = 1
In the middle layer there are 3 atoms which are not shared by any
unit cell. Hence the contribution is full.
Total number of atoms m one unit cell = 12 x 1/6 + 2 x 2 x 1/2 + 3 = 6
atoms.
Co-Ordination number
Consider the face centered atom in the bottom layer. It is
surrounded by she corner atoms. Above the face centered atom there is
a layer containing 3 atoms. Similarly below the face centered atom
In ABA1
Atomic radius
Consider a corner atom and an atom along the body diagonal.
The diagonal atoms lies at a distance one fourth of the body diagonal
length.
From Fig 5.16 (c)
Fig. 5.1 shows the zinc sulphide (ZnS) structure which is the
result of Zn atoms on one FC lattice and S atoms on other FCC lattice
cell in sodium chloride structure has four sodium ions and four
chlorine ions. Hence each unit cell has four NaCI molecules.
Point defects
Line defects
Surface defects
Volume defects
Vacancy
Interstitial
Substitutional impurities
Interstitial impurities
Schottky defect
Frenkel defects
Electronic defects
Vacancy
Vacancy refers to the missing of an atom from its site as in Fig.
5.20 (a). This defect may rise either from imperfect crystal packing or
from thermal vibrations of atoms at high temperatures. To create a
vacancy the thermal energy required is of the order of 1 eV per
vacancy.
Interstitial
In a close-packed arrangement of atoms if the atomic packing
factor is low, an extra atom may be lodged within the crystal structure
as in Fig. 5.20 (b). This is known as interstitials. This may also be
created by thermal agitations.
Substitutional Impurities
Interstitial Impurities
A foreign atom or ion occupying the void between regularly
occupied sites in crystals creates interstitial impurities (Fig. 5. 20(d)).
The foreign atom gets well fitted if its size is relatively small compared
to the parent atom.
Schottky defect
In an ionic crystal, if there is a vacancy in a positive-ion site and
charge neutrality is achieved by creating a vacancy in a neighbouring
negative-ion stie, such a pair of vacant sites is called schottky defect (Fig.
5.20 (e)).
Frenkel defect
In ionic crystals, an ion displaced form the lattice into an interstitial
site is called a frenkel defect. As captions are generally smaller ions, it is
possible for them to get displaced into the void space present in the lattice.
A frenkel imperfection does not change the overall electrical neutrality of
the crystal.
Electronic defects
Electronic
defects
are
nothing
but
the
errors
in
charge
1.
2.
Screw dislocation
Edge dislocation
The atoms are expected to be arranged in a regular fashion in an
ideal crystal. However if any of this regular arrangement is not
extended to the full length of the crystal and ends in between within the
crystal as in Fig. 5.22, then it is known as edge dislocation. The
discontinuity of the atom leads to a distortion of the crystal shape
around the edge.
Screw dislocation
When the dislocation tends the atom to get displaced in two
separate planes perpendicular to each other, it is called as screw
dislocation. In this case the lattice planes of the crystal spiral the
dislocation line and so are called screw dislocation (Fig 5.23).
In screw sislocation the burger vector and the dislocation are
parallel to each other. The force required to initiate screw dislocation is
greater than that is required to initiate edge dislocation.
5.15.3 Surface defects
In a crystal, the defects that take place on the surface of the
material are known as surface defects or plane defects. In geometrical
sense, these imperfections are two dimensional and their thickness is of
few atomic diameters. Surface defects are classified as
1. Grain boundary
Grain Boundary
Stacking faults
These are imperfection arised due to the dissimilarity in the
stacking sequences of atomic planes in crystals. This occur in the closed
pack FCC and HCP structures. For example for an ideal stacking like
ABCABCABC we get
ABCA
BCBC
ABC