Crystal Imperfections

Crystal Defects
An ideal crystal can be described in terms a three-dimensionally periodic arrangement of points called lattice and an atom or group of atoms associated with each lattice point called basis.
Crystal = Lattice + basis

However, there can be deviations from this ideality. These deviations are known as crystal defects.
Point Defects
a)Vacancies/schottky defect
b)Interstitialcies/Frankel defect c)Compositional defects

1)substitutional impurity
2) interstitial impurity
d) Electronic defects
VACANCY OR SHOTTKEY DEFECT
INTERSTICIALCIES OR FRANKEL DEFECT
Frenkel defect
Schottky defect
In ionic crystals, an ion displaced from a regular site to an interstitial site is called Frankel imperfection.
A pair of one cation and one anion can be missing from an ionic crystal. Such a pair of vacant ion sites is called schottky imperfection.
Line Defects 1.Edge dislocation
2.Screw dislocation
In a perfect crystal, atoms are arranged in both vertical and horizontal planes parallel to the side faces
A PERFECT CRYSTAL OF VANADIUM
If one of these vertical planes does not extend to the full length, but ends in between, within the crystal, it is called edge dislocation.
EDGE DISLOCATION
Edge dislocation
t
Dislocation line
Dislocation can be considered as the boundary between the slipped and the unslipped parts of the crystal lying over a slip plane The intersection of the extra half-plane of atoms with the slip plane defines the dislocation line (for an edge dislocation) Direction and magnitude of slip is characterized by the Burgers vector of the dislocation
(A dislocation is born with a Burgers vector and expresses it even in its death!)
The Burgers vector can be determined by the Burgers Circuit Right hand screw (finish to start) convention is usually used for determining the direction of the Burgers vector As the periodic force field of a crystal requires that atoms must move from one equilibrium position to another b must connect one lattice position to another (for a full dislocation) Dislocations tend to have as small a Burgers vector as possible Dislocations are non-equilibrium defects and would leave the crystal if given an opportunity
2 3
Burgers vector b
Slip plane
slip
no slip
boundary = edge dislocation
Burgers vector: The magnitude and the direction of the slip is represented by a vector b called the Burgers vector,
Mixed dislocations Dislocations with mixed edge and screw character

As we had noted, except in special circumstances, dislocations have mixed edge and screw character In a curved dislocation the edge and screw character change from point to point Typically in a dislocation loop only points have pure edge or pure screw character Edge: b t Screw: b || t
b
Vectors defining a dislocation
t
b
+ve Edge
Slip Plane
RHS
Red line is the loop
ve Edge
LHS
Geometric properties of dislocations

In a edge dislocation : b is perpendicular to t In a screw dislocation : b is parallel to t Other properties are as in the table below Dislocation Property Relation between dislocation line (t) and b Type of dislocation Edge Screw ||
Slip direction
Direction of dislocation line movement relative to b Process by which dislocation may leave slip plane
|| to b
|| climb
|| to b
Cross-slip
t
b || t
Model of Screw Dislocation
SCREW DISLOCATION
This is a line defect called an EDGE DISLOCATION
S F
9
8 7 6 5
10
1 1
12
13 14 15
16
1 2
4
3 2 1 16 15 14 13 12
A closed Burgers Circuit in an ideal crystal
3 4 5 6 7 8
9
1 1 1 0 9 8 7 6 5 4 3 2 1
F
9 8 7 6 5 4 3 2 1
10 1 1
12 13
14 15
16 1 2
Map the same Burgers circuit on a real crystal
3
4 5 6 7 8 9
16 15
14
13
12
1 1
10
RHFS convention
Let us consider a quarter of a loop
E S
Pure screw
Pure Edge
Except for points S and E the remaining portion of the dislocation line has a mixed character
Glide of an Edge Dislocation
crss
crss is
critical resolved shear stress on the slip plane in the direction of b.
crss
SCREW DISLOCATION
BURGERS VECTORFOR SCREW DISLOCATION
Surface Defects
Twinning
Rational symmetrically-related intergrowth
Lattices of each orientation have definite
crystallographic relation to each other A variety of planar structural defect
TWIN BOUNDARY
Twinning
Aragonite twin
Note zone at twin plane which is common to each part
Although aragonite is orthorhombic, the twin looks hexagonal due to the 120o O-C-O angle in the CO3 group
Redrawn from Fig 2-69 of Berry, Mason and Dietrich, Mineralogy, Freeman & Co.
GRAIN BOUNDARY
TILT BOUNDARY
Internal surface: grain boundary

Grain Boundary
Grain 1
Grain 2
A grain boundary is a boundary between two regions of identical crystal structure but different orientation
Grain Boundary: low and high angle

One grain orientation can be obtained by rotation of another grain across the grain boundary about an axis through an angle
If the angle of rotation is high, it is called a high angle grain boundary If the angle of rotation is low it is called a low angle grain boundary
Stacking fault
C B A C B A C B A
FCC A C B A B A C B A FCC
Stacking fault
A twin boundary happens when the crystals on either side of a plane are mirror images of each other. The boundary common to the two planes is a twin boundary

Crystal Imperfections

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Crystal Imperfections

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Crystal Defects

Crystal = Lattice + basis

b)Interstitialcies/Frankel defect c)Compositional defects

VACANCY OR SHOTTKEY DEFECT

INTERSTICIALCIES OR FRANKEL DEFECT

Line Defects 1.Edge dislocation

A PERFECT CRYSTAL OF VANADIUM

boundary = edge dislocation

Mixed dislocations Dislocations with mixed edge and screw character

Red line is the loop

Geometric properties of dislocations

Model of Screw Dislocation

This is a line defect called an EDGE DISLOCATION

A closed Burgers Circuit in an ideal crystal

Map the same Burgers circuit on a real crystal

Let us consider a quarter of a loop

Glide of an Edge Dislocation

BURGERS VECTORFOR SCREW DISLOCATION

crystallographic relation to each other A variety of planar structural defect

Internal surface: grain boundary

Grain Boundary: low and high angle

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