05-02-2025
Topic-3: Imperfection in solids
All real crystals contain imperfections
A crystalline defect refers to a lattice irregularity having one or
more of its dimensions on the order of an atomic diameter
Crystal defects/ imperfections
Dimension Defect/ Definition and Nature of the Defects Tools for identification
imperfection and quantification
Point defects are of zero-dimensional i.e. atomic
disorder is restricted to point-like regions.
0D Point defects Thermodynamically stable compared with other TEM
kind of defects
Size of this defects 1-2 atomic order
Line imperfection are called Dislocations
They are not thermodynamically stable
1D Line defects Dislocation density can be expressed: total length of TEM
the dislocation line (m) per unit volume (m-3) ~ (m-2)
Refers to regions of distortions that lie about a
2D Surface defects surface having a thickness of few atomic diameters Optical, SEM, TEM
3D Volume defects Optical, SEM, TEM
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Point defects
Point defects- also known as zero-dimensional defects
Vacancy: Atomic site from where the atom is missing
Interstitials: Atom occupies the void space in the parent lattice
Substitutional: Foreign atom replaces the parent atom
Al and P are substitutional impurity in silicon
Frenkel defect
Schottky defect
Point Defects
Vacancy:
A point defects is a vacancy,
or vacant lattice site (An
atom is missing in lattice
site)
bonds are missing for the
adjacent atoms
Self-Interstitials:
Atom (Same types) occupies
the void space in the lattice
Ex: Al atoms settles its lattice
void space
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Point Defects
In ionic crystals, defects can form on the condition of charge neutrality. Two possibilities are:
Schottkey and Frenkel defect
The combination of
a vacancy and
interstitial is called
The combination of a Frankel
anion and cation imperfection.
vacancies (in pairs) is
called Schottkey
imperfections.
Schottkey imperfection is a type of vacancy in which an
atom being free from regular site, migrates through
successive steps and eventually settles at the crystal
surface.
IMPURITIES IN SOLIDS: Solid Solution
Atom A Atom A
Atom C
Atom B
Substantial Solid Solution Interstitial Solid Solution
Host atom A and impurity B Host atom A and impurity C
Atomic size of A and B close Atomic size of A much greater than C
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Vacancies in MoS2 (missing of S atoms)
1 nm
Point defects- why should you care?
Presence of Effect
Point defect introduces distortions in the crystal
Vacancy bonds are missing for the adjacent atoms
Impurity Size difference creates elastic strain in the region around;
atom elastic strains are present whether the atom is
smaller/larger than the parent atom
Larger atom introduces compressive stress
Smaller atom introduces tensile stress –strain field
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Quantification of Point Defects: Vacancies
The equilibrium number of vacancies Nv for a given quantity of material (usually per
meter cubed) depends on temperature and increases with temperature
Problem
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Significance of point defects
• Al2O3 + Fe (as an impurity)
• Pure crystalline Al2O3 (Transparent)
• Al2O3 + Co (as an impurity)
Line defects: Dislocation
A dislocation is a linear or one-dimensional defect around which
some of the atoms are misaligned
Dislocations are three types
1. Edge dislocation
2. Screw Dislocation
3. Mixed dislocation (Edge dislocation + Screw Dislocation)
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1. Edge dislocation
• Insertion of extra half plane
• Burgers vector is perpendicular to dislocation line
Edge dislocation
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2. Screw dislocation
Atomic distortion along a line – atomic planes displaced in a helical path around the
dislocation line
Dislocation Line Top plane Dislocation Line
Bottom plane
If we turn a screw through one full rotation, we move the screw
backward or forward by a distance equal to its pitch. This feature
has led to the name screw dislocation. The atomic bonds in the region
immediately surrounding the dislocation line have undergone a shear
distortion shown in the figure.
Mixed dislocation
• Has character of both edge and screw dislocation
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Quantification of dislocation
Burgers vector: quantifies the difference between the distorted lattice around
the dislocation and the perfect lattice
The magnitude and the direction of the displacement are defined by a vector called the
Burgers vector
Record the number of lattice vectors travelled along each side of the loop
Screw dislocation
• Burgers vector is parallel to dislocation line
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Properties of dislocations
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Effect of having dislocation
• Movement of dislocations assists deformation
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Slip: Edge dislocation
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Important information about Dislocation
• Dislocation can be considered as the boundary between the slipped and the
unslipped parts of the crystal lying over a slip plane.
• For an edge dislocation, the intersection of the extra half-plane of atoms with the slip
plane defines the dislocation line.
• Direction and magnitude of slip is characterized by the Burgers vector of the
dislocation
• The Burgers vector can be determined by the Burgers Circuit. The right hand screw
(finish to start) convention is 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, which implies that b connects 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
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How dislocations look under microscope?
a) Bright field TEM image
of the dislocation
distribution in a MnS
inclusion. (b) An HRTEM
image of the dislocation
core
Dislocation form during plastic deformation, solidification or
due to thermal stresses arising from rapid cooling
Surface defects (2D)
• Surfaces (variation in co-ordination number)
• Grain boundaries
• High angle (>15º)
• Low angle (<15º)
• Twin boundary
• Stacking fault
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Grain boundaries
Grain: portion of crystalline material within which arrangement of atoms is identical
Note that: the boundaries with misorientation angles lower
than 5 degrees are called subgrain boundaries.
High and low angle grain boundaries
• High angle (>15º)
• Low angle (<15º)
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How grain boundary look in atomic scale?
The atoms are bonded less regularly
along a grain boundary (e.g., bond
angles are longer), and consequently
there is an interfacial or grain boundary
energy similar to the surface energy
Twin boundary
• Across the boundary there is mirror image misorientation
• Annealing twin and Deformation twin
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Twin
Twin boundary Twins in copper
Stacking fault
• An error in stacking sequence
ABC ABC ABC ABC ABC ABAB CABC
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Energy associated with surface defects
• Energy expressed in J/cm2 or ergs/cm2
Bulk or Volume defects
Volume defects are three-dimensional in nature.
These defects are introduced, usually, during processing and fabrication
operations like casting, forming etc.
E.g.: Pores, Cracks, Foreign particles
These defects act like stress raisers, thus deleterious to mechanical
properties of parent solids.
In some instances, foreign particles are added to strengthen the solid –
dispersion hardening. Particles added are hindrances to movement of
dislocations which have to cut through or bypass the particles thus increasing
the strength.
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Volume defects: (a) Coherent phase volume. (b) Noncoherent phase volume. (c) Void
(faceted)
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