Crystal Defects

Electronic Materials and Devices

BECE201L  Crystals will have a regular periodic arrangement of
atoms.
Module 1: Electrical and Thermal  Any deviation from this periodicity is known as defects

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conduction in Solids or imperfections in crystals.
Crystalline Materials  Definition: The deviation from the perfect periodicity of
 Crystalline state
atomic arrays in crystals is known as crystal defects.
 Crystalline defects • The crystal defects affect their properties such as

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 Single Crystal Growth
 Czochralski Crystal Growth
mechanical strength, ductility, crystal growth, dielectric
strength, magnetic hysteresis, conductivity, etc.
• A perfect crystal, with every atom of the same type in
Dr. K. Govardhan, correct position, does not exist.

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School of Electronics Engineering,
VIT University
• Thus, all crystals have some defects. The defects in

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crystals may be confined to a point, line, surface and
volume.
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Types of Crystal Defect

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 These are defects of atomic dimensions that

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1. Point defects: (Zero-dimensional defects) usually result from:
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2. Line defects: (One-dimensional defects) 1. The presence of an impurity atom

 Substitutional →larger atoms
3. Surface defects: (Two-dimensional defects)  Interstitial → smaller atoms
2. The absence of a matrix atom (vacancy)
4. Volume defects: (Three-dimensional defects)
3. The presence of a matrix atom in a wrong place
(self-interstitial)

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 Point Defects Point Defects
• Vacancies: Presence of an impurity atom:
-vacant atomic sites in a structure. -"extra" atoms positioned between atomic sites.

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Vacancy
distortion Interstitial
of planes

• Self-Interstitials:

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-"extra" atoms positioned between atomic sites.

self-
interstitial
distortion

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Substitutional
of planes

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The point defects discussed so far occur in metallic
structures. Those in ionic structures differ because of the
Schottky defects
charge neutrally requirement. • It is special case of vacancy defects in ionic crystals.
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• Definition: When a pair of vacancies is produced at one
positive ion site and one negative ion site due to absence
of positive and negative ions, then this type of defect is
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An anion called the Schottky defect.

and a cation
is missing
• In ionic crystals, there are two types of possible vacancies,
namely cation (+ve ion) vacancies and anion (–ve ion)
vacancies.
• When a +ve ion from the interior of the lattice moves out
of the crystal to its surface, then a +ve vacancy is formed
at its site.
An anion or a • The formation of +ve ion vacancy results in excess
cation is at an
interstital site negative charge inside the crystal.

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 • To maintain charge neutrality, a –ve ion moves to the
Frenkel defects
crystal surface creating a –ve ion vacancy at its  It is special case of vacancy and interstitial defects in
site. ionic crystals.
 Definition: When a pair of vacancies is produced at
• NaCl, CsCl etc., exhibits Schottky defect

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one positive ion site and one negative ion site by
replacing positive and negative ions, then this type of
defect is called the Frenkel defect.
 Consider the periodic distribution of +ve and –ve ions

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in an ionic crystal.
 When a +ve ion leave its site and settles in the
interstitial position then it creates a vacancy in its
position.

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 Thus, a vacancy and interstitial defects are created.

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This pair of defects is known as Frankel defect.

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 In case of Frankel defect also charge neutrality is
maintained.
2. Line Defects (Dislocations)
Dislocations:
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 AgBr, AgCl, ZnS etc., exhibits Frankel defects • are line defects,
• slip between crystal planes result when dislocations move,
• produce permanent (plastic) deformation.
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Schematic of Zinc (HCP):

• before deformation • after tensile elongation

slip steps

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 Linear Defects (Dislocations) Edge dislocations
– Are one-dimensional defects around which atoms • If one of the vertical planes does not extended to the
are misaligned full length, but ends in between, within the crystal,
• Edge dislocation: then such a defect is known as edge dislocation.

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– extra half-plane of atoms inserted in a crystal
structure
• In perfect crystal,
– b  to dislocation line atoms are arranged in

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• Screw dislocation: both vertical and
– spiral planar ramp resulting from shear horizontal planes as
deformation shown in Fig .
– b  to dislocation line

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• From the figure it is clear that the atoms are in
perfect equilibrium in their positions and all bond

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Burger’s vector, b: measure of lattice distortion
lengths are in equilibrium state.

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• If one of the vertical planes

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does not extend to the full edge into the crystal.
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length, but ends in between
within the crystal as shown • Thus, the maximum distortion is centered around
in Fig. it is called edge the edge of the incomplete plane.
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dislocation. • This distortion represents a line imperfection and

is called an edge dislocation.
• Because of dislocation, (i) just above the • Edge dislocations are symbolically represented
discontinuity, the atoms are squeezed and are in by ┴ or ┬.
state of compression and (ii) just below the
discontinuity; the atoms are pulled apart and are
in state of tension.

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 • When the incomplete plane
starts from the top of the
Edge Dislocations
crystal, then it is called
positive edge dislocation and
is represented by “┴”

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(see Fig. a)
Burger’s vector is
• When the incomplete plane perpendicular to dislocation
starts from the bottom of the in edge dislocations.

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crystal, then it is called
negative edge dislocation and
is represented by “┬”
(see Fig. b).

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Screw dislocations
BE Go Shearing of one portion of the crystal with respect to another, by one
atomic distance.
Displacement occurs on either side of the screw dislocation line.
• The screw dislocations are also known as The circular arrow around the line symbolizes the screw dislocation.
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Burger dislocations. As we move away from the dislocation line, the atoms in the upper
portion become more out of registry with those below; at the edge of
• These dislocations arise due to the the crystal, this displacement is one atomic distance
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displacement of atoms in one part of a crystal

relative to the other part
[forming a spiral ramp around the dislocation
line].

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 3.INTERFACIAL DEFECTS
(BOUNDARIES)

 Boundaries could be summarized into three:

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1. Free surfaces: Interfaces between liquids and
gases.

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2. Grain boundaries: Interfaces between crystal
systems having different orientation.
In each crystal system the atoms are arranged
orderly. However, at the boundary there is a

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transition zone which is not alinged with either of

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the crystal systems.

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3.
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Interphase boundaries: similar to grain
Grain Boundaries
boundaries both in shape and behavior.
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However, in these systems there are two or more
materials having different crystal structures.
Multiphase materials having a change in
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physical and/or chemical characteristics will also

have interphase boundaries. (Ex: ice-water)

Twist boundary: Result of a set of screw

dislocations

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 Numerical – 2 - Vacancy Concentration in a Metal
 The grain boundaries have broken bonds, voids, The energy of formation of a vacancy in the aluminum crystal is about 0.70 eV.
vacancies, strained bonds, and interstitial-type atoms. Calculate the fractional concentration of vacancies in Al at room temperature, 300 K,
and very close to its melting temperature 660 °C. What is the vacancy concentration at
 The structure of the grain boundary is disordered, and 660 °C given that the atomic concentration in Al is about 6.0 × 1022 cm-3?
the atoms in the grain boundaries have higher
At 300 K,

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energies thanthose within the grains.

At 660 °C or 933 K,

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 Almost 1 in 6000 atomic sites is a vacancy. The atomic concentration N in Al
is about 6.0 × 1022 cm−3, which means that the vacancy concentration nv at
660 °C is

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 The mean vacancy separation (on the order of nv −1∕3) at 660 °C is therefore

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roughly 5 nm.
 The mean atomic separation in Al is ∼0.3 nm (∼N−1∕3), so the mean
separation between vacancies is only about 20 atomic separations

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Numerical 3- Vacancy Conc. in a Semiconductor

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The energy of vacancy formation in the Ge crystal is about 2.2 eV. Calculate the
fractional concentration of vacancies in Ge at 938 °C, just below its melting
temperature. What is the vacancy concentration given that the atomic mass Mat
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and density ρ of Ge are 72.64 g mol−1 and 5.32 g cm−3, respectively?
 At 300 K,
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 Number of Ge atoms per unit volume is

 at 938 °C,

 Only 1 in 109 atoms is a vacancy.

 A better calculation would also consider the decrease in the atomic
concentration N with temperature (due to the expansion of the crystal).
 The final nv is still about 3 × 1013 cm−3.

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