Crystal defects

Thus far it has been tacitly assumed that perfect order exists throughout crystalline materials on an
atomic scale. However, such an idealized solid does not exist; all contain large numbers of various
defects or imperfections. As a matter of fact, many of the properties of materials are profoundly
sensitive to deviations from crystalline perfection; the influence is not always adverse, and often
specific characteristics are deliberately fashioned by the introduction of controlled amounts or
numbers of particular defects. Crystalline defect refers to a lattice irregularity having one or more
of its dimensions on the order of an atomic diameter. Classification of crystalline imperfections is
frequently made according to geometry or dimensionality of the defect.

Figure1 Two-dimensional representations of a vacancy and a self-interstitial.

Effect of crystal defects:

The defects influence the properties of the solids in the following different ways:

➢ The defects may scatter conduction electrons in a metal, increasing its electrical resistance
by several percent in many metals and much more in alloys.
➢ Some defects, even if present sparingly, decrease the strength of the crystal.
➢ Pure salts having impurities and imperfection are often coloured.
➢ Hysteresis loss of ferromagnets. Those properties which are strongly sensitive to the state
of perfection of the crystal are called structure sensitive properties.

Classification of defects: The term defect of imperfection denotes a state of the lattice in which
the atomic arrangement has departed from regularity. There are different kinds of defects because
there is only one way to be perfect but there are numerous ways to be imperfect.

1. Point defects:
a) Interstitial atom b)Vacancy or Schottkey defect
 c) Frenkel defect d) Substitutional impurity atom
2. Line defects:
a) Edge dislocation b) Screw dislocation
3. Plane defects or Surface defects:
a) Grain boundaries b) Tilt boundaries
c) Twin boundaries d) Stacking fault

4. Volume defects:
a) Large voids b) cracks

Point defects: If the deviation from regularity is confined to a very small region of only about a
few lattice constants, it is called a point defect. We can have the following types of point defects:

Interstitial atom: An interstitial defect arises when an atom occupies a definite position in the
lattice that is not normally occupied in the perfect crystal. In this case there is present an extra
atom somewhere in the interstice of the lattice but not on regular lattice sites. The interstitial atom
may be either a normal atom of the crystal or a foreign atom. Interstitialcy produces atomic
distortion because interstitial atom tends to push the surrounding atoms further apart, unless the
interstitial atom is smaller than the rest of the atoms in the crystal.

Vacancy or Schottkey defect: An empty site of an atom in a crystal is called vacancy. This is a
defect in which an atom or ion is found to be missing from its correct position. Vacancy may occur
as a result of imperfect packing during the crystallization or they may arise from thermal vibrations
of atoms at elevated temperatures, because as the thermal energy is increased there is a probability
that individual atoms will jump out of their position of lowest energy.
Schottkey defect is closely related to vacancies. It is formed when an atom or an ion is removed
from a normal site and replaced in an average position on the surface of the crystal. In other words,
when vacancies are created by movements of atoms from positions inside the crystal to positions
on the surface of the crystal, a Schottkey defect is said to have been formed.

In ionic crystals, formation of point imperfections is said to the requirement that the overall
electrical neutrality is maintained. A pair of one cation and one anion can be missing from an
ionic crystal.

Frenkel defect: When an atom or ion leaves it normal site and is found to occupy another
position in the interstice we get a Frenkel defect. In this case two imperfections are created- an
interstitial atom and a vacancy.

The Frenkel Defect in a Molecule

The Frenkel Defect explains a defect in the molecule where an atom or ion (normally the cation)
leaves its own lattice site vacant and instead occupies a normally vacant site. As depicted in the
picture above, the cation leaves its own lattice site open and places itself between the area of all
the other cations and anions. This defect is only possible if the cations are smaller in size when
compared to the anions.

Substitutional impurity atom: The presence of a foreign atom in the lattice. It may be present at
any interstitial position, or at any substitutional position i.e., in place of any regular lattice site. In
the latter case it is assumed to have the same valence shell configuration as that of the atom which
is replaced. There are two types of impurity defects.

Substitutional impurity: A substitutional impurity refers to a foreign atom that substitutes for or
replaces a parent atom. In ionic solids e.g. in NaCl, the substitution of Na+ by Li+ produces a
substitutional impurity. In semiconductor technology, aluminum and phosphorous doped in silicon
are substitutional impurities in the crystal. A controlled addition of impurity to a very pure crystal
is the basis of producing many electronic devices.
Interstitial impurity: An Interstitial impurity is a small-sized atom occupying the void space in
the parent crystal without dislodging any of the parent atoms from their sites. An atom can enter
the interstitial or void space only when it is substantially smaller than the parent atom.

In FCC iron, the atomic radius of an iron atom is 0.255 nm. Carbon atoms with an atomic radius
of 0.0777 nm can occupy the octahedral void spaces in FCC lattices as interstitial impurities.

Substitutional impurity interstitial impurity

2) Line defects: This is another type of defect, the example of which is the dislocation.
Dislocations are linear defects around which some of the atoms of the crystal lattice are misaligned.
There are two basic types of dislocations, the edge dislocation and the screw dislocation. "Mixed"
dislocations, combining aspects of both types, are also common.

Edge dislocation: A dislocation is a linear or one-dimensional defect around which some of the
atoms are misaligned. One type of dislocation is represented in Figure: an extra portion of a plane
of atoms, or half-plane, the edge of which terminates within the crystal.
This is termed an edge dislocation; it is a linear defect that centers on the line that is defined along
the end of the extra half-plane of atoms. This is sometimes termed the dislocation line, which, for
the edge dislocation in Figure, is perpendicular to the plane of the page.

Within the region around the dislocation line, there is some localized lattice distortion. The atoms
above the dislocation line in Figure are squeezed together, and those below are pulled apart; this
is reflected in the slight curvature for the vertical planes of atoms as they bend around this extra
half-plane.

However it was created, the edge dislocation in Fig. has the property that it defines an element of
slip, b, where the vector b is called the Burgers vector of the dislocation. The magnitude of this
distortion decreases with distance away from the dislocation line; at positions far removed, the
crystal lattice is virtually perfect.

Sometimes the edge dislocation in Figure is represented by the symbol ┴ which also indicates the
position of the dislocation line. An edge dislocation may also be formed by an extra half-plane of
atoms that is included in the bottom portion of the crystal; its designation is a ┬ .
 Burger’s Vector, b: The Burger’s vector indicates how much and in what direction the lattice
above the slip plane appears to have been shifted with respect to the lattice below the slip plane.
The Burger;s vector is perpendicular to the edge dislocation. Burger’s vector marks the magnitude
and direction of the strain component of dislocation.

Determining the Burger’s Vector, b: The Burger’s circuit is formed by proceeding through the
undisturbed region surrounding a dislocation in steps which are integral multiples of a lattice
translation. The loop is completed by going an un equal number of translations in a positive sense
and negative sense in a plane normal to the dislocation line as shown in fig.

Burger’s circuit
Screw dislocation: Another type of dislocation, called a screw dislocation, may be thought of as
being formed by a shear stress that is applied to produce the distortion shown in Figure a: the
upper front region of the crystal is shifted one atomic distance to the right relative to the bottom
portion.

The atomic distortion associated with a screw dislocation is also linear and along a dislocation
line, line AB in Figure b. The screw dislocation derives its name from the spiral or helical path or
ramp that is traced around the dislocation line by the atomic planes of atoms. Sometimes the
symbol is used to designate a screw dislocation.

Most dislocations found in crystalline materials are probably neither pure edge nor pure screw, but
exhibit components of both types; these are termed mixed dislocations. All three dislocation types
are represented schematically in Figure; the lattice distortion that is produced away from the two
faces is mixed, having varying degrees of screw and edge character.
Differences between edge dislocation and screw dislocation

Edge Dislocation Screw Dislocation

An edge of an atomic plane is formed internal Only a distortion of the lattice cells in the
to the crystal. immediate vicinity is produced
The burger’s vector of an edge dislocation is The Burger’s vector of a screw dislocation is
perpendicular to the dislocation line and lies parallel to the dislocation line.
in the slip plane
An edge dislocation moves ( in its slip plane) A screw dislocation moves ( in the slip plane)
in the direction of the burger’s vector. in a direction perpendicular to the Burger’s
vector
An edge dislocation involves an extra row of In the screw dislocation, the distortion
atoms either above (+ve sign) or below (-ve follows a helical or screw path. The pitch of
sign) the slip plane. the screw maybe left-handed or right-handed.
Symbol: ┴ or ┬ Symbol: or

The forces required to form and to move an The forces required to form and to move a
edge dislocation are smaller in their values. screw dislocation are somewhat greatr than
those required to initiate an edge dislocation.
Speed of movement of an edge dislocation is Speed of movement of a screw dislocation is
greater than that of a screw dislocation. less than that of an edge dislocation.
The edge dislocation is particularly useful in Screw dislocation is specially useful in
explaining slip in plastic flow during explaining crystal growth as well as slip in
mechanical working. plastic deformation.