Imperfections in Solids

Imperfections in
Solids
Why Study Imperfections in

Solids?
The properties of some materials are profoundly influenced by
the presence of imperfections. Consequently, it is important to

have a knowledge about the types of imperfections that exist and
the roles they play in affecting the behavior of materials. For
example, the mechanical properties of pure metals experience
significant alterations when alloyed (i.e., when impurity atoms
are added)for example, brass (70% copper30% zinc) is much
harder and stronger than pure copper (Section 7.9). Also,
integrated circuit microelectronic devices found in our
computers, calculators, and home appliances function because of
highly controlled concentrations of specific impurities that are
incorporated into small, localized regions of semiconducting
materials
three basic types of

imperfections:
point defects,
line defects (or dislocations), and
surface defects.
POINT DEFECTS
Point defects are localized disruptions in otherwise
perfect atomic or ionic arrangements in a crystal
structure
These imperfections may be introduced by movement
of the atoms or ions when they gain energy by heating,
during processing of the material, or by the intentional
or unintentional introduction of impurities.
IMPURITIES are elements or compounds that are present from raw

materials or processing. For example, silicon crystals grown in
quartz crucibles contain oxygen as an impurity.
DOPANTS, on the other hand, are elements or compounds that are
deliberately added, in known concentrations, at specific locations in
the microstructure, with an intended beneficial effect on properties
or processing
TYPES OF POINT DEFECTS

1.
VACANCIES
2.
INTERSTITIAL ATOM
3.
SMALL SUBSTITUTIONAL ATOM
4.
LARGE SUBSTITUTIONAL ATOM
5.
FRENKEL DEFECT
6.
SCHOTTKY DEFECT
VACANCIES
A vacancy is produced when an atom or an ion is missing from its
normal site in the crystal structure
The equilibrium number of vacancies for a given quantity of

material depends on and increases with temperature according to
EXAMPLE 1:
The Effect of Temperature on Vacancy Concentrations
Calculate the concentration of vacancies in copper at room
temperature (25C). What temperature will be needed to heat treat
copper such that the concentration of vacancies produced will be
1000 times more than the equilibrium concentration of vacancies at
room temperature? Assume that 20,000 cal are required to produce
a mole of vacancies in copper. The lattice parameter of FCC copper
is 0.36151 nm
EXAMPLE 2
Vacancy Concentrations in Iron
Calculate the theoretical density of iron, and then determine the
number of vacancies needed for a BCC iron crystal to have a
density of 7.874 g cm3. The lattice parameter of iron is 2.866 *10-8
cm. Atomic Weight of Iron is 55.847g/mol
INTERSTITIAL DEFECT
An interstitial defect is formed when an extra atom or
ion is inserted into the crystal structure at a normally
unoccupied position
Interstitial atoms or ions, although much smaller than the atoms or

ions located at the lattice points, are still larger than the interstitial
sites that they occupy; consequently, the surrounding crystal region
is compressed and distorted.
Interstitial atoms such as hydrogen are often present as impurities,
whereas carbon atoms are intentionally added to iron to produce
steel. For small concentrations, carbon atoms occupy interstitial
sites in the iron crystal structure, introducing a stress in the
localized region of the crystal in their vicinity
EXAMPLE 3
Sites for Carbon in Iron
In FCC iron, carbon atoms are located at octahedral sites, which
occur at the center of each edge of the unit cell at sites such as (0,
0, 1 2) and at the center of the unit cell (1 2, 1 2, 1 2). In BCC iron,
carbon atoms enter tetrahedral sites, such as (0, 1 2, 1 4). The
lattice parameter is 0.3571 nm for FCC iron and 0.2866 nm for BCC
iron. Assume that carbon atoms have a radius of 0.071 nm. (a)
Would we expect a greater distortion of the crystal by an interstitial
carbon atom in FCC or BCC iron? (b) What would be the atomic
percentage of carbon in each type of iron if all the interstitial sites
were filled?
SUBSTITUTIONAL DEFECT
A substitutional defectis introduced when one atom or
ion is replaced by a different type of atom or ion. The
substitutional atoms or ions occupy the normal lattice
site. Substitutional atoms or ions may either be larger
than the normal atoms or ions in the crystal structure, in
which case the surrounding interatomic spacings are
reduced, or smaller causing the surrounding atoms to
have larger interatomic spacings.
OTHER POINT DEFECTS

An interstitialcy is created when an atom identical to those at the
normal lattice points is located in an interstitial position. These
defects are most likely to be found in crystal structures having a low
packing factor.
A Frenkel defect is a vacancy-interstitial pair formed when an
ion jumps from a normal lattice point to an interstitial site, leaving
behind a vacancy. Although, this is usually associated with ionic
materials, a Frenkel defect can occur in metals and covalently
bonded materials
A Schottky defect is unique to ionic materials and is commonly

found in many ceramic materials. When vacancies occur in an
ionically bonded material, a stoichiometric number of anions and
cations must be missing from regular atomic positions if electrical
neutrality is to be preserved. For example, one Mg+2 vacancy and
one O-2 vacancy in MgO constitute a Schottky pair. In ZrO2, for one
Zr+4 vacancy, there will be two O-2 vacancies.
DISLOCATION
Dislocations are line imperfections in an otherwise perfect crystal.
They typically are introduced into a crystal during solidification of
the material or when the material is deformed permanently.
3 types:
1.
the screw dislocation,
2.
he edge dislocation, and
3.
the mixed dislocation.
SCREW DISLOCATION
A 1D line defect in which a path spirals around a dislocation line
penetrating through otherwise individual parallel planes
EDGE DISLOCATION
---- A 1D line defect that is the edge of an extra half plane of atoms
within a crystal system
MIXED DISLOCATION
----- have both edge and screw components, with a transition region
between them. The Burgers vector, however, remains the same for
all portions of the mixed dislocation.
BURGERS VECTOR
---- The displacement vector that closes the loop when traversing
an equal number of lattice steps around the defect
---- denoted by b
----- it is parallel in the line of dislocation in screw dislocation and is
perpendicular in the line of dislocation in edge dislocation
Burgers vector in screw

dislocation
Burgers vector in edge dislocation
Example:
Calculate the length of burger vector in copper (FCC crystal
structure)
SURFACE DEFECTS

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Imperfections in

Why Study Imperfections in

the presence of imperfections. Consequently, it is important to

three basic types of

line defects (or dislocations), and

IMPURITIES are elements or compounds that are present from raw

TYPES OF POINT DEFECTS

SMALL SUBSTITUTIONAL ATOM

LARGE SUBSTITUTIONAL ATOM

The equilibrium number of vacancies for a given quantity of

Interstitial atoms or ions, although much smaller than the atoms or

OTHER POINT DEFECTS

A Schottky defect is unique to ionic materials and is commonly

the screw dislocation,

he edge dislocation, and

the mixed dislocation.

Burgers vector in screw

Burgers vector in edge dislocation

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