Point defects are localized disruptions in otherwise perfect atomic or ionic arrangements in
a crystal structure. Even though we call them point defects, the disruption affects a region
involving several atoms or ions. These imperfections, shown in Figure 4-1, 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.
Figure 4-1 Point defects: (a) vacancy, (b) interstitial atom, (c) small substitutional atom,
(d) large substitutional atom, (e) Frenkel defect, and (f) Schottky defect. All of these defects
disrupt the perfect arrangement of the surrounding atoms.
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4-1 Point Defects 115
Typically, 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. In general, the effect of impurities is
deleterious, whereas the effect of dopants on the properties of materials is useful.
Phosphorus (P) and boron (B) are examples of dopants that are added to silicon crystals
to improve the electrical properties of pure silicon (Si).
A point defect typically involves one atom or ion, or a pair of atoms or ions, and
thus is different from extended defects, such as dislocations or grain boundaries. An important “point” about point
defects is that although the defect occurs at one or two sites,
their presence is “felt” over much larger distances in the crystalline material.
Vacancies A vacancy is produced when an atom or an ion is missing from its normal site in the crystal
structure as in Figure 4-1(a). When atoms or ions are missing (i.e., when
vacancies are present), the overall randomness or entropy of the material increases, which
increases the thermodynamic stability of a crystalline material. All crystalline materials have
vacancy defects. Vacancies are introduced into metals and alloys during solidification, at high
temperatures, or as a consequence of radiation damage. Vacancies play an important role in
determining the rate at which atoms or ions move around or diffuse in a solid material, especially in pure metals. We
will see this in greater detail in Chapter 5.
At room temperature (!298 K), the concentration of vacancies is small, but the
concentration of vacancies increases exponentially as the temperature increases, as shown
by the following Arrhenius type behavior:
(4-1)
where
n
v is the number of vacancies per cm3;
n is the number of atoms per cm3;
Qv is the energy required to produce one mole of vacancies, in cal mol or Joules mol;
R is the gas constant, or ; and
T is the temperature in degrees Kelvin.
Due to the large thermal energy near the melting temperature, there may be as
many as one vacancy per 1000 atoms. Note that this equation provides the equilibrium
concentration of vacancies at a given temperature. It is also possible to retain the concentration of vacancies
produced at a high temperature by quenching the material rapidly.