The defect formation may occur internally in solids during synthesis or through reaction with external species added into the solid.
In order to understand the defect formation process we need to write the defect reactions. A solid containing defect can be analoged to a liquid solution in which the solid is considered as solvent and the defects as the solutes.
Here is the rules for writing defect reaction:
1. Mass balance
The defect reaction must balance with respect to the mass, i.e the number of and types of atoms involved in the defect reaction must be the same before and after the defect formation. Vacancies have zero mass
2. Electroneutrality
the compounds are and should remain electrically neutral
3. Ratios of regular lattice site
The ratio(s) of the number of regular cation and anion lattice sites in a crystalline compound is constant
Kroger-Vink notation is convenient for describing a defect and the effective electrical charge relative to the surrounding lattice (Moulson and Herbert, 2003). These are the Kroger-Vink notation concepts:
1. a defect that carries an effective single positive charge bears a superscript dot (.)
2. a defect that carries an effective negative charge bears a superscript prime (')
3. neutral defect have no superscript
If an atom or ion A occupying a site normally occupied by an atom or ion B is written AB. Meanwhile the interstitial ion is denoted as AI.
examples:
VO --> VO. + e'
VO. --> VO.. + e'
VM --> VM. + h*
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