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These types of substitutional defects are often referred to as off-center ions. There are two different types of substitutional defects: Isovalent substitution and aliovalent substitution. Isovalent substitution is where the ion that is substituting the original ion is of the same oxidation state as the ion it is replacing.
For example, the defect may result in an ion on its own ion site or a vacancy on the cation site. To complete the reactions, the proper number of each ion must be present (mass balance), an equal number of sites must exist (site balance), and the sums of the charges of the reactants and products must also be equal (charge balance).
In crystallography, a vacancy is a type of point defect in a crystal where an atom is missing from one of the lattice sites. [2] Crystals inherently possess imperfections, sometimes referred to as crystallographic defects. Vacancies occur naturally in all crystalline materials.
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This could ease the theoretical phase diagram generation of multicomponent systems. For alloys containing transition metal elements there is a difficulty in interpretation of the Hume-Rothery electron concentration rule, as the values of e/a values (number of itinerant electrons per atom) for transition metals have been quite controversial for ...
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Such defects may be the result of lattice irregularities or extrinsic substitutional or interstitial impurities, introduced during or after the diamond growth. The defects affect the material properties of diamond and determine to which type a diamond is assigned; the most dramatic effects are on the diamond color and electrical conductivity ...
The diffusion coefficient can also be expressed in terms of enthalpy of migration and entropy of migration of a vacancy, which are the same as for the migration of a substitutional atom: D v = 1 6 α 2 z v exp Δ S m R exp − Δ H m R T {\displaystyle D_{v}={\frac {1}{6}}\alpha ^{2}zv\exp {\frac {\Delta S_{m}}{R}}\exp {\frac {-\Delta H ...