ISSN:
1573-4803
Source:
Springer Online Journal Archives 1860-2000
Topics:
Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
Notes:
Abstract Atomistic simulation techniques have been used to calculate defect energies for a range of trivalent cation impurities in MgO single crystals. From these, values of the association energies have been estimated for impurity-vacancy aggregates ranging in size from simple impurityvacancy monomers, containing one impurity ion, to large clusters containing up to 24 impurity ions. For the MgO:Cr3+ system, these energies have been incorporated in a mass-action analysis and predictions made of the dependence of the equilibrium distribution of defects on temperature and on the nominal concentration of the dopant.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF00547457
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