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Showing 1 to 1 of 1 for “"off-center isovalent substitutional impurities"”.
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Implementation of Kunz-Klein localization in icecap and an application to the problem of off-center isovalent substitutional impurities in alkali halides
Theoretical models of off-center isovalent substitutional impurities in alkali halides are examined. Calculations have been performed on r,j+ in KCI, a representative system known experimentally to exhibit off-center behavior. The potential seen by the Li+ ion in the lattice has been calculated …