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Shell-model calculation of defect energies in alkali halides employing crystal-independent interionic potential parameters

Uppal, MK and Rao, CNR and Sangster, MJL (1978) Shell-model calculation of defect energies in alkali halides employing crystal-independent interionic potential parameters. In: Philosophical Magazine A & B, 38 (3). pp. 341-347.

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Abstract

Shell model calculation of defect energies in alkali halides have been carried out using the ion-dependent, crystal-independent potential parameters of Sangster and Atwood (1978). Results indicate that appreciable differences exist between barrier heights for migration of cations and anions. While barrier heights for cations are generally lower than for anions in alkali halides of NaCl structure, the opposite is true in alkali halides of CsCl structure.

Item Type: Editorials/Short Communications
Additional Information: Copyright of this article belongs to Taylor and Francis Group.
Department/Centre: Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Date Deposited: 11 Oct 2010 06:09
Last Modified: 11 Oct 2010 06:09
URI: http://eprints.iisc.ernet.in/id/eprint/32978

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