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Philosophical Magazine A Volume 58, 1988 - Issue 1
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Original Articles

Interatomic potentials for oxides

C. R. A. Catlow Department of Chemistry, University of Keele, Staffordshire ST5 5BG, England
,
C. M. Freeman Department of Chemistry, University of Keele, Staffordshire ST5 5BG, England
,
M. S. Islam Department of Chemistry, University College London, 20 Gordon Street, London, WC1H OAJ, England
,
R. A. Jackson Department of Chemistry, University of Keele, Staffordshire ST5 5BG, England
,
M. Leslie SERC Daresbury Laboratory, Warrington, Cheshire, WA4 4AD, England
&
S. M. Tomlinson Department of Chemistry, University of Keele, Staffordshire ST5 5BG, England
Pages 123-141 | Published online: 20 Aug 2006
 
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Abstract

We review the current status of potential models for oxide materials, with emphasis on the applications of potentials in simulation studies. We pay special attention to transition-metal oxides, silicates and ternary metal oxides. Extensions of potentials beyond the two-body formulation are discussed.

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