Modeling solid-state chemistry: Interatomic potentials for multicomponent systems
- 15 March 1989
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 39 (8) , 5566-5568
- https://doi.org/10.1103/physrevb.39.5566
Abstract
A general form is proposed for an empirical interatomic potential for multicomponent systems. This form interpolates between potentials for the respective elements to treat heteronuclear bonds. The approach is applied to C-Si and Si-Ge systems. In particular, the properties of SiC and its defects are well described.Keywords
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