Q.R. Huang, Ho-Cheol Kim, et al.
Macromolecules
Paper
Modeling solid-state chemistry: Interatomic potentials for multicomponent systems
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. © 1989 The American Physical Society.
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