Modeling solid-state chemistry: Interatomic potentials for multicomponent systems

This is the authors' abstract. We don't add key points for this paper.

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.