Modeling solid-state chemistry: Interatomic potentials for multicomponent systems

19894,047 citationsJournal Article

Authors

J. Tersoff · IBM Research - Thomas J. Watson Research Center

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.

Topics & Keywords

Semiconductor materials and interfaces Boron and Carbon Nanomaterials Research Advanced ceramic materials synthesis

Publication Details

Published in: Physical review. B, Condensed matter

Volume 39, Issue 8, pp. 5566-5568

DOI: 10.1103/physrevb.39.5566

Field-Weighted Citation Impact: 9.03

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Modeling solid-state chemistry: Interatomic potentials for multicomponent systems

Authors

Abstract

Topics & Keywords

Publication Details