Modeling solid-state chemistry: Interatomic potentials for multicomponent systems
J. TersoffIBM Research Division, Thomas J. Watson Research Center, Yorktown Heights, New York 10598
1989en
ABI
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.
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Cited by 20 references