articleTop 10% cited
Modeling solid-state chemistry: Interatomic potentials for multicomponent systems
Physical review. B, Condensed matter · 1989 · Vol. 39(8) · pp. 5566–5568
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.
Semiconductor materials and interfacesBoron and Carbon Nanomaterials ResearchAdvanced ceramic materials synthesisHeteronuclear moleculeInteratomic potentialMaterials scienceChemical physicsStatistical physicsThermodynamicsPhysical chemistryComputational chemistryPhysicsChemistry
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