Dissociative valence force field potential for silicon

Donald W. Brenner, Barbara Jane Garrison

Research output: Contribution to journalArticle

61 Scopus citations

Abstract

A procedure for obtaining potentials for covalent solids where many-body terms are important is presented. The potential is based on a variation of the chemically intuitive valence force field formalism. We have incorporated, in a systematic manner, the proper energetics for the dissociation of the solid. For silicon, the model accurately predicts the experimental phonon dispersion relations, cohesive energy, room-temperature Debye-Waller factor, and stabilization energy of the {100} symmetric dimer reconstruction.

Original languageEnglish (US)
Pages (from-to)1304-1307
Number of pages4
JournalPhysical Review B
Volume34
Issue number2
DOIs
StatePublished - Jan 1 1986

All Science Journal Classification (ASJC) codes

  • Condensed Matter Physics

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