Global geometry optimization of silicon clusters described by three empirical potentials

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Detail(s)

Original languageEnglish
Pages (from-to)1442-1450
Journal / PublicationJournal of Chemical Physics
Volume119
Issue number3
Publication statusPublished - 15 Jul 2003
Externally publishedYes

Abstract

The article discusses the global geometry optimization of silicon clusters described by three empirical potentials. The results showed that the global minima obtained based on the basin-hopping method are identical to those reported by using the genetic algorithm, as well as with those by using molecular dynamics. It was also found that for the larger Stillinger-Weber (SW) clusters, the 'bulklike' endohedral atom with tetrahedral coordination starts at n=20.

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