Global geometry optimization of silicon clusters described by three empirical potentials

S. Yoo, X. C. Zeng

Research output: Contribution to journalArticle

70 Scopus citations

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.

Original languageEnglish (US)
Pages (from-to)1442-1450
Number of pages9
JournalJournal of Chemical Physics
Volume119
Issue number3
DOIs
StatePublished - Jul 15 2003

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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