Global geometry optimization of silicon clusters described by three empirical potentials

S. Yoo; X. C. Zeng

doi:10.1063/1.1581849

Global geometry optimization of silicon clusters described by three empirical potentials

S. Yoo, X. C. Zeng

Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

74 Citations (Scopus)

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 language	English
Pages (from-to)	1442-1450
Journal	Journal of Chemical Physics
Volume	119
Issue number	3
DOIs	https://doi.org/10.1063/1.1581849
Publication status	Published - 15 Jul 2003
Externally published	Yes

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Publication details (e.g. title, author(s), publication statuses and dates) are captured on an “AS IS” and “AS AVAILABLE” basis at the time of record harvesting from the data source. Suggestions for further amendments or supplementary information can be sent to [email protected].

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N2 - 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.

AB - 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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JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

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Global geometry optimization of silicon clusters described by three empirical potentials

Abstract

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