Structures and stabilities of small silicon clusters : Ab initio molecular-orbital calculations of Si7-Si11

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Detail(s)

Original languageEnglish
Pages (from-to)3558-3570
Journal / PublicationJournal of Chemical Physics
Volume118
Issue number8
Publication statusPublished - 22 Feb 2003
Externally publishedYes

Abstract

The structure and relative stability of small silicon clusters was studied using ab initio all-electron molecular-orbital calculations. All-electron molecular-orbital methods with including electron correlation effects in the determination of the cluster geometry was used. It was found that the structures of small clusters were different from the tetrahedral coordination characteristic of bulk silicon.

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