Structure of the Si45 cluster

Daniel A. Jelski, Brian L. Swift, Tapio T. Rantala, Xinfu Xia, Thomas F. George

Research output: Contribution to journalArticleScientificpeer-review

54 Citations (Scopus)


Six structures for the Si43 cluster are compared using a tight-binding model. Two new structures are proposed which appear to be the low-energy isomers and to explain much of the existing experimental data. Cluster reactivity is distinguished from cluster stability, and several reasons are discussed which may lead to a reactive or unreactive species. These criteria are applied to the Si45 isomers, and the results are also correlated with experimental data.

Original languageEnglish
Pages (from-to)8552-8560
Number of pages9
JournalJournal of Chemical Physics
Issue number11
Publication statusPublished - 1991
Externally publishedYes
Publication typeA1 Journal article-refereed

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics


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