Stuffed fullerene structures for medium-sized silicon clusters

J. Zhao, J. Wang, J. Jellinek, S. Yoo, X. C. Zeng

Research output: Contribution to journalArticle

33 Scopus citations

Abstract

The structural properties of medium-sized silicon clusters (Si 40, Si45 and Si50) have been studied using an unbiased global genetic algorithm search incorporated with a tight-binding model, followed by gradient-corrected density functional calculations. Stuffed fullerene cages are obtained as energetically favorite structures. The stuffing/cage ratio (m/n for Sim@Sin) can be understood by a space filling picture. The present results, along with our recent works on SiN (N=27-39) clusters [20], suggest that stuffed fullerene cages are the preferred structural growth pattern of medium-sized silicon clusters.

Original languageEnglish (US)
Pages (from-to)35-37
Number of pages3
JournalEuropean Physical Journal D
Volume34
Issue number1-3
DOIs
StatePublished - Jul 2005

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

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