First-principles studies of the geometry and energetics of the Si 36 cluster

Q. Sun, Q. Wang, P. Jena, S. Waterman, Yoshiyuki Kawazoe

Research output: Contribution to journalArticlepeer-review

42 Citations (Scopus)

Abstract

The first-principles studies of the geometry and energetics of the Si 36 cluster were performed. Results showed that the tricapped-trigonal-prism unit is not the structural unit for Si 36 , and the stable structure is identified to have a more spherical geometry derived from the stuffed fullerene configurations. The structure was more stable in energy and more spherical in shape as compared to those of TTP wire.

Original languageEnglish
Article number063201
Pages (from-to)632011-632016
Number of pages6
JournalPhysical Review A - Atomic, Molecular, and Optical Physics
Volume67
Issue number6
Publication statusPublished - 2003 Jan 1

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

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