Possible Lowest-Energy Geometry of Silicon Clusters Si21 and Si25

Soohaeng Yoo, Xiao Cheng Zeng, Xiaolei Zhu, Jaeil Bai

Research output: Contribution to journalArticle

74 Scopus citations

Abstract

Possible lowest-energy structures of Si21 and Si25 are found on the basis of the starting structures obtained via the global search for nearly identical low-energy Stillinger?Weber (SW) and modified-SW structures. The fact that the lowest-energy structures are spherical-like may suggest that the prolate-to-spherical-like structural transition for the silicon cluster Sin is likely to occur in the range of 21 < n < 25.

Original languageEnglish (US)
Pages (from-to)13318-13319
Number of pages2
JournalJournal of the American Chemical Society
Volume125
Issue number44
DOIs
StatePublished - Nov 5 2003

ASJC Scopus subject areas

  • Catalysis
  • Chemistry(all)
  • Biochemistry
  • Colloid and Surface Chemistry

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