Structural models for intermediate-sized Si clusters

E. Kaxiras, K. A. Jackson

Research output: Contribution to journalArticlepeer-review

13 Scopus citations

Abstract

We have investigated two generic structural models for Si clusters in the size range 20-33 atoms. The first model consists of stacks of puckered six-fold rings, with capping atoms on the two ends. The second model comprises compact structures with as many bulk-like four-fold coordinated atoms as possible. We have found the cohesive energy of the ring structures to be nearly constant as a function of cluster size, while that of the compact structures decreases dramatically with increasing size as more four-fold coordinated atoms are incorporated into the structures. We compare our results with recent experiments which suggest a crossover in stability between two cluster types in the size range studied here.

Original languageEnglish
Pages (from-to)346-348
Number of pages3
JournalZeitschrift für Physik D Atoms, Molecules and Clusters
Volume26
Issue number1
DOIs
StatePublished - Mar 1993

Keywords

  • 31.20.Sy
  • 36.40

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