Molecular dynamics simulations of self-organized polyicosahedral Si nanowire

Kengo Nishio, Tetsuya Morishita, Wataru Shinoda, Masuhiro Mikami

Research output: Contribution to journalArticlepeer-review

30 Citations (Scopus)

Abstract

A novel polyicosahedral nanowire is spontaneously formed in a series of annealing molecular dynamics simulations of liquid Si inside a nanopore of 1.36 nm in diameter. The polyicosahedral Si nanowire is stable even in a vacuum up to about 77% of the melting temperature of bulk Si. Our structural energy calculations reveal that the polyicosahedral nanowire is energetically advantageous over the pentagonal one for a wire whose diameter is less than 6.02 nm, though the latter has been recently proposed as the lowest energy wire. These results suggest the possibility of the formation of a new stable polyicosahedral Si nanowire.

Original languageEnglish
Article number074712
JournalJournal of Chemical Physics
Volume125
Issue number7
DOIs
Publication statusPublished - 2006
Externally publishedYes

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Fingerprint

Dive into the research topics of 'Molecular dynamics simulations of self-organized polyicosahedral Si nanowire'. Together they form a unique fingerprint.

Cite this