Molecular dynamics simulation of icosahedral Si quantum dot formation from liquid droplets

Kengo Nishio, Tetsuya Morishita, Wataru Shinoda, Masuhiro Mikami

Research output: Contribution to journalArticlepeer-review

16 Citations (Scopus)

Abstract

The present paper reports on molecular dynamics simulations of the formation process of Si quantum dots (Si QDs). Icosahedral Si QDs are formed spontaneously by freezing 274-, 280-, and 323-atom Si droplets. We find that the initialization of pentagonal channels leads into the overall icosahedral structure. We also study the melting behavior of the 280-atom icosahedral Si QD. We find that the melting point is reduced more than 15% compared with that of bulk Si. A possible approach to synthesize icosahedral Si QDs is discussed. The formation of the icosahedral structure could be expected in other systems characterized by tetrahedral bonding network.

Original languageEnglish
Article number245321
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume72
Issue number24
DOIs
Publication statusPublished - Dec 15 2005
Externally publishedYes

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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