SIMULATION CALCULATIONS FOR GOLD CLUSTERS ON THE GAAS(110) SURFACE

ERKOC S., HALICIOGLU T., TILLER W.

SURFACE SCIENCE, vol.274, no.3, pp.359-362, 1992 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 274 Issue: 3
  • Publication Date: 1992
  • Doi Number: 10.1016/0039-6028(92)90840-3
  • Journal Name: SURFACE SCIENCE
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Page Numbers: pp.359-362
  • Middle East Technical University Affiliated: No

Abstract

Energy- and structure-related properties of small gold clusters deposited on the GaAs(110) surface were investigated in this work using a molecular dynamics procedure. A recently developed potential energy function based on two- and three-body interactions was employed in calculating energies and forces. These calculations produced some consistent results with experiments. The three-body interactions involving As atoms in particular, were found to play an important role in determining favorable binding sites for deposited gold atoms.