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


ERKOC S. , HALICIOGLU T., TILLER W.

SURFACE SCIENCE, cilt.274, ss.359-362, 1992 (SCI İndekslerine Giren Dergi) identifier identifier

  • Cilt numarası: 274 Konu: 3
  • Basım Tarihi: 1992
  • Doi Numarası: 10.1016/0039-6028(92)90840-3
  • Dergi Adı: SURFACE SCIENCE
  • Sayfa Sayıları: ss.359-362

Özet

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.