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

1992-08-15
Erkoç, Şakir
HALICIOGLU, T
TILLER, WA
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.