Charge-state-dependent atomic geometries for isolated metal adatoms on GaAs(110)

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Abstract
Self-consistent tight-binding calculations confirm recent scanning-tunneling-microscope studies of low coverages (Θ∼0.1 monolayer) of Cs and Au on GaAs(110) which found that the Ga site is favored over the As site for isolated neutral adatoms. The calculations extend this result to other metals. However, the As site is predicted to be lower in energy if the adatoms are positively charged as they will be at still lower coverages (Θ∼0.01 monolayer).