Theoretical study of the first stages of Ni adsorption on Pt(1 1 1)

We have studied the initial stages of Ni adsorption on Pt(1 1 1). Using the tight-binding direct-configurational-averaging method we calculate various ordering interactions. These parameters are used in turn in Monte Carlo simulations to elucidate the expected equilibrium phases for various temperatures and coverages. We find preferential adsorption in hcp sites at low coverage, with a cross-over to fcc growth at increasing deposition. In addition, coexistence of c(2 × 4) and c(2 × 6) phases is observed for a wide range of temperatures and concentrations.