Energy barriers for diffusion on stepped Rh(111) surfaces

Abstract

Energy barriers for different moves of a single Rh adatom in the vicinity of steps on Rh(111) surface are studied with molecular statics. Interatomic interactions are modeled by the semi-empirical many-body Rosato-Guillope-Legrand potential. We calculate systematically barriers for the descent at straight steps, steps with the kink and small islands as well as barriers for diffusion along the step edges. The descent is more probable on steps with a {111} microfacet and near kinks. Diffusion along a step with a {100} microfacet is faster than along a step with a {111} microfacet. We also calculate barriers for diffusion on several surfaces vicinal to Rh(111).