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 the Rh(111) surface are studied with molecular statics. Interatomic interactions are modeled by the semi-empirical many-body Rosato–Guillope–Legrand potential. We systematically calculated the barriers for the descent at straight steps, steps with a 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).