Energy barriers for diffusion on stepped Rh(111) surfaces

SURFACE SCIENCE

卷:454

Article; Proceedings Paper

Máca, F ; Kotrla, M ; Trushin, OS

关键词: adatoms;    construction and use of effective interatomic interactions;    rhodium;    semi-empirical models and model calculations;    stepped single crystal surfaces;    surface diffusion;   

DOI  :  10.1016/S0039-6028(00)00085-6

来源: Elsevier

【 摘 要 】

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-Guiliope-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). (C) 2000 Elsevier Science B.V. All rights reserved.

【 授权许可】

Free