Energy barriers for diffusion on stepped Pt(111) surface
F. Maca, M. Kotrla, O. S. Trushin
Abstract
We performed molecular statics calculations of energy barriers for adatom moves in the vicinity of steps on Pt(111) surface. We used the semi-empirical many-body Rosato--Guillope--Legrand potential and we systematically calculated barriers for descent of straight steps, steps with a kink and small islands as well as barriers for diffusion along the step edges. We confirmed that the lowest barrier for descent is for an exchange process near kink's or island's corner on a step with a 111 microfacet. Diffusion along a step with a 111 microfacet is faster than along a step with a 100 microfacet. We also calculated barriers for diffusion on several surfaces vicinal to Pt(111). Our results are compared with previous calculations.
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