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Density-Functional Theory Calculations Of Hopping Rates Of Surface Diffusion

PHYSICAL REVIEW B, no. 19 (1998): 13163-13166

Cited: 84|Views23

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surface structuredensity function theorysurface diffusion

Abstract

Using density-functional theory we compute the energy barriers and attempt frequencies for surface diffusion of Ag on Ag(lll) with different lattice constants, and on an Ag adsorbate monolayer on Pt(lll). We find that the attempt frequency is of the order of 1 THz for all the systems studied. This is in contrast to the so-called compensat...More

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C. Ratschand

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M. Scheffler

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