Theory of Adsorption and Surfactant Effect of Sb on Ag (111)

Details Theory of Adsorption and Surfactant Effect of Sb on Ag (111) Theory of Adsorption and Surfactant Effect of Sb on Ag (111)

1993-07-13

arxiv.org/abs/cond-mat/9307024v1

Physics

Condensed Matter

RevTeX 3.0, 11 pages, 0 figures] 13 July 1993

Scientific paper

10.1103/PhysRevLett.71.2437

We present first-principles studies of the adsorption of Sb and Ag on clean and Sb-covered Ag (111). For Sb, the {\it substitutional} adsorption site is found to be greatly favored with respect to on-surface fcc sites and to subsurface sites, so that a segregating surface alloy layer is formed. Adsorbed silver adatoms are more strongly bound on clean Ag(111) than on Sb-covered Ag. We propose that the experimentally reported surfactant effect of Sb is due to Sb adsorbates reducing the Ag adatom mobility. This gives rise to a high density of Ag islands which coalesce into regular layers.

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