Theory of Adsorption and Surfactant Effect of Sb on Ag (111)
arXiv:cond-mat/9307024 · doi:10.1103/PhysRevLett.71.2437
Abstract
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.
RevTeX 3.0, 11 pages, 0 figures] 13 July 1993
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