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Valence electronic structure of alkalis adsorbed on free-electron like and transition metals
Authors:JP Muscat  DM Newns
Institution:Department of Mathematics, Imperial College, London SW7 2BZ, UK
Abstract:Application of a simple wave function-matching technique is made to the problem of alkali adsorption on free-electron like substrates, giving in particular an estimate of the width of the resonance at a given adatom-substrate separation, which is then compared to existing first-principles calculations. The model is then applied to the alkali/transition-metal problem, thus assuming the non-importance of the transition-metal d-bands relative to their sp-bands. The results indicate a fair amount of hybridization between the ns and np valence levels of the alkali adatom.
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