Valence electronic structure of alkalis adsorbed on free-electron like and transition metals |
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Authors: | JP Muscat DM Newns |
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Institution: | Department of Mathematics, Imperial College, London SW7 2BZ, UK |
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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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Keywords: | To whom the correspondence should be sent |
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