Abstract
The authors consider Shockley-type surface states (SSS) in substitutionally disordered alloys. For this purpose the Green function for the semi-infinite system is obtained by matching the bulk Korringa-Kohn-Rostoker coherent potential approximation (KKR-CPA) Green function with the free-electron Green function on the bounding surface.The formalism is applied to calculate binding energies and disorder induced smearings of the Y-centred SSS on the (110) surface and the Gamma -centred SSS on the (111) surfaces of Cu, Cu90Al10, Cu70Zn30, and Cu90Ge10. Their theoretical predictions with regard to changes in the binding energy and the disorder induced smearing in Cu90Al10 where corresponding angle-resolved photoemission experiments are available for comparison are in reasonable accord with measurements. Their computations indicate that the binding energy of the SSS in Cu-based alloys will generally increase with increasing electron/atom (e/a) ratio.
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