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J. Phys.: Condens. Matter 5 (1993) pp. L443-L448

Segregation and the work function of a random alloy: PdAg(111)

S. Crampin

Institute for Theoretical Physics, Catholic University of Nijmegen, Toernooiveld, NL-6525 ED Nijmegen, The Netherlands

Abstract
Self-consistent parameter-free calculations of the surface electronic structure of a random alloy are used to discuss the composition dependance of the work function (phi) of the PdAg(111) random alloy surface. For crystals with uniform composition profile phi varies almost linearly between the pure metal limits, and in the presence of segregation is found to be a measure of the surface layer composition. Good agreement with measured polycrystalline work functions is found using experimentally determined segregation data. The results are used to understand screening within PdAg alloys and point to possible surface-alloy formation during the growth of Pd on Ag.