Calculated transition-metal surface core-level binding-energy shifts

Abstract

A theoretical treatment is given for the shifts in the core-level binding energies of surface atoms relative to bulk atoms. The theory which relates surface shifts to surface energies is applied to $5d$ elements. The calculated shifts show a strong dependence on the surface structure. The theory accounts in a simple way for the change of the sign of the shift through the series, and the quantitative agreement with recent experiments is good.