Electronic structure of dilute impurities near surfaces. An approach to dissolution and segregation energies

Abstract

We present the extension of the electronic structure of bulk substitutional impurity to the surface in the tight-binding model. Self-consistency is assumed as well for the surface as for the impurity potential. The band contribution to the dissolution energy is obtained for Ni(111) surface, versus the valence and the position of the impurity to the surface in a localized potential model. Good agreement with experiment is obtained for $\mathrm{}\left|Z\right|<4\mathrm{}$.