Theory for the electronic structure at the surface of transition metal alloys

Abstract

A tight binding theory for d electrons at the surface of transition metal alloys which play an important role in catalysis is presented. An atomic layer dependent electronic self energy due to atomic disorder scattering is introduced and determined by using the continued fraction method and by using the Bethe-Peierls approximation extension on the coherent potential approximation. The authors also discuss s-d hybridization at the surface, and show how the electronic disturbance at the surface due to adatoms, can be determined.