A Calculation of the Electronic Structures of Thin Films of Nickel and Iron with a Tight-Binding Model

Abstract

The effects of a surface on the electronic structure of the d band of Ni and Fe are investigated with a tight-binding model for thin films. It is shown how the local density of states for the surface, ρ s ( E ), changes as the thickness of the film increases and that a thin film with a thickness of 5 to 7 layers can be used as a model of semi-infinite crystal for the investigation of the electronic structure near the surface. The local density of states for surface is different considerably from that of the bulk in each case of the (001), (110) and (111) planes. Especially, there is a fairly sharp peak in the case of the (001) plane of Ni which results from surface states. Detailed discussions are given on these surface states.