Electronic Properties of Ultrathind-Band Metal Films with Simple Metal or Vacuum Interfaces

Abstract

The Green's-function method has been used to study the changes in electronic structure of fcc $d$-band metals on going to ultrathin films. Varying the boundary where the electronic wave functions vanish allows an accurate treatment both for a $d$-band metal film embedded in a simple metal and for a $d$-band metal film in vacuum. Calculations for a copper monolayer predict striking changes from bulk behavior, in agreement with photoemission experiments.