Non-local-density based self-consistent surface calculations. II. Bimetal interfaces

Publisher Website
Google Scholar
Abstract
For pt.I see ibid., vol.10, p.567 (1977). The effect of a non-local exchange correlation potential on the charge density profile and electrostatic potential near an interface is investigated in the case of a metal-metal junction. A simple jellium model is considered, in which an approximate exchange correlation potential is constructed from the self-energy formalism as modified for interfaces. An extension of the Thomas-Fermi model of the electron gas is used as a first approximation to the self-consistent solution of the problem and the results compared with a self-consistent local-density calculation and some exact results for jellium interfaces. The model gives the correct qualitative features of the interface and at higher metallic densities the quantitative agreement is good.