Surface Energy of Simple Metals: Self-Consistent Inclusion of the Ion Potential

Abstract

The surface energy for several simple metals is calculated self-consistently with use of a single variational parameter whose optimal value depends on the crystal structure and the surface plane considered. The calculation clearly demonstrates the strong dependence of the electron-density profile at the metal-vacuum interface on the discreteness of the ionic density. The method is as simple numerically as the usual jellium calculations and can probably be applied readily to more complex surface problems.