Face dependent surface energies of simple metals

Abstract

Using a simple ansatz for the screened linear electron gas susceptibility, we obtain the face dependent surfaces energies, [sigma], of the simple metals, through second order. In contrast to results of the first-order Lang-Kohn method and the variational values of Monnier and Perdew, we obtain face dependent [sigma] values consistent with experiment. Our results hinge on two previously neglected considerations: (i) ion induced inhomogeneity of the bulk electron density prior to cleavage and (ii) ion induced electron density inhomogeneity in the surface region after cleavage.