A fully ab initio approach to inelastic atom-surface scattering

Abstract

We introduce a universal and fully ab initio theory for inelastic scattering of any atom from any surface, and apply the theory to helium scattering from Nb(100). The key aspect making our approach universal is a direct first-principles evaluation of the scattering atom-electron vertex. By correcting misleading results from current state-of-the-art theories, this fully ab initio approach will be critical in guiding and interpreting experiments that adopt next-generation, non-destructive atomic beam scattering.Comment: 6 pages, 5 figure