Ab initio potential for the He-Ag(110) interaction investigated using grazing-incidence fast-atom diffraction

Abstract

Experimental diffraction patterns produced by grazing scattering of fast helium atoms from a Ag(110) surface are used as a sensitive tool to test an ab initio potential model derived from accurate density-functional theory (DFT) calculations. The scattering process is described by means of the surface eikonal approximation, which is a distorted-wave method that includes the quantum interference between contributions coming from different projectile paths, taking into account the complete corrugation of the three-dimensional projectile-surface potential. A fairly good agreement between the theoretical and experimental momentum distributions is found for incidence along different low-indexed crystallographic directions. This agreement is indicative of the quality of the DFT potential. The effective corrugation of the interaction potential across the incidence channel is also investigated.