Analyses of Ne-diffraction data from transition-metal surfaces based on charge-density calculations

Abstract

We evaluate the proportionality constant β for neon in the Esbjerg-Nørskov potential VR(r) = βρ{variant}(r) from experimental data on Ni(110), Ni(113), Cu(110) and Pd(110). Our calculations using overlapping atomic charge densities require that β be material and surface-dependent. Although Ne diffraction is more sensitive to details of corrugation shapes than He, we found it to be insensitive to normal relaxations of the topmost layers. © 1986.