F. Montalenti et al., AB-INITIO RESULTS FOR THE ADIABATIC ATOM-SURFACE INTERACTION FOR HELIUM AND NEON ON A SIMPLE METAL, Surface science, 364(2), 1996, pp. 595-599
We report an ab initio calculation of the adiabatic electronic propert
ies of He and Ne atoms interacting with a jellium (Al-like) surface, i
n the framework of the embedding method and using density functional t
heory in the local density approximation. In particular, attention is
focused on the repulsive atom-surface potential. For incident atoms wi
th initial kinetic energies in the typical experimental range (up to a
bout 200 meV), it is shown that Ne gets closer to the metal than He. T
his is in agreement with the experimental observation of a greater sen
sitivity to the surface electronic structure of Ne than of He, but in
contrast with results obtained by simply applying the effective medium
theory to the Ne/metal system.