AB-INITIO RESULTS FOR THE ADIABATIC ATOM-SURFACE INTERACTION FOR HELIUM AND NEON ON A SIMPLE METAL

Citation
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
Citations number
22
Categorie Soggetti
Chemistry Physical
Journal title
ISSN journal
00396028
Volume
364
Issue
2
Year of publication
1996
Pages
595 - 599
Database
ISI
SICI code
0039-6028(1996)364:2<595:ARFTAA>2.0.ZU;2-8
Abstract
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.