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@ARTICLE{Clarke:46745,
author = {Clarke, S. and Bihlmayer, G. and Blügel, S.},
title = {{C}hemical effects in rare gas adsorption : {FLAPW}
calculations for {A}g(001) c (2x2)-{X}e},
journal = {Physical review / B},
volume = {63},
number = {8},
issn = {0163-1829},
address = {College Park, Md.},
publisher = {APS},
reportid = {PreJuSER-46745},
pages = {085416},
year = {2001},
note = {Record converted from VDB: 12.11.2012},
abstract = {In order to investigate postulated chemical effects in
adsorption of heavy rare gas atoms, we investigate the
Ag(001)c(2x2)-Xe system using the full-potential linearized
augmented plane-wave method. Adsorption in the on-top site
is found to be favored by 8.6 meV-adsorption in this site
suggests that there is a chemical contribution to the
bonding. The topology of the charge density associated with
the Xe 5p states clearly shows that these stares are
involved in a bonding interaction with the substrate states.
We also show that the extra splitting of the 5p(3/2)
orbitals arises from adsorbate-adsorbate interactions. It is
observed that the spin-orbit interaction drastically alters
the electronic, but not geometric, properties of the
system.},
keywords = {J (WoSType)},
cin = {IFF-IEE},
ddc = {530},
cid = {I:(DE-Juel1)VDB38},
pnm = {Elektronische Struktur von Festkörpern, Oberflächen und
Schichtsystemen},
pid = {G:(DE-Juel1)FUEK52},
shelfmark = {Physics, Condensed Matter},
typ = {PUB:(DE-HGF)16},
UT = {WOS:000167203500082},
doi = {10.1103/PhysRevB.63.085416},
url = {https://juser.fz-juelich.de/record/46745},
}