Cs adsorption on Si(001) surface: ab initio study

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dc.creatorShaltaf, R.
dc.creatorMete, E.
dc.creatorEllialtioglu, S.
dc.date2005-04-05
dc.date2005-11-10
dc.date.accessioned2026-07-07T06:37:39Z
dc.date.available2026-07-07T06:37:39Z
dc.descriptionFirst-principles calculations using density functional theory based on norm-conserving pseudopotentials have been performed to investigate the Cs adsorption on the Si(001) surface for 0.5 and 1 ML coverages. We found that the saturation coverage corresponds to 1 ML adsorption with two Cs atoms occupying the double layer model sites. While the 0.5 ML covered surface is of metallic nature, we found that 1 ML of Cs adsorption corresponds to saturation coverage and leads to a semiconducting surface. The results for the electronic behavior and surface work function suggest that adsorption of Cs takes place via polarized covalent bonding.
dc.description8 pages, 7 figures
dc.identifierhttps://arxiv.org/abs/cond-mat/0504088
dc.identifierhttp://arxiv.org/abs/cond-mat/0504088
dc.identifierPhys. Rev. B 72, 205415 (2005)
dc.identifierdoi:10.1103/PhysRevB.72.205415
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/100465
dc.subjectStrongly Correlated Electrons
dc.titleCs adsorption on Si(001) surface: ab initio study
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