The chemistry of La on the Si(001) surface

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dc.creatorAshman, Christopher R.
dc.creatorFoerst, Clemens J.
dc.creatorSchwarz, Karlheinz
dc.creatorBloechl, Peter E.
dc.date2004-05-10
dc.date2004-08-30
dc.date.accessioned2026-07-07T02:58:04Z
dc.date.available2026-07-07T02:58:04Z
dc.descriptionThis paper reports state-of-the-art electronic structure calculations of La adsorption on the Si(001) surface. We predict La chains in the low coverage limit, which condense in a stable phase at a coverage of 1/5 monolayer. At 1/3 monolayer we predict a chemically rather inert, stable phase. La changes its oxidation state from La(3+) at lower coverages to La(2+) at coverages beyond 1/3 monolayer. In the latter oxidation state, one electron resides in a state with a considerable contribution from La-d and f states.
dc.description10 pages, 13 figures, 3 tables
dc.identifierhttps://arxiv.org/abs/cond-mat/0405192
dc.identifierhttp://arxiv.org/abs/cond-mat/0405192
dc.identifierPhys.Rev.B 70, 155330 (2004)
dc.identifierdoi:10.1103/PhysRevB.70.155330
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/23926
dc.subjectMaterials Science
dc.titleThe chemistry of La on the Si(001) surface
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