Electron Correlations in the High Tc-Compounds

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dc.creatorStollhoff, Gernot
dc.date2002-11-12
dc.date.accessioned2026-07-07T02:48:09Z
dc.date.available2026-07-07T02:48:09Z
dc.descriptionAb-initio correlation results for an idealized high Tc-compound are compared to density functional (DF) calculations for the same system. It is shown that and why the DF-charge distribution is wrong. The largest deficiency arises for the Cu-d(x2-y2)-occupation, originating from strong atomic correlations but mostly from anomalous neighbor Cu-spin correlations. Both features are beyound the range of the homogeneous electron gas approximation underlying the DF-schemes. The ab-initio results also exclude a description of the real system in a Mott-Hubbard scenario, that is mostly chosen in theory.
dc.description8 pages, 1 figure
dc.identifierhttps://arxiv.org/abs/cond-mat/0211230
dc.identifierhttp://arxiv.org/abs/cond-mat/0211230
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/20286
dc.subjectSuperconductivity
dc.subjectMaterials Science
dc.titleElectron Correlations in the High Tc-Compounds
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