Electron Correlations in the High Tc-Compounds
Superconductivity
2007-05-23 v1 Materials Science
Abstract
Ab-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.
Cite
@article{arxiv.cond-mat/0211230,
title = {Electron Correlations in the High Tc-Compounds},
author = {Gernot Stollhoff},
journal= {arXiv preprint arXiv:cond-mat/0211230},
year = {2007}
}
Comments
8 pages, 1 figure