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- W118942004 abstract "Results of studies of the electronic structure of several of the new high Tc oxides are presented. These are determined within the framework of the local density approximation for exchange and correlation. By comparing with results of the ab initio model of potential-induced-breathing (which uses overlapping ionic charge densities) the ionicity of the components of these compounds is determined. Specifically, we argue against an interpretation of Cu2+ in the planes and Cu3+ in the chains in the 1-2-3 materials. We find, in fact, all Cu sites are best described as being closer to the 2+ valence state consistent with the 0 ions being close to a fully 2-state. Calculations of the electron-phonon interaction using standard approaches yields values of Tc and resistivity significantly too small compared with experiment, but we argue that standard approximations are no longer valid in these ionic metals. We emphasize two spectacular successes of electronic structure theory: (1) the predicted anisotropies and carrier signs of the Hall and thermopower tensors are in full agreement with single-crystal data; and (2) we show that the temperature dependence of the resistivity, in particular the linear dependence of resistivity on temperature well below the Debye temperature, which has been termed termed anomalous by many, arises in a straightforward manner from standard electron-phonon theory." @default.
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- W118942004 date "1988-09-26" @default.
- W118942004 modified "2023-09-25" @default.
- W118942004 title "Electronic Structure and High Critical Temperature in Oxide Superconductors" @default.
- W118942004 doi "https://doi.org/10.1021/bk-1988-0377.ch003" @default.
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