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- W2024640257 abstract "Photoemission, inverse photoemission and X-ray emission spectra have been calculated using results of a highly precise local density energy band study. Compared to experiment, we find a shift of ∼2 eV to higher binding energy for the Cu-d and the O-pπ bonding states. This shift is attributed to the lack of metallic screening for the Cu-d holes which leaves only charge transfer screening by O ligand electrons. The larger shift of the O-pπ states close to EF compared to those lying lower in energy is attributed to different degrees of localization. By contrast, the lower lying O-pσ bonding states, which show greater itinerant character than the higher lying pπ states, are less affected by relaxation effects." @default.
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- W2024640257 date "1987-10-01" @default.
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- W2024640257 title "Local density theory of X-ray and photoemission from YBa2Cu3O7−δ: The high Tc superconductor" @default.
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- W2024640257 doi "https://doi.org/10.1016/0375-9601(87)90556-1" @default.
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