Abstract
Cu 3d and O 2p electronic states of Cu2O, CuO, and the highT c compound YBa2Cu3O7−δ have been probed by means of high resolution x-ray emission spectroscopy (XES). The CuLα and OKα XES bands are compared in detail with recently reported x-ray photoelectron and ultraviolet photoelectron spectroscopy (XPS and UPS) measurements and densities of states obtained by local density functional (LDF) theory. The XES data show that the hybridization between Cu 3d and O 2p states is completely modified in CuO and YBa2Cu3O7−δ, whered-d correlation energy is large, as compared to LDF predictions. Such is not the case for Cu2O where agreement between theory and experiment is good.
The Cu 3d states are found to be highly localized in YBa2Cu3O7−δ (though less so than in CuO). The O 2p states lie at lower binding energies than in the simpler oxides and are mainly situated above the Cu 3d states. The respective positions of the centre of gravity of the OK α emission bands on an x-ray energy scale indicate that the oxygen sites are less well screened by the O 2p states in the highT c compound. This provides indirect evidence for the presence ofd-like states at the oxygen sites.
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Mariot, J.M., Barnole, V., Hague, C.F. et al. Local electronic structure of Cu2O, CuO and YBa2Cu3O7−δ . Z. Physik B - Condensed Matter 75, 1–9 (1989). https://doi.org/10.1007/BF01313561
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DOI: https://doi.org/10.1007/BF01313561