Electronic structure of high-temperature superconductors.
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abstract
The electronic energy bands, local densities of states, and valences have been calculated for La1.85Sr0.15CuO4 and YBa2Cu3O7, with a tight-binding model fitted to previous calculations for La2CuO4. Strong d-state peaks, predicted about 5 eV above the Fermi energy for La, Y, and Ba, should be observable in inverse photoemission, electron energy-loss spectroscopy, and final-state photoemission experiments. 1988 The American Physical Society.