Electronic structure of
- 15 April 1993
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 47 (16) , 10927-10930
- https://doi.org/10.1103/physrevb.47.10927
Abstract
We analyze the experimental core-level photoemission and x-ray absorption (XA) spectra of in terms of an Anderson-impurity Hamiltonian including the band-structure effects of the oxygen sublattice and show that the XA results unambiguously indicate a negative value of the charge-transfer energy Δ. We also perform mean-field calculations for the electronic structure for the edge-shared one-dimensional lattice of within the multiband Hubbard Hamiltonian and show that the origin of the insulating nature lies in band-structure rather than correlation effects, and that the gap has a pd-p character.
Keywords
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