Abstract
The electronic structure of PrNiO 3 has been studied by photoemission and x-ray absorption spectroscopy and subsequent configuration-interaction calculations on a NiO 6 cluster model. It has been found that the charge-transfer energy Δ is ∼ 1 eV and that the Ni 3d and O 2p orbitals are strongly hybridized in the ground state. We have also performed unrestricted Hartree-Fock calculations on a Ni 3d-O 2p perovskite-type lattice model using the parameters obtained from the cluster-model analysis.
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