Electronic structure of lanthanum perovskites with 3d transition elements

The systematics of the electronic structure of LaBO3 perovskite oxides, where the B element scans the 3d transition-metal series from Ti to Co, are examined. X-ray photoelectron spectra of valence bands and shallow core states are presented and compared with theoretical molecular cluster and free-ion multiplet models. Self-consistent ionic configurations are obtained from the embedded cluster calculations, which differ from the assumptions of crystal-field theory due to metal-oxygen covalency. The prospect for more rigorous many-electron models is discussed.