Electronic structure of LaCuO3: X-ray absorption fine structure theoretical analysis

Oxygen K-edge and copper L-2,L-3-edge X-rap absorption spectra of LaCuO3 ha ve been analyzed theoretically on the basis of a full multiple scattering f ormalism in the real space. Combined oxygen It-edge and Cu L-3-edge XANES i s shown to be a useful tool for the study of the electronic structure of La CuO3. The full multiple scattering approach is found to be successful to an alyze experimental oxygen K-edge XANES in LaCuO3, while the single scatteri ng approximation is not valid in this case. IL is found that unoccupied oxy gen p-states interact with Cu 3d ones in a specific resonant manner.