4d electronic structure analysis of ruthenium in the perovskite oxides by Ru K- and L-edge XAS

The 4d electronic structure of ruthenium in the perovskite oxides, (La2MRuO6)-O-IV (M = Zn, Mg, and Li) and (Ba2YRuO6)-O-V, has been investigated by the Ru K-and L-edge XANES and EXAFS analyses. Such X-ray absorption spectroscopic results clarify that the Ru-IV (d(4)) and Ru-V (d(3)) ions are stabilized in nearly regular O-h site. Comparing the Ru L-edge XANES spectra of perovskites containing isovalent ruthenium, it has been found that the t(2g) state is mainly influenced by A site cation, whereas the eg is mainly affected by neighboring B site cation. The experimental EXAFS spectra in the range of R less than or equal to similar to 4.5 Angstrom are well reproduced by abinitio calculation based on crystallographic data, which supports the long-range structure presented by Rietveld refinement.