title: 4d Electronic structure analysis of ruthenium in the perovskite oxides by Ru K- and L-edge XAS.
abstract: The 4d electronic structure of ruthenium in the perovskite oxides, La2MRuIVO6 (M = Zn, Mg, and Li) and Ba2YRuVO6, has been investigated by the Ru K-and L-edge XANES and EXAFS analyses. Such X-ray absorption spectroscopic results clarify that the RuIV (d4) and RuV (d3) ions are stabilized in nearly regular Oh site. Comparing the Ru L-edge XANES spectra of perovskites containing isovalent ruthenium, it has been found that the t2g 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 < or = approximately 4.5 A are well reproduced by ab-initio calculation based on crystallographic data, which supports the long-range structure presented by Rietveld refinement.
authors.affiliation: National Nanohybrid Materials Laboratory, School of Chemistry and Molecular Engineering, Seoul National University, Korea.
authors.forename: J Y
authors.initials: JY
authors.lastname: Kim
authors.forename: S H
authors.initials: SH
authors.lastname: Hwang
authors.forename: S J
authors.initials: SJ
authors.lastname: Kim
authors.forename: G
authors.initials: G
authors.lastname: Demazeau
authors.forename: J H
authors.initials: JH
authors.lastname: Choy
authors.forename: H
authors.initials: H
authors.lastname: Shimada