Open Access4 d Electronic structure analysis of ruthenium in the perovskite oxides by Ru K ‐ and L ‐edge XAS
Author(s) -
Kim JongYoung,
Hwang SungHo,
Kim SeungJoo,
Demazeau Gérard,
Choy JinHo,
Shimada Hiromichi
Publication year - 2001
Publication title -
journal of synchrotron radiation
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.172
H-Index - 99
ISSN - 1600-5775
DOI - 10.1107/s0909049500017787
Subject(s) - xanes , extended x ray absorption fine structure , ruthenium , x ray absorption spectroscopy , perovskite (structure) , rietveld refinement , electronic structure , crystallography , chemistry , absorption spectroscopy , k edge , spectral line , ion , inorganic chemistry , materials science , crystal structure , computational chemistry , catalysis , physics , biochemistry , organic chemistry , quantum mechanics , astronomy
The 4d electronic structure of ruthenium in the perovskite oxides, La 2 MRu IV O 6 (M = Zn, Mg, and Li) and Ba 2 YRu V O 6 , 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 e g is mainly affected by neighboring B site cation. The experimental EXAFS spectra in the range of R ≤∼4.5 Å are well reproduced by ab‐initio calculation based on crystallographic data, which supports the long‐range structure presented by Rietveld refinement.