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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, 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 r...

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Published in:Journal of synchrotron radiation 2001-03, Vol.8 (2), p.722-724
Main Authors: Kim, Jong-Young, Hwang, Sung-Ho, Kim, Seung-Joo, Demazeau, Gérard, Choy, Jin-Ho, Shimada, Hiromichi
Format: Article
Language:English
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Summary: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 ≤∼4.5 Å are well reproduced by ab‐initio calculation based on crystallographic data, which supports the long‐range structure presented by Rietveld refinement.
ISSN:1600-5775
0909-0495
1600-5775
DOI:10.1107/S0909049500017787