Analysis of local environment of Fe ions in hexagonal BaTiO3

Shunsuke Chikada, Kazuyuki Hirose, Tomoyuki Yamamoto

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18 Citations (Scopus)

Abstract

Fe-doped hexagonal-structured BaTiO3 is synthesized by the conventional solid-state reaction method. The local environment of the Fe ions doped in the synthesized hexagonal BaTiO3 is then investigated by X-ray absorption near edge structure (XANES) measurements and firstprinciples calculations. It is confirmed from the Fe L2,3-edge XANES spectrum that the charge state of the Fe ions in the synthesized specimen is trivalent. By analyzing the Fe K-edge XANES spectrum of the present specimen with the aid of the first-principles calculations, it is found that doped Fe ions are substituted at the Ti site in Ti2O9 groups of face-sharing octahedra in hexagonal BaTiO3.

Original languageEnglish
Article number091502
JournalJapanese journal of applied physics
Volume49
Issue number9 PART 1
DOIs
Publication statusPublished - 2010 Sep

ASJC Scopus subject areas

  • Engineering(all)
  • Physics and Astronomy(all)

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