TY - JOUR
T1 - Analysis of local environment of Fe ions in hexagonal BaTiO3
AU - Chikada, Shunsuke
AU - Hirose, Kazuyuki
AU - Yamamoto, Tomoyuki
PY - 2010/9
Y1 - 2010/9
N2 - 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.
AB - 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.
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U2 - 10.1143/JJAP.49.091502
DO - 10.1143/JJAP.49.091502
M3 - Article
AN - SCOPUS:78049384262
SN - 0021-4922
VL - 49
JO - Japanese Journal of Applied Physics, Part 1: Regular Papers & Short Notes
JF - Japanese Journal of Applied Physics, Part 1: Regular Papers & Short Notes
IS - 9 PART 1
M1 - 091502
ER -