Local structure in Fe-doped BaTiO3 studied by X-ray fluorescence holography and extended X-ray absorption fine structure

Oda T, Kimura K, Matsuo H, Tajiri H, Happo N, Sekhar H, Moriguchi K, Stellhorn JR, Kraft V, Takabayashi Y, Masai H, Webber KG, Noguchi Y, Hayashi K (2026)

Publication Type: Journal article

Publication year: 2026

Journal

Japanese Journal of Applied Physics Japan Society of Applied Physics

Book Volume: 65

Article Number: 141001

Journal Issue: 14

DOI: 10.35848/1347-4065/ae810a

Abstract

X-ray fluorescence holography (XFH) and extended X-ray absorption fine structure (EXAFS) measurements were used to investigate local structure around Fe ions in Fe-doped BaTiO3 crystal. XFH-reconstructed atomic images exhibited two notable features: the Ti images showed higher intensities than simulations, whereas the Ba images were significantly blurred. These features were qualitatively reproduced by introducing positional fluctuations of Ba atoms into the simulations, which blur the Ba atomic images and suppress artifacts in the B-site plane. However, the experimental results could not be fully reproduced even with large Ba positional fluctuations, suggesting additional factors such as partial Fe substitution at the Ba site or nanoscale aggregation of Fe. The EXAFS analysis further supports this picture by suggesting a minor contribution from Fe at the Ba site and a weak Fe–Ba correlation. This study provides fundamental insights into how dilute dopants modify local structure and functionality of BaTiO3.

Authors with CRIS profile

Viktoria Kraft Professur für Werkstoffwissenschaften (Funktionskeramik) Kyle Grant Webber Professur für Werkstoffwissenschaften (Funktionskeramik)

Involved external institutions

Shimane University JP Japan (JP) Nagoya Institute of Technology / 名古屋工業大学 Nagoya Kōgyō Daigaku JP Japan (JP) Kumamoto University / 熊本大学 JP Japan (JP) Japan Synchrotron Radiation Research Institute (JASRI) JP Japan (JP) Hiroshima City University / 広島市立大学 JP Japan (JP) National Institute of Advanced Industrial Science and Technology / 産業技術総合研究所 (AIST) JP Japan (JP)

How to cite

APA:

Oda, T., Kimura, K., Matsuo, H., Tajiri, H., Happo, N., Sekhar, H.,... Hayashi, K. (2026). Local structure in Fe-doped BaTiO3 studied by X-ray fluorescence holography and extended X-ray absorption fine structure. Japanese Journal of Applied Physics, 65(14). https://doi.org/10.35848/1347-4065/ae810a

MLA:

Oda, T., et al. "Local structure in Fe-doped BaTiO3 studied by X-ray fluorescence holography and extended X-ray absorption fine structure." Japanese Journal of Applied Physics 65.14 (2026).

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