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Journal Articles

Electronic structure of BaTiO $_{3}$ using resonant X-ray emission spectroscopy at the Ba-L $_{3}$ and Ti K absorption edges

Yoshii, Kenji; Yoneda, Yasuhiro; Jarrige, I.*; Fukuda, Tatsuo; Nishihata, Yasuo; Suzuki, Chikashi; Ito, Yoshiaki*; Terashima, Takahito*; Yoshikado, Shinzo*; Fukushima, Sei*

Journal of Physics and Chemistry of Solids, 75(3), p.339 - 343, 2014/03

https://doi.org/10.1016/j.jpcs.2013.10.002

Times Cited Count：10 Percentile：41.9(Chemistry, Multidisciplinary)

We have studied the electronic properties of ferroelectric BaTiO $_{3}$ using two complementary bulk-sensitive spectroscopic probes, resonant X-ray emission spectroscopy (RXES) and X-ray absorption spectroscopy in the partial fluorescence mode (PFY-XAS). Contrary to a previous study, we found no temperature change of a PFY-XAS spectrum at the Ba L $_{3}$ edge between room temperature and 150 $^{circ}$ C. This result is not supportive of the possible presence of the displacement around Ba $^{2+}$ at the Curie temperature. RXES spectra were measured at the Ti K edge for BaTiO $_{3}$ , along with SrTiO $_{3}$ and La-doped metallic SrTiO $_{3}$ . The photon energy of the emission peak is found to be nearly constant throughout the absorption edge for all three compounds. We deduce the Ti 3d states to have a delocalized character, in contrast with the Ba 5d states, a property which is consistent with the proposed scenario of the formation of electric dipoles in BaTiO $_{3}$ .

JAEA Reports

Introduction of assistive devices for neutron scattering experiments

Shimojo, Yutaka; Ihata, Yoshiaki; Kaneko, Koji; Takeda, Masayasu

JAEA-Testing 2012-005, 63 Pages, 2013/02

JAEA-Testing-2012-005.pdf:11.94MB

Taking an advantage of high penetration capability of neutron, neutron scattering experiments can be performed under various sample environment, such as low (high) temperature, pressure, magnetic field and stress, and those complex conditions. To this aim, a number of sample environment accessories, refrigerators, furnaces, pressure cells, superconducting magnets are equipped in JRR-3 to be used for experiments. In this document, all available equipment in both JRR-3 reactor hall and guide hall are summarized. We hope this document would help neutron scattering users to perform effective, and excellent experiments.

Journal Articles

Probing the Ba 5d states in BaTiO $_{3}$ and BaSO $_{4}$ ; A Resonant X-ray emission study at the Ba-L $_{3}$ edge

Yoshii, Kenji; Jarrige, I.; Suzuki, Chikashi; Matsumura, Daiju; Nishihata, Yasuo; Yoneda, Yasuhiro; Fukuda, Tatsuo; Tamura, Kazuhisa; Ito, Yoshiaki*; Mukoyama, Takeshi*; et al.

Journal of Physics and Chemistry of Solids, 73(9), p.1106 - 1110, 2012/09

https://doi.org/10.1016/j.jpcs.2012.04.009

Times Cited Count：11 Percentile：44.07(Chemistry, Multidisciplinary)

We have directly probed the Ba 5d states in the ferroelectric barium titanate BaTiO $_{3}$ using resonant X-ray emission spectroscopy (RXES) and X-ray absorption spectroscopy in the partial fluorescence mode (PFY-XAS) at the Ba-L $_{3}$ edge. The results are compared with those of the non-ferroelectric BaSO $_{4}$ . While the RXES spectra point to a localized character for the Ba 5d states in both compounds, the main peak of the PFY-XAS spectrum, corresponding to the dipolar transitions from 2p to 5d, is found to be significantly broader for BaTiO $_{3}$ than for BaSO $_{4}$ . On the basis of band structure calculations, this broadening is ascribed to strong hybridization between the unoccupied Ba 5d and O 2p states in the ferroelectric. This suggests that the hybridization between the conduction states of the Ba $^{2+}$ and O $^{2-}$ ions, and not only Ti $^{4+}$ and O $^{2-}$ , plays a central role in determining the electronic structure of BaTiO $_{4}$ .

Journal Articles

Resonant inelastic X-ray scattering at Ba-L $_{3}$ edge in BaTiO $_{3}$

Yoshii, Kenji; Jarrige, I.; Matsumura, Daiju; Nishihata, Yasuo; Suzuki, Chikashi; Ito, Yoshiaki*; Mukoyama, Takeshi*; Tochio, Tatsunori*; Shinotsuka, Hiroshi*; Fukushima, Sei*

Japanese Journal of Applied Physics, 50(9), p.09NE03_1 - 09NE03_4, 2011/09

https://doi.org/10.1143/JJAP.50.09NE03

Times Cited Count：2 Percentile：9.73(Physics, Applied)

Resonant X-ray inelastic scattering experiments have been performed at the Ba-L $_{3}$ edge in ferroelectric BaTiO $_{3}$ using synchrotron radiation at the BL15XU of SPring-8. An X-ray absorption spectrum of this material was found to be broader than non-ferroelectric BaSO $_{4}$ . Molecular orbital calculations showed the formation of Ba-O bands in BaTiO $_{3}$ , suggesting an important role of the Ba-O hybridization in the ferroelectric transition of this material. X-ray emission spectra at the edge showed a localized character of Ba-5d orbitals in BaTiO $_{3}$ in spite of the hybridization with O-3p. A few possible applications of the measurement will be also discussed.

Oral presentation

Microscopic structure of ion irradiated materials by TIARA

Yoneda, Yasuhiro; Nishihata, Yasuo; Abe, Hiroshi; Uchida, Hirohisa*; Matsumura, Yoshihito*; Takeuchi, Mitsuaki*; Tanakamaru, Tempei*; Shinohara, Yoshiaki*

no journal, ,

The material group that is called smart materials of ferroelectrics, magneto-strictive materials, shape-memory alloys, and hydrogen-storage materials can control physical properties by the elastic strain caused in the crystal. Because the irradiation by the ion beam and the electron beam can efficiently change the elastic strain in the crystal, it is efficient measures to the characteristic modification of a smart material. In this study group, pair-distribution function (PDF) was applied as an new visualization techniques of the crystallographic structure of the irradiation material. It examined whether the irradiation effect of smart materials was extractive by the PDF analysis.

Oral presentation

Sample environment equipment for neutron scattering experiments at JRR-3

Shimojo, Yutaka; Ihata, Yoshiaki; Takeda, Masayasu; Kaneko, Koji

no journal, ,

Oral presentation

Probing the Ba 5d states in BaTiO $_{3}$ and BaSO $_{4}$ ; A Resonant X-ray emission study at the Ba-L $_{3}$ edge

Yoshii, Kenji; Jarrige, I.; Matsumura, Daiju; Nishihata, Yasuo; Suzuki, Chikashi; Ito, Yoshiaki*; Mukoyama, Takeshi*; Tochio, Tatsunori*; Shinotsuka, Hiroshi*; Fukushima, Sei*

no journal, ,

We have directly probed the Ba 5d states in the ferroelectric BaTiO $_{3}$ by resonant X-ray emission spectroscopy (RXES) and X-ray absorption spectroscopy in the partial fluorescence mode (PFY-XAS) at the Ba-L $_{3}$ edge. The results are compared with those of the non-ferroelectric barium sulfate BaSO $_{4}$ . While the RXES spectra point to a localized character for the Ba 5d states in both compounds, the main peak of the PFY-XAS spectrum is found to be significantly broader for BaTiO $_{3}$ than for BaSO $_{4}$ . On the basis of band structure calculations, this broadening is ascribed to strong hybridization between the unoccupied Ba 5d and O 2p states in the ferroelectric phase. This suggests that the hybridization between the conduction states of the Ba $^{2+}$ and O $^{2-}$ ions, and not only Ti $^{4+}$ and O $^{2-}$ , plays some roles in the occurrence of ferroelectricity in BaTiO $_{3}$ .

Oral presentation

Cold neutron triple-axis spectrometer LTAS, restoration and upgrade

Kaneko, Koji; Yamauchi, Hiroki; Shimojo, Yutaka; Ihata, Yoshiaki; Osakabe, Toyotaka; Kubota, Masato; Wakimoto, Shuichi; Takeda, Masayasu

no journal, ,

no abstracts in English

Oral presentation

Electronic structure observation of BaTiO $_{3}$ using resonant X-ray emission at Ba L $_{3}$ and Ti K edges

Yoshii, Kenji; Yoneda, Yasuhiro; Jarrige, I.*; Fukuda, Tatsuo; Nishihata, Yasuo; Suzuki, Chikashi; Ito, Yoshiaki*; Yoshikado, Shinzo*; Fukushima, Sei*

no journal, ,

We have studied the electronic properties of the ferroelectric barium titanate BaTiO $_{3}$ using resonant X-ray emission spectroscopy (RXES) and X-ray absorption spectroscopy in the partial fluorescence mode (PFY-XAS) at the Ba L $_{3}$ and Ti K absorption edges. Contrary to a previous study, we found no fine structure in the pre-edge area of the PFY-XAS spectrum at the Ba L3 edge, and no temperature-induced spectral change was observed across the Curie temperature (130 $^{circ}$ C). This result is not supportive of the possible presence of the displacement around Ba $^{2+}$ at the Curie temperature. RXES spectra were measured at the Ti K edge. The photon energy of the emission peak is found to be nearly constant throughout the absorption edge for all three compounds. We deduce the Ti 3d states to have a delocalized character, in contrast with the Ba 5d states, a property which is consistent with the proposed scenario of the formation of electric dipoles in BaTiO $_{3}$ .

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Electronic structure of BaTiO $_{3}$ using resonant X-ray emission spectroscopy at the Ba-L $_{3}$ and Ti K absorption edges

Introduction of assistive devices for neutron scattering experiments

Probing the Ba 5d states in BaTiO $_{3}$ and BaSO $_{4}$ ; A Resonant X-ray emission study at the Ba-L $_{3}$ edge

Resonant inelastic X-ray scattering at Ba-L $_{3}$ edge in BaTiO $_{3}$

Microscopic structure of ion irradiated materials by TIARA

Sample environment equipment for neutron scattering experiments at JRR-3

Probing the Ba 5d states in BaTiO $_{3}$ and BaSO $_{4}$ ; A Resonant X-ray emission study at the Ba-L $_{3}$ edge

Cold neutron triple-axis spectrometer LTAS, restoration and upgrade

Electronic structure observation of BaTiO $_{3}$ using resonant X-ray emission at Ba L $_{3}$ and Ti K edges