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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
Times Cited Count:11 Percentile:43.80(Chemistry, Multidisciplinary)We have directly probed the Ba 5d states in the ferroelectric barium titanate BaTiO using resonant X-ray emission spectroscopy (RXES) and X-ray absorption spectroscopy in the partial fluorescence mode (PFY-XAS) at the Ba-L edge. The results are compared with those of the non-ferroelectric BaSO. 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 than for BaSO. 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 and O ions, and not only Ti and O, plays a central role in determining the electronic structure of BaTiO.
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
Times Cited Count:2 Percentile:9.67(Physics, Applied)Resonant X-ray inelastic scattering experiments have been performed at the Ba-L edge in ferroelectric BaTiO 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. Molecular orbital calculations showed the formation of Ba-O bands in BaTiO, 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 in spite of the hybridization with O-3p. A few possible applications of the measurement will be also discussed.
Suzuki, Chikashi; Tochio, Tatsunori*
Chemical Physics, 340(1-3), p.203 - 210, 2007/11
Times Cited Count:4 Percentile:12.78(Chemistry, Physical)no abstracts in English
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 by resonant X-ray emission spectroscopy (RXES) and X-ray absorption spectroscopy in the partial fluorescence mode (PFY-XAS) at the Ba-L edge. The results are compared with those of the non-ferroelectric barium sulfate BaSO. 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 than for BaSO. 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 and O ions, and not only Ti and O, plays some roles in the occurrence of ferroelectricity in BaTiO.