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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.
Bastug, T.; Hirata, Masaru; Varga, S.*; Fricke, B.*; Erkoc, S.*; Mukoyama, Takeshi*
Advances in Quantum Chemistry, Volume 37, p.353 - 364, 2001/00
no abstracts in English
Hirata, Masaru; Bastug, T.*; Sekine, Rika*; Onoe, Jun*; Nakamatsu, Hirohide*; Mukoyama, Takeshi*
JAERI-Review 99-008, 29 Pages, 1999/03
no abstracts in English
Kurihara, Masayoshi*; Hirata, Masaru; Sekine, Rika*; Onoe, Jun*; Nakamatsu, Hirohide*; Mukoyama, Takeshi*;
Journal of Alloys and Compounds, 283, p.128 - 132, 1999/00
Times Cited Count:10 Percentile:59.51(Chemistry, Physical)no abstracts in English
Hirata, Masaru; Sekine, Rika*; Onoe, Jun*; Nakamatsu, Hirohide*; Mukoyama, Takeshi*; ; Tachimori, Shoichi
Journal of Alloys and Compounds, 271-273, p.128 - 132, 1998/00
Times Cited Count:8 Percentile:52.55(Chemistry, Physical)no abstracts in English
Hirata, Masaru; ; Sekine, Rika*; Onoe, Jun*; Nakamatsu, Hirohide*; Mukoyama, Takeshi*; ;
Journal of Electron Spectroscopy and Related Phenomena, 83(1), p.59 - 64, 1997/00
Times Cited Count:19 Percentile:63.14(Spectroscopy)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
.