Refine your search:     
Report No.
 - 
Search Results: Records 1-8 displayed on this page of 8
  • 1

Presentation/Publication Type

Initialising ...

Refine

Journal/Book Title

Initialising ...

Meeting title

Initialising ...

First Author

Initialising ...

Keyword

Initialising ...

Language

Initialising ...

Publication Year

Initialising ...

Held year of conference

Initialising ...

Save select records

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

 Times Cited Count:11 Percentile:44.21(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

 Times Cited Count:2 Percentile:9.76(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.

Journal Articles

Molecular-dynamics simulations of gold clusters

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

JAEA Reports

Status on the heavy elements research using the DV-DFS method

Hirata, Masaru; Bastug, T.*; Sekine, Rika*; Onoe, Jun*; Nakamatsu, Hirohide*; Mukoyama, Takeshi*

JAERI-Review 99-008, 29 Pages, 1999/03

JAERI-Review-99-008.pdf:1.45MB

no abstracts in English

Journal Articles

Discrete-variational Dirac-Slater calculation on valence band XPS for UC

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:59.69(Chemistry, Physical)

no abstracts in English

Journal Articles

Electronic structures of actinyl nitrate-triethyl phosphate complexes using the DV-DS method

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:52.66(Chemistry, Physical)

no abstracts in English

Journal Articles

Valence electronic structure of uranyl nitrate UO$$_{2}$$(NO$$_{3}$$)$$_{2}$$$$cdot$$2H$$_{2}$$O

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:63.22(Spectroscopy)

no abstracts in English

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$$_{3}$$.

8 (Records 1-8 displayed on this page)
  • 1