Chemical Bonding Nature in PbTiO3-type Ferroelectrics

• Project/Area Number: 24560013
• Research Category: Grant-in-Aid for Scientific Research (C)
• Allocation Type: Multi-year Fund
• Section: 一般
• Research Field: Applied materials science/Crystal engineering
• Research Institution: Hiroshima University
• Principal Investigator: MORIYOSHI Chikako 広島大学, 理学(系)研究科(研究院), 准教授 (00325143)
• Co-Investigator(Kenkyū-buntansha): MORIWAKE Hiroki 一般財団法人ファインセラミックスセンター, ナノ構造研究所, 主席研究員 (40450853)
• Project Period (FY): 2012-04-01 – 2015-03-31
• Project Status: Completed (Fiscal Year 2014)
• Budget Amount: ¥5,460,000 (Direct Cost: ¥4,200,000、Indirect Cost: ¥1,260,000); Fiscal Year 2014: ¥780,000 (Direct Cost: ¥600,000、Indirect Cost: ¥180,000); Fiscal Year 2013: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000); Fiscal Year 2012: ¥3,510,000 (Direct Cost: ¥2,700,000、Indirect Cost: ¥810,000)
• Keywords: 巨大正方晶歪み / 化学結合 / 放射光回折 / 第一原理計算 / ペロブスカイト型強誘電体 / 放射光回折実験 / 電子密度分布 / 第一原子計算 / 誘電体

Outline of Final Research Achievements

Structural study on lead-titanate-type perovskite-type ferroelectrics has been performed by using high-energy synchrotron radiation X-ray powder diffraction measurements and first-principles calculation. It has been clarified that the bismuth ions enhances the tetragonal distortion of lead-titanate via the hybridization between the bismuth and oxygen ions in addition to the lead and oxygen ions. Such hybridization between the bismuth and oxygen ions is observed even in the high-temperature disordered phase in the Bi-containing solid solutions and gives rise to peculiar thermal motion of the bismuth ions in the crystal.

Research Products

• [Journal Article] Off-centering of a Bi Ion in Cubic Phase of (Bi1/2Na1/2)TiO3 (2014)
  • Author(s): Chikako Moriyoshi, Shoichi Takeda, Yoshihiro Kuroiwa, and Masato Goto
  • Journal Title: Japanese Journal of Applied Physics Volume: 53 Issue: 9S Pages: 09PD02-09PD02
  • DOI: 10.7567/jjap.53.09pd02
  • NAID: 210000144502
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] SXRD Charge Density of KNbO3 Ferroelectric Perovskite (2014)
  • Author(s): S. Kawamura, E. Magome, C. Moriyoshi, Y. Kuroiwa, N. Taniguchi, H. Tanaka, and S. Wada
  • Journal Title: Ferroelectrics Volume: 462 Issue: 1 Pages: 1-7
  • DOI: 10.1080/00150193.2014.890463
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] SXRD Charge Density of KNbO3 Ferroelectric Perovskite (2014)
  • Author(s): S. Kawamura, E. Magome, C. Moriyoshi, Y. Kuroiwa, N. Taniguchi, H. Tanaka, and Yoshihiro Kuroiwa
  • Journal Title: Ferroelectrics Volume: 印刷中
  • Peer Reviewed
• [Journal Article] Visualization of Bi3+ off-centering in the average cubic structure of (Ba0.70Bi0.30)(Ti0.70Fe0.30)O3 at the electron density level (2013)
  • Author(s): Anar Singh, Chikako Moriyoshi, Yoshihiro Kuroiwa, and Dhananjai Pandey
  • Journal Title: Applied Physics Letters Volume: 103 Issue: 12
  • DOI: 10.1063/1.4822032
  • Peer Reviewed
• [Journal Article] Origin of Composition Variation of Ferroelectric Phase Transition Temperature in (Ba,Ca)TiO3 by Synchrotron Radiation Powder Diffraction (2013)
  • Author(s): Chikako Moriyoshi, Shoichi Takeda, Eisuke Magome, Yoshihiro Kuroiwa, and Jun Ikeda
  • Journal Title: Japanese Journal of Applied Physics Volume: 52 Issue: 9S1 Pages: 09KF02-09KF02
  • DOI: 10.7567/jjap.52.09kf02
  • Peer Reviewed
• [Journal Article] Electronic Polarization in KNbO_3 Visualized by Synchrotron Radiation Powder Diffraction (2013)
  • Author(s): S.Kawamura, E.Magome, C.Moriyoshi, Y.Kuroiwa, N.Taniguchi, H.Tanaka, S.Maki, M.Takata and S.Wada
  • Journal Title: Jpn. J. Appl. Phys. Volume: 52 Issue: 9S1 Pages: 09KF04-09KF04
  • DOI: 10.7567/jjap.52.09kf04
  • Peer Reviewed
• [Presentation] BサイトにZrイオンを含むペロブスカイト型酸化物の相転移に関する構造物性研究 (2015)
  • Author(s): 川村翔人，馬込栄輔，森吉千佳子，黒岩芳弘，河本智史，谷口尚，田中宏志
  • Organizer: 日本物理学会第７０回年次大会
  • Place of Presentation: 早稲田大学
  • Year and Date: 2015-03-21
• [Presentation] 強誘電体BaTiO3-Bi(Mg0.5Ti0.5)O3-BiFeO3の電場印加放射光回折 (2014)
  • Author(s): 引地奈津子，竹田翔一，馬込栄輔，森吉千佳子，黒岩芳弘，飯塚涼，和田智志，藤井一郎
  • Organizer: 日本物理学会２０１４年秋季大会
  • Place of Presentation: 中部大学
  • Year and Date: 2014-09-08
• [Presentation] 放射光Ｘ線回折による誘電体結晶の構造とダイナミクスの研究 (2014)
  • Author(s): 森吉千佳子
  • Organizer: 第48回基礎科学部会セミナー（主催：日本セラミックス協会基礎科学部会）
  • Place of Presentation: 福山市
  • Year and Date: 2014-07-10 – 2014-07-11
  • Invited
• [Presentation] (Bi1/2Na1/2)TiO3の立方晶相にみられるBiオフセンター (2014)
  • Author(s): 森吉千佳子，竹田翔一，黒岩芳弘，後藤正人
  • Organizer: 第３１回強誘電体応用会議(FMA31)
  • Place of Presentation: 京都府
  • Year and Date: 2014-05-28
• [Presentation] 巨大なc/aを有する正方晶BiFeO3-PbTiO3固溶体の同型相転移の第一原理計算 (2013)
  • Author(s): 森分博紀，田治一晃，森吉千佳子，黒岩芳弘
  • Organizer: 公益社団法人日本セラミックス協会2013年年会
  • Place of Presentation: 東京工業大学
• [Presentation] BiFeO3-PbTiO3固溶体の正方晶同型相転移の第一原理計算 (2013)
  • Author(s): 森分博紀，田治一晃，森吉千佳子，黒岩芳弘
  • Organizer: 日本物理学会第68回年次大会
  • Place of Presentation: 広島大学
• [Presentation] Charge density study of BiFeO3-PbTiO3 solid solution system with large tetragonal lattice distortion (2012)
  • Author(s): Kazuaki Taji, Chikako Moriyoshi, Yoshihiro Kuroiwa, Hiroki Moriwake, Shuvrajyoti Bhattacharjee, and Dhananjai Pandey
  • Organizer: The 9th Korea-Japan Conference on Ferroelectrics (Excellent Presentation Award受賞)
  • Place of Presentation: University of Ulsan, Ulsan, Korea
• [Presentation] 同型相転移を示すBiFeO3-PbTiO3固溶体の電子密度解析 (2012)
  • Author(s): 田治一晃，森吉千佳子，黒岩芳弘，森分博紀，Shuvrajyoti Bhattacharjee，Dhananjai Pandey
  • Organizer: 日本物理学会2012年秋季大会
  • Place of Presentation: 横浜国立大学