Experimental Visualization of Valence Charge Density Distribution in Ferroelectric materials

• Project/Area Number: 20560010
• Research Category: Grant-in-Aid for Scientific Research (C)
• Allocation Type: Single-year Grants
• Section: 一般
• Research Field: Applied materials science/Crystal engineering
• Research Institution: Hiroshima University
• Principal Investigator: KUROIWA Yoshihiro Hiroshima University, 大学院・理学研究科, 教授 (40225280)
• Co-Investigator(Kenkyū-buntansha): MORIYOSHI Chikako 広島大学, 大学院・理学研究科, 准教授 (00325143)
• Project Period (FY): 2008 – 2010
• Project Status: Completed (Fiscal Year 2010)
• Budget Amount: ¥4,680,000 (Direct Cost: ¥3,600,000、Indirect Cost: ¥1,080,000); Fiscal Year 2010: ¥780,000 (Direct Cost: ¥600,000、Indirect Cost: ¥180,000); Fiscal Year 2009: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000); Fiscal Year 2008: ¥2,470,000 (Direct Cost: ¥1,900,000、Indirect Cost: ¥570,000)
• Keywords: 強誘電体 / ペロブスカイト / X線回折 / 電子密度 / 放射光 / 単結晶構造解析 / 粉末結晶構造解析

Research Abstract

Development of the experimental technique on the visualization of valence charge density distributions has been carried out associated with the phase transitions, dielectric properties and states of chemical bonding in ferroelectric materials. Direct evidence of the electron polarization in PbTiO_3 is demonstrated by analyzing high energy synchrotron radiation diffraction data using the MEM/Rietveld method. The relationship between the bonding electron density and the phase transition temperature is clarified for the BaTiO_3-based ceramics. The crystal structures of several ferroelectric materials with peculiar oxygen coordination are analyzed at electron charge density levels.

Research Products

• [Journal Article] Extremely High Resolution Single Crystal Diffractometory for Orbital Resolution Using High Energy Synchrotron Radiation at SPring-8 (2010)
  • Author(s): K.Sugimoto, H.Ohsumi, S.Aoyagi, E.Nishibori, C.Moriyoshi, Y.Kuroiwa, H.Sawa, M.Takata
  • Journal Title: AIP Conf.Proc. 1234 Pages: 887-890
  • Peer Reviewed
• [Journal Article] Charge Density Study of Metastable State in BaTi_2O_5 with 5-Fold Coordinated Ti (2010)
  • Author(s): C.Moriyoshi, S.Miyoshi, Y.Kuroiwa, J.Yu, Y.Arai, A.Masuno
  • Journal Title: Jpn.J.Appl.Phys. 49
  • Peer Reviewed
• [Journal Article] Non-Centrosymmetric Structure of LuFeO_3 in Metastable State (2010)
  • Author(s): E.Magome, C.Moriyoshi, Y.Kuroiwa, A.Masuno, H.Inoue
  • Journal Title: Jpn.J.Appl.Phys. 49
  • Peer Reviewed
• [Journal Article] Extremely High Resolution Single Crystal Diffractometory for Orbital Resolution Using High Energy Synchrotron Radiation at SPring-8. (2010)
  • Author(s): K.Sugimoto, H.Ohsumi, S.Aoyagi, E.Nishibori, C.Moriyoshi, Y.Kuroiwa, H.Sawa, M.Takata
  • Journal Title: AIP Conf.Proc Volume: 1234 Pages: 887-890
  • Peer Reviewed
• [Journal Article] Charge Density Study of Metastable State in BaTi_2O_5 with 5-Fold Coordinated Ti (2010)
  • Author(s): C.Moriyoshi, S.Miyoshi, Y.Kuroiwa, J.Yu, Y.Arai, A.Masuno
  • Journal Title: Jpn.J.Appl.Phys Volume: 49
  • Peer Reviewed
• [Journal Article] Non-Centrosymmetric Structure of LuFeO_3 in Metastable State (2010)
  • Author(s): E.Magome, C.Moriyoshi, Y.Kuroiwa, A.Masuno, H.Inoue
  • Journal Title: Jpn.J.Appl.Phys. Volume: 49
  • Peer Reviewed
• [Journal Article] Structural Characteristics of (Ba_<0.94>Gd_<0.06>) (Ti_<0.97>?Mg_<0.03>) O_3 in Cubic Structure by High Energy Synchrotron Radiation Powder Diffraction (2009)
  • Author(s): N.Inoue, T.Okamatsu, A.Ando, H.Takagi, T.Hashimoto, C.Moriyoshi, Y.Kuroiwa
  • Journal Title: Jpn.J.Appl.Phys. 48
  • Peer Reviewed
• [Journal Article] Charge Density Distributions in Bi_4Ti_3O_<12> and Bi_<3.25>La_<0.75>Ti_3O_<12> in Paraelectric Phase (2009)
  • Author(s): C.Moriyoshi, S.Kimura, Y.Kuroiwa, S.J.Kim, Y.Noguchi
  • Journal Title: J.Korean Phys.Soc. 55 Pages: 794-798
  • Peer Reviewed
• [Journal Article] Structure and Physical Properties of Metastable Hexagonal LuFeO_3 (2009)
  • Author(s): A.Masuno, S.Sakai, Y.Arai, H.Tomioka, F.Otsubo, H.Inoue, C.Moriyoshi, Y.Kuroiwa, J.Yu
  • Journal Title: Ferroelectrics 278 Pages: 169-174
  • Peer Reviewed
• [Journal Article] Charge Density Distributions in Bi_4Ti_3O_<12> and Bi_<3.25>La_<0.75>Ti_3O_<12> in Paraelectric Phase (2009)
  • Author(s): C.Moriyoshi, S.Kimura, Y.Kuroiwa, S.J.Kim, Y.Noguchi
  • Journal Title: J.Korean Phys.Soc. 50 Pages: 794-798
  • Peer Reviewed
• [Journal Article] Structural Characteristics of (Ba_<0.94>Gd_<0.06>) (Ti_<0.97>Mg_<0.03)O3 in Cubic Structure by High Energy Synchrotron Radiation Powder Diffraction (2009)
  • Author(s): N.Inoue, T.Okamatsu, A.Ando, H.Takagi, T.Hashimoto, C.Moriyoshi, Y.Kuroiwa
  • Journal Title: Jpn.J.Appl.Phys. 48
  • Peer Reviewed
• [Journal Article] Charge Density Distributions in Bi_4Ti_3O_<12> and Bi_<3.25>La_<0.75>Ti_30_<12> in Paraelectric Phase (2009)
  • Author(s): C. Moriyoshi, 他4名
  • Journal Title: J. Korean Phys. Soc. (印刷中)
  • Peer Reviewed
• [Journal Article] Luminescence Mechanism of (Pr, Al) -Doped SrTiO_3 Fine Particle Investigated by X-Ray Absorption Spectroscopy (2008)
  • Author(s): M.Deguchi, N.Naka jima, K.Kawakami, N.I shimatsu, H.Maruyama, C.Moriyoshi, Y, Kuroiwa, S.Nozawa, K.I shi ji, T.Iwazumi
  • Journal Title: Phys.Rev.B 78
  • Peer Reviewed
• [Journal Article] Electron Charge Density Study of (Na_<1-x>K_x)NbO_3, in Cubic Structure (2008)
  • Author(s): C.Moriyoshi, J.Kato, Y.Terado, S.Wada, M.Takata, Y.Kuroiwa
  • Journal Title: Jpn.J.Appl.Phys. 47 Pages: 7745-7748
  • Peer Reviewed
• [Journal Article] Electron Charge Density Study of (Na_<1-x>K_x)NbO_3 in Cubic Structure (2008)
  • Author(s): C. Moriyoshi, 他5名
  • Journal Title: Jpn. J. Appl. Phys. 47 Pages: 7745-7748
  • Peer Reviewed
• [Journal Article] Luminescence Mechanism of (Pr, Al)-Doped SrTiO_3 Fine Particle Investigated by X-Ray Absorption Spectroscopy (2008)
  • Author(s): M. Deguchi, 他9名
  • Journal Title: Phys. Rev. B 78
  • Peer Reviewed
• [Presentation] 放射光を用いた強誘電体の構造物性研究 (2011)
  • Author(s): 黒岩芳弘
  • Organizer: 第28回強誘電体応用会議(FMA-28)
  • Place of Presentation: 京都(招待講演)
  • Year and Date: 2011-05-27
• [Presentation] ペロブスカイト型強誘電体のプロトタイプ構造の特徴と構造相転移 (2011)
  • Author(s): 黒岩芳弘
  • Organizer: 第10回山梨エレクトロセラミソクスセミナー
  • Place of Presentation: 山梨(招待講演)
  • Year and Date: 2011-01-30
• [Presentation] ペロブスカイト型強誘電体のプロトタイプ構造の特徴と構造相転移 (2011)
  • Author(s): 黒岩芳弘
  • Organizer: 第10回山梨エレクトロセラミックスセミナー
  • Place of Presentation: 山梨市(招待講演)
  • Year and Date: 2011-01-30
• [Presentation] MEMによる強誘電体固溶体の電子密度決定 (2010)
  • Author(s): 黒岩芳弘
  • Organizer: 第17回中国・四国・北九州地区誘電体セミナー
  • Place of Presentation: 山口(招待講演)
  • Year and Date: 2010-12-11
• [Presentation] 電子密度解析によるBiFeO3-PbTiO3固溶体の巨大正方晶歪みの研究 (2010)
  • Author(s): 田治一晃, 吉田芙美子, 森吉千佳子, 黒岩芳弘, 森分博紀
  • Organizer: 第17回中国・四国・北九州地区誘電体セミナー
  • Place of Presentation: 山口(ベストポスター賞受賞)
  • Year and Date: 2010-12-11
• [Presentation] MEMによる強誘電体固溶体の電子密度決定 (2010)
  • Author(s): 黒岩芳弘
  • Organizer: 第17回中国・四国・北九州地区誘電体セミナー
  • Place of Presentation: 山口市(招待講演)
  • Year and Date: 2010-12-11
• [Presentation] 電子密度解析によるBiFeO_3-PbTiO_3固溶体の巨大正方晶歪みの研究 (2010)
  • Author(s): 田治一晃, 吉田芙美子, 森吉千佳子, 黒岩芳弘, 森分博紀
  • Organizer: 第17回中国・四国・北九州地区誘電体セミナー
  • Place of Presentation: 山口市(ベストポスター賞受賞)
  • Year and Date: 2010-12-11
• [Presentation] In Situ Crystal Structure Investigation of BaTiO_3-Based Ceramics under Electric Fields by High Energy Synchrotron Radiation Diffraction (2010)
  • Author(s): 黒岩芳弘
  • Organizer: 3rd International Congress on Ceramics (ICC3)
  • Place of Presentation: Osaka(招待講演)
• [Presentation] In situ Observation of Crystal Structure of BaTiO_3-based Ceramics under High Electric Field (2010)
  • Author(s): H.Ohkubo, C.Moriyoshi, F.Yoshida, Y.Kuroiwa, N.Inoue, T.Okamoto
  • Organizer: 10th Conference of the Asian Crystallographic Association (AsCA2010)
  • Place of Presentation: Busan, Korea.(国際結晶学連合(IUCr)ポスター賞受賞)
• [Presentation] Electron Charge Density Study of Perovskite-type Ferroelectric Oxides in Cubic Structure (2010)
  • Author(s): 黒岩芳弘
  • Organizer: 17th International Workshop on Oxide Electronics (WOE17)(招待講演)
  • Place of Presentation: Awaji
• [Presentation] Giant Tetragonal Lattice Strain Observed in BiFeO_3?PbTiO_3 System by Synchrotron Radiation Powder Diffraction (2010)
  • Author(s): K.Taji, C.Moriyoshi, F.Yoshida, Y.Kuroiwa
  • Organizer: 2010 Japan-Korea Student Workshop
  • Place of Presentation: Hiroshima(ベストハーラル発表賞受賞)
• [Presentation] Structural Study of Barium Titanate Based Ceramics in Cubic Phase by High Energy Synchrotron Radiation Diffraction (2010)
  • Author(s): 黒岩芳弘
  • Organizer: 10th Russia/CIS/Baltic/Japan Symposium on Ferroelectricity (RCBJSF-10)
  • Place of Presentation: Yokohama(招待講演)
• [Presentation] Electron Charge Density of R-and Mg-Substituted BaTiO_3 (R: Rare-Earth Metal) in Cubic Phase using Synchrotron Radiation Powder Diffraction (2010)
  • Author(s): T.Hashimoto, C.Moriyoshi, F.Yoshida, Y.Kuroiwa, N.Inoue
  • Organizer: 10th Russia/CIS/Baltic/Japan Symposium on Ferroelectricity (RCBJSF-10)
  • Place of Presentation: Yokohama(RBCBJSF Young Scientist Award受賞)
• [Presentation] Structural Study of Barium Titanate Based Ceramics in Cubic Phase by High Energy Synchrotron Radiation Diffraction. (2010)
  • Author(s): Y.Kuroiwa
  • Organizer: 10th Russia/CIS/Baltic/Japan Symp.on Ferroelectricity (RCBJSF-10)
  • Place of Presentation: 横浜市(招待講演)
• [Presentation] Electron Charge Density of R- and Mg-Substituted BaTiO_3 (R : Rare-Earth Metal)in Cubic Phase using Synchrotron-Radiation Powder-Diffraction. (2010)
  • Author(s): T.Hashimoto, C.Moriyoshi, F.Yoshida, Y.Kuroiwa, N.Inoue
  • Organizer: 10th Russia/CIS/Baltic/Japan Symp.on Ferroelectricity (RCBJSF-10)
  • Place of Presentation: 横浜市(RBCBJSF Young Scientist Award受賞)
• [Presentation] Giant Tetragonal Lattice Strain Observed in BiFeO_3-PbTiO_3 System by Synchrotron Radiation Powder Diffraction. (2010)
  • Author(s): K.Taji, C.Moriyoshi, F.Yoshida, Y.Kuroiwa
  • Organizer: 2010Japan-Korea Student Workshop
  • Place of Presentation: 広島市(ベストオーラル発表賞受賞)
• [Presentation] Electron Charge Density Study of Perovskite-type Ferroelectric Oxides in Cubic Structure (2010)
  • Author(s): Y.Kuroiwa
  • Organizer: 17th International Workshop on Oxide Electronics(WOE 17)
  • Place of Presentation: 淡路市(招待講演)
• [Presentation] In situ Observation of Crystal Structure of BaTiO3-based Ceramics under High Electric Field (2010)
  • Author(s): H.Ohkubo, C.Moriyoshi, F.Yoshida, Y.Kuroiwa, N.Inoue, T.Okamoto
  • Organizer: The 10th Conference of the Asian Crystallographic Association(AsCA2010)
  • Place of Presentation: 釜山,韓国(国際結晶学連合(IUCr)ポスター賞受賞)
• [Presentation] In Situ Crystal Structure Investigation of BaTiO3-Based Ceramics under Electric Fields by High Energy Synchrotron Radiation Diffraction (2010)
  • Author(s): Y.Kuroiwa
  • Organizer: 3rd International Congress on Ceramics(ICC3)
  • Place of Presentation: 大阪市(招待講演)
• [Presentation] ペロブスカイト型固溶体の構造乱れと強誘電相転移,特定領域「フラストレーションが創る新しい物性」 (2009)
  • Author(s): 黒岩芳弘
  • Organizer: 第5回トピカルミーティング「誘電体にひそむランダムネスとフラストレーション」
  • Place of Presentation: 豊中(招待講演)
  • Year and Date: 2009-12-18
• [Presentation] ペロブスカイト型固溶体の構造乱れと強誘電相転移 (2009)
  • Author(s): 黒岩芳弘
  • Organizer: 特定領域「フラストレーションが創る新しい物性」第5回トピカルミーティング「誘電体にひそむランダムネスとフラストレーション」
  • Place of Presentation: 豊中市
  • Year and Date: 2009-12-18
• [Presentation] LuFeO_3の準安定相の構造解析 (2009)
  • Author(s): 馬込栄輔, 森吉千佳子, 吉田芙美子, 黒岩芳弘, 増野敦信, 井上博之
  • Organizer: 日本物理学会2009年秋季大会
  • Place of Presentation: 熊本
  • Year and Date: 2009-09-26
• [Presentation] LuFeO_3の準安定相の構造解析 (2009)
  • Author(s): 馬込栄輔, 森吉千佳子, 吉田芙美子, 黒岩芳弘, 増野敦信, 井上博之
  • Organizer: 日本物理学会2009年秋季大会
  • Place of Presentation: 熊本市
  • Year and Date: 2009-09-26
• [Presentation] カルシウム元素置換したチタン酸バリウムの電子密度解析 (2009)
  • Author(s): 龍大樹, 橋本隆, 森吉千佳子, 黒岩芳弘, 池田潤
  • Organizer: 日本物理学会2009年秋季大会
  • Place of Presentation: 熊本
  • Year and Date: 2009-09-25
• [Presentation] 高電場を印加したチタン酸バリウムの結晶構造解析 (2009)
  • Author(s): 大久保寿紀, 森吉千佳子, 吉田芙美子, 黒岩芳弘, 井上徳之, 岡本貴史
  • Organizer: 日本物理学会2009年秋季大会
  • Place of Presentation: 熊本
  • Year and Date: 2009-09-25
• [Presentation] 高電場を印加したチタン酸バリウムの結晶構造解析 (2009)
  • Author(s): 大久保寿紀, 森吉千佳子, 吉田芙美子, 黒岩芳弘, 井上徳之, 岡本貴史
  • Organizer: 日本物理学会2009年秋季大会
  • Place of Presentation: 熊本市
  • Year and Date: 2009-09-25
• [Presentation] カルシウム元素置換したチタン酸バリウムの電子密度解析 (2009)
  • Author(s): 龍大樹, 橋本隆, 森吉千佳子, 黒岩芳弘, 池田潤
  • Organizer: 日本物理学会2009年秋季大会
  • Place of Presentation: 熊本市
  • Year and Date: 2009-09-25
• [Presentation] 強誘電体セラミックス材料の結晶構造と誘電物性-結晶構造からわかる材料設計の指針と中性子回折実験に期待すること- (2009)
  • Author(s): 黒岩芳弘
  • Organizer: 茨城県中性子利用促進研究会「量子ビームによる材料評価法分科会」
  • Place of Presentation: 茨城県那珂郡東海(招待講演)
  • Year and Date: 2009-07-09
• [Presentation] 強誘電体セラミックス材料の結晶構造と誘電物性 -結晶構造からわかる材料設計の指針と中性子回折実験に期待すること- (2009)
  • Author(s): 黒岩芳弘
  • Organizer: 茨城県中性子利用促進研究会「量子ビームによる材料評価法分科会」
  • Place of Presentation: 茨城県那珂郡
  • Year and Date: 2009-07-09
• [Presentation] BaTiO_3の希土類・Mg元素置換効果に関する電子密度研究 (2009)
  • Author(s): 井上徳之, 岡松俊宏, 安藤陽, 鷹木洋, 橋本隆, 龍大樹, 森吉千佳子, 黒岩芳弘
  • Organizer: 第26回強誘電体応用会議(FMA-26)
  • Place of Presentation: 京都
  • Year and Date: 2009-05-27
• [Presentation] BaTiO_3の希土類・Mg元素置換効果に関する電子密度研究 (2009)
  • Author(s): 井上徳之, 岡松俊宏, 安藤陽, 鷹木洋, 橋本隆, 龍大樹, 森吉千佳子, 黒岩芳弘
  • Organizer: 第25回強誘電体応用会議(FMA-26)
  • Place of Presentation: 京都市
  • Year and Date: 2009-05-27
• [Presentation] Electron Charge Density Study on Ferroelectric Phase Transitions of Classic Perovskites and Their Solid Solutions (2009)
  • Author(s): 黒岩芳弘
  • Organizer: Japan-Korea The 8th Joint Workshop
  • Place of Presentation: Tsukuba(招待講演)
• [Presentation] Electron Charge Density Study for Ferroelectrics by High Energy Synchrotron Radiation Powder Diffraction (2008)
  • Author(s): Y. Kuroiwa
  • Organizer: 9th Russia/CIS/Baltic/Japan Symp. on Ferroelectricity (RCBJSF-9)
  • Place of Presentation: Vilnius大学(リトアニア)
  • Year and Date: 2008-06-18
• [Presentation] Electron Charge Density Study on Anharmonicity and Disorder in Cubic Structure of Perovskite Solid Solutions and Phase Transitions (2008)
  • Author(s): 黒岩芳弘
  • Organizer: IUMRS International Conference in Asia 2008 (IUMRS-ICA 2008)
  • Place of Presentation: Nagoya(招待講演)
• [Presentation] Electrostatic potential and electric field imaging by MEM powder diffraction data analysis (2008)
  • Author(s): M.Takata, H.Tanaka, Y.Kuroiwa, Y.Moritomo, K.Kato, F.Yoshida
  • Organizer: XXI Congress and General Assembly of the Int'1 Union of Crystallogr.(IUCr 2008)
  • Place of Presentation: Osaka.
• [Presentation] A New Method Evaluating the Electrostatic Potential by MEM X-ray Diffraction Analysis and its Application to Ferroelectric Materials (2008)
  • Author(s): H.Tanaka, Y.Kuroiwa, M.Takata
  • Organizer: 7th Korea-Japan Conference on Ferroelectrics
  • Place of Presentation: Jeju, Korea.
• [Presentation] Effect of Atomic Substitution on Crystal Structure and Phase Transition in (Ba_<1-x>R_x)(Ti_<1-x>Mg_<0.5x>)O_3 (R : Rare Earth Metal) System (2008)
  • Author(s): T.Hashimoto, Y.Terado, C.Moriyoshi, Y.Kuriowa, N.Inoue
  • Organizer: 7th Korea-Japan Conference on Ferroelectrics
  • Place of Presentation: Jeju, Korea.
• [Presentation] Charge density distribution and electrostatic potential of ferroelectric (Ba_<0.94>Ca_<0.06>)TiO_3 (2008)
  • Author(s): Y.Iwahori, H.Tanaka, M.Takata, Y.Terado, C.Moriyoshi, Y.Kuroiwa
  • Organizer: 7th Korea-Japan Conference on Ferroelectrics
  • Place of Presentation: Jeju, Korea.
• [Presentation] Charge Density Study of (K_<1-x>Na_x)NbO_3 in Cubic Structure (2008)
  • Author(s): Y.Kuroiwa, J.Kato, Y.Terado, C.Moriyoshi, S.Wada
  • Organizer: 7th Korea-Japan Conference on Ferroelectrics
  • Place of Presentation: Jeju, Korea.
• [Presentation] Role of La in Fatigue-free Ferroelectric Bi_<3.25>La_<0.75>Ti_3O_<12> (2008)
  • Author(s): 森吉千佳子, S.Kimura, 黒岩芳弘, S.J.Kim, Y.Noguchi, M.Miyayama
  • Organizer: 7th Korea-Japan Conference on Ferroelectrics
  • Place of Presentation: Jeju, Korea.
• [Presentation] Crystallization Process of BaTi205 Glass by High-energy Synchrotron-radiation Powder Diffraction (2008)
  • Author(s): N.Okizaki, S.Miyoshi, C.Moriyoshi, Y.Kuroiwa, J.Yu, Y.Arai, A.Masuno
  • Organizer: 7th Korea-Japan Conference on Ferroelectrics
  • Place of Presentation: Jeju, Korea.
• [Presentation] Electron Charge Density Study for Ferroelectrics by High Energy Synchrotron Radiation Powder Diffraction (2008)
  • Author(s): 黒岩芳弘
  • Organizer: 9th Russia/CIS/Baltic/Japan Symposium on Ferroelectricity (RCBJSF-9)
  • Place of Presentation: Vilnius, Lithuania(招待講演)
• [Remarks] ホームページ等
  • URL: http://home.hiroshima-u.ac.jp/xtalphys/