Atomistic scale analysis of microstructures in unconventional ferroelectric oxides

• Project/Area Number: 24760533
• Research Category: Grant-in-Aid for Young Scientists (B)
• Allocation Type: Multi-year Fund
• Research Field: Physical properties of metals
• Research Institution: The University of Tokyo
• Principal Investigator: TOHEI Tetsuya 東京大学, 工学(系)研究科(研究院), 助教 (00463878)
• Research Collaborator: MATSUMOTO Takao ; NAKABAYASHI Mamiko
• Project Period (FY): 2012-04-01 – 2015-03-31
• Project Status: Completed (Fiscal Year 2014)
• Budget Amount: ¥4,550,000 (Direct Cost: ¥3,500,000、Indirect Cost: ¥1,050,000); Fiscal Year 2014: ¥910,000 (Direct Cost: ¥700,000、Indirect Cost: ¥210,000); Fiscal Year 2013: ¥1,820,000 (Direct Cost: ¥1,400,000、Indirect Cost: ¥420,000); Fiscal Year 2012: ¥1,820,000 (Direct Cost: ¥1,400,000、Indirect Cost: ¥420,000)
• Keywords: 酸化物 / 走査透過型電子顕微鏡 / 強誘電体 / ドメイン構造 / 第一原理計算 / ドメイン / 複合酸化物 / 透過型電子顕微鏡 / DyInO3 / YMnO3

Outline of Final Research Achievements

Microscopic structural analysis has been performed on non-perovskite hexagonal RMO3 compounds where unconventional ferroelectric properties are expected. Synthesis of ceramics and single crystal samples and high resolution observations by scanning transmission electron microscopy (STEM) have been performed in conjunction with theoretical analysis based on first principles calculations. Our observations have revealed atomistic scale details of the DyInO3 and YMnO3 compounds' crystal and domain structures, demonstrating the capability of the present method combining atomic resolution STEM observations and theoretical calculations for investigating microstructures of oxides and other compounds.

Research Products

• [Journal Article] First Principles Study on Vacancy Formation and Diffusion Behaviors in a-Al2O3 Grain Boundary (2015)
  • Author(s): T. Tohei, Y. Watanabe, N. Shibata, Y. Ikuhara
  • Journal Title: AMTC Letters Volume: 4 Pages: 134-135
  • Peer Reviewed
• [Journal Article] Double Columnar Structure with a Nanogradient Composite for Increased Oxygen Diffusivity and Reduction Activity (2014)
  • Author(s): Young-Wan Ju, Junji Hyodo, Atsushi Inoishi, Shintaro Ida, Tetsuya Tohei, Yeong-Gi So, Yuichi Ikuhara and Tatsumi Ishihara
  • Journal Title: Advanced Energy Materials Volume: 4 Issue: 17
  • DOI: 10.1002/aenm.201400783
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] Phase Boundary Structure of LixFePO4 Cathode Material Revealed by Atomic-Resolution Scanning Transmission Electron Microscopy (2014)
  • Author(s): A. Nakamura, S. Furutsuki, S. Nishimura, T. Tohei, Y. Sato, N. Shibata, A. Yamada, and Y. Ikuhara
  • Journal Title: Chemistry of Materials Volume: 26 Issue: 21 Pages: 6178-6184
  • DOI: 10.1021/cm5024986
  • Peer Reviewed / Open Access / Acknowledgement Compliant
• [Journal Article] Titanium enrichment and strontium depletion near edge dislocation in strontium titanate [001]/(110) low angle tilt grain boundary (2014)
  • Author(s): K. Takehara, Y. Sato, T. Tohei, N. Shibata, and Y. Ikuhara
  • Journal Title: Journal of Materials Science Volume: 49 Issue: 11 Pages: 3962-3969
  • DOI: 10.1007/s10853-014-8034-5
  • Peer Reviewed
• [Journal Article] Large magnetoelectric coupling in magnetically short-range ordered Bi5Ti3FeO15 film (2014)
  • Author(s): H. Zhao, H. Kimura, Z. Cheng, M. Osada, J. Wang, X. Wang, S. Dou, Y. Liu, J. Yu, T. Matsumoto, T. Tohei, N. Shibata, Y. Ikuhara
  • Journal Title: Scientific Reports Volume: 4 Issue: 1 Pages: 5255-1
  • DOI: 10.1038/srep05255
  • Peer Reviewed / Open Access
• [Journal Article] A New Layered Iron Arsenide Superconductor: (Ca,Pr)FeAs2 (2014)
  • Author(s): H. Yakita, H. Ogino, T. Okada, A. Yamamoto, K. Kishio, T. Tohei, Y. Ikuhara, Y. Gotoh, H. Fujihisa, K. Kataoka
  • Journal Title: J. Am. Chem. Soc. Volume: 136 Issue: 3 Pages: 846-849
  • DOI: 10.1021/ja410845b
  • Peer Reviewed
• [Journal Article] Determination of Exact Positions of Individual Tungsten Atoms in Unisize Tungsten Oxide Clusters Supported on Carbon Substrate by HAADF-STEM Observation (2014)
  • Author(s): H. Yasumatsu, T. Tohei, Y. Ikuhara
  • Journal Title: J. Phys. Chem. C Volume: 118 Issue: 3 Pages: 1706-1711
  • DOI: 10.1021/jp4083745
  • Peer Reviewed
• [Journal Article] Synthesis of String-Bean-Like Anisotropic Titania Nanoparticles with Basic Amino Acids (2014)
  • Author(s): Junzheng Wang, John K. Katahara, Akihito Kumamoto, Tetsuya Tohei, Ayae Sugawara-Narutaki, Atsushi Shimojima, Tatsuya Okubo
  • Journal Title: RSC Adv Volume: 4 Issue: 18 Pages: 9233-9234
  • DOI: 10.1039/c3ra47170e
  • Peer Reviewed
• [Journal Article] Fluorine in Shark Teeth: Its Direct Atomic-Resolution Imaging and Strengthening Function (2014)
  • Author(s): Chen, Chunlin; Wang, Zhongchang; Saito, Mitsuhiro; Tohei, Tetsuya; Takano, Yoshiro; Ikuhara, Yuichi
  • Journal Title: Angewandte Chemie Volume: 126 Issue: 6 Pages: 1569-1573
  • DOI: 10.1002/anie.201307689
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] Multivariate statistical characterization of charged and uncharged domain walls in multiferroic hexagonal YMnO3 single crystal visualized by a spherical aberration-corrected STEM (2013)
  • Author(s): T. Matsumoto, R. Ishikawa, T. Tohei, H. Kimura, Q. Yao, H. Zhao, X. Wang, D. Chen, Z. Cheng, N. Shibata and Y. Ikuhara
  • Journal Title: Nano Lett. Volume: 13 Issue: 10 Pages: 4594-4601
  • DOI: 10.1021/nl402158c
  • Peer Reviewed
• [Journal Article] First principles calculation of dopant solution energy in HfO2 polymorphs (2012)
  • Author(s): M. Saitoh, T. Mizoguchi, T. Tohei, Y Ikuhara
  • Journal Title: Journal of Applied Physics Volume: 112[8] Issue: 8 Pages: 84514-84514
  • DOI: 10.1063/1.4755797
  • Peer Reviewed
• [Journal Article] Observation of Microstructures in Doped LaMOX Compounds by Atomic Scale STEM Imaging (2012)
  • Author(s): T. Tohei, T. Mizoguchi, H. Hiramatsu, Y. Kamihara, H. Hosono, and Y. Ikuhara
  • Journal Title: AMTC Letters Volume: 3 Pages: 26-27
  • Peer Reviewed
• [Journal Article] Nanowire of hexagonal gallium oxynitride: Direct observation of its stacking disorder and its long nanowire growth (2012)
  • Author(s): Y. Masubuchi, R. Yamaoka, T. Tohei, T. Mizoguchi, Y. Ikuhara, S. Kikkawa
  • Journal Title: Journal of The European Ceramic Society Volume: 32(9 SI) Issue: 9 Pages: 1989-1993
  • DOI: 10.1016/j.jeurceramsoc.2011.10.038
  • NAID: 120005946650
  • Peer Reviewed
• [Journal Article] Chain-like nanostructures from anisotropic self-assembly of semiconducting metaloxide nanoparticles with block copolymer (2012)
  • Author(s): J. Wang, S. Winardi, A. Sugawara-Narutaki, A. Kumamoto, T. Tohei, A. Shimojima, and *T. Okubo
  • Journal Title: Chemistry Communication Volume: 48 Issue: 90 Pages: 11115-11117
  • DOI: 10.1039/c2cc36210d
  • Peer Reviewed
• [Presentation] アルミナΣ11粒界における原子拡散挙動の第一原理計算 (2015)
  • Author(s): 藤平哲也, 渡邊唯人, 柴田直哉, 幾原雄一
  • Organizer: 日本セラミックス協会2015年年会
  • Place of Presentation: 岡山大学（岡山）
  • Year and Date: 2015-03-19
• [Presentation] アルミナ粒界における原子拡散挙動の第一原理理論解析 (2014)
  • Author(s): 藤平哲也, 渡邊唯人, 柴田直哉, 幾原雄一
  • Organizer: 日本金属学会2014年度秋期講演大会
  • Place of Presentation: 名古屋大学（愛知）
  • Year and Date: 2014-09-25
• [Presentation] アルミナ双結晶の粒界原子構造に対する不純物濃度の影響 (2014)
  • Author(s): 藤平哲也, 酒井正裕, 柴田直哉, 幾原雄一
  • Organizer: 日本顕微鏡学会第70回記念学術講演会
  • Place of Presentation: 幕張メッセ（千葉）
  • Year and Date: 2014-05-13
• [Presentation] 走査透過型電子顕微鏡による材料微構造の原子レベル解析 (2014)
  • Author(s): 藤平哲也, 熊本明仁, 柴田直哉, 幾原雄一
  • Organizer: 日本顕微鏡学会第70回記念学術講演会
  • Place of Presentation: 幕張メッセ（千葉）
  • Year and Date: 2014-05-12
  • Invited
• [Presentation] First Principles Study on Vacancy Formation and Diffusion Behaviors in a-Al2O3 Grain Boundary (2014)
  • Author(s): T. Tohei, Y. Watanabe, N. Shibata, Y. Ikuhara
  • Organizer: Advanced Microscopy and Theoretical Calculations 4
  • Place of Presentation: ACT CITY, Hamamatsu
  • Year and Date: 2014-05-08
• [Presentation] 第一原理計算によるアルミナ粒界原子拡散挙動の理論的解析 (2014)
  • Author(s): 藤平哲也，渡邊唯人，柴田直哉，幾原雄一
  • Organizer: 日本金属学会2014年春季大会
  • Place of Presentation: 東京工業大学（東京）
• [Presentation] Analysis of Atomic Structure and Dopant Effects on alpha-alumina Grain Boundaries (2013)
  • Author(s): T. Tohei, M. Sakai, TH. Kweon, Y. Watanabe, N. Shibata, and Y. Ikuhara
  • Organizer: iib2013
  • Place of Presentation: Halkidiki, Greece
• [Presentation] Structure and Dopant Effects of Oxide Grain Boundaries by Atomic Scale STEM Analysis (2013)
  • Author(s): T. Tohei, M. Sakai, Y. Watanabe, N. Shibata, and Y. Ikuhara
  • Organizer: 7th International Conference on the Science and Technology for Advanced Ceramics (STAC7)
  • Place of Presentation: Mielparque, Yokohama
  • Invited
• [Presentation] 原子分解能STEMによる材料界面・微構造の解析 (2013)
  • Author(s): 藤平哲也，柴田直哉, 溝口照康, 幾原雄一
  • Organizer: 第74回応用物理学会秋季学術講演会
  • Place of Presentation: 同志社大学（京都）
  • Invited
• [Presentation] Phonon and related properties of ceramic materials by first principles calculations (2013)
  • Author(s): T. Tohei and Y. Ikuhara
  • Organizer: SNU-UT Workshop on Oxide Systems for Energy & Electric Applications
  • Place of Presentation: Seoul, Korea
• [Presentation] Observation of Microstructures in Doped LaMOX Compounds by Atomic Scale STEM Imaging (2012)
  • Author(s): T. Tohei, T. Mizoguchi, H. Hiramatsu, Y. Kamihara, H. Hosono, and Y. Ikuhara
  • Organizer: 3rd International Symposium on Advanced Microscopy and Theoretical Calculations (AMTC3)
  • Place of Presentation: Gifu, Japan
• [Presentation] 六方晶希土類複合酸化物の強誘電性と微構造 (2012)
  • Author(s): 藤平哲也・幾原雄一・田中功・森分博紀
  • Organizer: 日本金属学会2013年春期講演大会（第152回）
  • Place of Presentation: 愛媛大学（愛媛）