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2009 Fiscal Year Final Research Report

Quantification of nonstoichiometry in ceramic grain boundary

Research Project

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Project/Area Number 20760449
Research Category

Grant-in-Aid for Young Scientists (B)

Allocation TypeSingle-year Grants
Research Field Inorganic materials/Physical properties
Research InstitutionThe University of Tokyo

Principal Investigator

MIZOGUCHI Teruyasu  The University of Tokyo, 生産技術研究所, 准教授 (70422334)

Project Period (FY) 2008 – 2009
Keywords結晶界面 / ノンストイキオメトリー / 欠陥 / 電子顕微鏡 / 第一原理計算
Research Abstract

Atomic and electronic structures of crystal interfaces are usually different from that in a single crystal. Thus, the polycrystalline materials can often bring about different properties from that of the single crystals. In this study, atomic structure, electronic structure, and nonstoichiometry in the vicinity of the interface were investigated by combining electron microscopy, spectroscopy, and theoretical calculation. Through this project, the site-by-site defect formation behaviors and relationships between the distortion, chemical bonding, and defect formation at the interface were revealed. I believe that the way for the materials design by controlling the interface nonstoichiometry is paved by this project.

  • Research Products

    (29 results)

All 2009 2008

All Journal Article (21 results) (of which Peer Reviewed: 21 results) Presentation (8 results)

  • [Journal Article] Fabrication of electrically conductive nanowires using high-density dislocations in AlN thin films2009

    • Author(s)
      Y. Tokumoto, S. Amma, N. Shibata, T. Mizoguchi, T. Yamamoto, Y. Ikuhara
    • Journal Title

      J. Appl. Phys. 106

      Pages: 124307-1-4

    • Peer Reviewed
  • [Journal Article] Direct imaging of doped fluorine in LaFeAsO1-xFx superconductor by atomic scale spectroscopy2009

    • Author(s)
      T. Tohei, T. Mizoguchi, H. Hiramatsu, H. Hosono, Y. Ikuhara
    • Journal Title

      Appl. Phys. Lett. 95

      Pages: 193107-1-3

    • Peer Reviewed
  • [Journal Article] 電子エネルギー損失分光(EELS)と第一原理計算を組み合わせた原子・電子構造解析2009

    • Author(s)
      溝口照康, 幾原雄一
    • Journal Title

      セラミックス 9

      Pages: 702-707

    • Peer Reviewed
  • [Journal Article] Atomic-scale segregation behavior of Pr at a ZnO [0001] sigma49 tilt grain boundary2009

    • Author(s)
      Y. Sato, T. Mizoguchi, N. Shibata, T. Yamamoto, T. Hirayama, Y. Ikuhara
    • Journal Title

      Phys. Rev. B 80

      Pages: 094114-1-7

    • Peer Reviewed
  • [Journal Article] Magnetic properties of ilmenite-hematite solid-solution thin films: Direct observation of antiphase boundaries and their correlation with magnetism2009

    • Author(s)
      H. Hojo, K. Fujita, T. Mizoguchi, K. Hirao, I. Tanaka, K. Tanaka, Y. Ikuhara
    • Journal Title

      Phys. Rev. B. 80

      Pages: 075414-1-5

    • Peer Reviewed
  • [Journal Article] Transmission electron microscopy and scanning transmission electron microscopy study on B-site cation ordered structures in a (1-x)Pb(Mg1/3Nb2/3)O3-xPbTiO3 single crystal2009

    • Author(s)
      Y. Sato, T. Mizoguchi, N. Shibata, H. Moriwake, T. Hirayama, Y. Ikuhara
    • Journal Title

      Appl. Phys. Lett. 95

      Pages: 22906-1-3

    • Peer Reviewed
  • [Journal Article] Atomic-scale imaging of individual dopant atoms in a buried interface2009

    • Author(s)
      N. Shibata, S.D. Findlay, S. Azuma, T. Mizoguchi, T. Yamamoto, Y. Ikuhara
    • Journal Title

      Nat. Mater. 8

      Pages: 654-658

    • Peer Reviewed
  • [Journal Article] First Principles Study on Intrinsic Vacancies in Cubic and Orthorhombic CaTiO32009

    • Author(s)
      HS. Lee, T. Mizoguchi, T. Yamamoto, Y. Ikuhara
    • Journal Title

      Mater. Trans. 50

      Pages: 977-983

    • Peer Reviewed
  • [Journal Article] First Principles Calculations of Vacancy Formation Energies in s13 Pyramidal Twin Grain Boundary of α-Al2O32009

    • Author(s)
      N. Takahashi, T. Mizoguchi, T. Tohei, K. Nakamura, T. Nakagawa, N. Shibata, T. Yamamoto, Y. Ikuhara
    • Journal Title

      Mater. Trans 50

      Pages: 1019-1022

    • Peer Reviewed
  • [Journal Article] Interface Structures of Gold Nanoparticles on TiO2 (110)2009

    • Author(s)
      N. Shibata, A. Goto, K. Matsunaga, T. Mizoguchi, T. Yamamoto, Y. Ikuhara
    • Journal Title

      Phys. Rev. Lett. 102

      Pages: 136105-1-4

    • Peer Reviewed
  • [Journal Article] Excitonic Effects in X-ray Absorption Near Edge Structure From First Principles2009

    • Author(s)
      W. Olovsson, I. Tanaka, T. Mizoguchi, P. Puschnig, C. Ambrosch-Draxl
    • Journal Title

      Phisical Review B 79

      Pages: 041102(R)-1-4

    • Peer Reviewed
  • [Journal Article] 3D Shape and Orientation of Nanoscale Pb Inclusions at Grain Boundaries in Al Observed by TEM and STEM Tomography2009

    • Author(s)
      T. Mizoguchi, U. Dahmen
    • Journal Title

      Phil. Mag. Lett. 89

      Pages: 104-112

    • Peer Reviewed
  • [Journal Article] First principles calculation of spectral feature, chemical shift, and absolute threshold of ELNES and XANES using plane wave pseudopotential method2009

    • Author(s)
      T. Mizoguchi, I. Tanaka, S Gao, C.J. Pickard
    • Journal Title

      J. Phys.: Cond. Matter. 21

      Pages: 104204-1-6

    • Peer Reviewed
  • [Journal Article] Overlap population diagram for ELNES and XANES: peak assignment and interpretation2009

    • Author(s)
      T. Mizoguchi
    • Journal Title

      Phys.: Cond. Matter. 21

      Pages: 104215-1-12

    • Peer Reviewed
  • [Journal Article] First principles calculations of XANES and ELNES: present and future2009

    • Author(s)
      I. Tanaka, T. Mizoguchi
    • Journal Title

      Phys.: Cond. Matter. 21

      Pages: 104201-1-9

    • Peer Reviewed
  • [Journal Article] First principles calculation of oxygen-K electron energy loss near edge structure of HfO22009

    • Author(s)
      T. Mizoguchi, M. Saitoh, Y. Ikuhara
    • Journal Title

      J. Phys.: Cond. Matter. 21

      Pages: 1042121-1-6

    • Peer Reviewed
  • [Journal Article] Microstructure evolution of Ca0. 33CoO2 thin films investigated by HAADF-STEM2009

    • Author(s)
      R. Huang, T. Mizoguchi, K. Sugiura, H. Ohta, T. Saito, K. Koumoto, T. Hirayama, Y. Ikuhara
    • Journal Title

      J. Mater. Res. 24

      Pages: 279-287

    • Peer Reviewed
  • [Journal Article] Atomic Structure, Electronic Structure, and Defect Energetics in [001](310)Σ5 Grain Boundaries of SrTiO3 and BaTiO32008

    • Author(s)
      M. Imaeda, T. Mizoguchi, Y. Sato, H.S. Lee, N. Shibata, T. Yamamoto, Y. Ikuhara
    • Journal Title

      hysical Review B 78

      Pages: 245320-1-12

    • Peer Reviewed
  • [Journal Article] Direct observations of Ca ordering in Ca0. 33CoO2 thin films with different superstructures2008

    • Author(s)
      R. Huang, T. Mizoguchi, K. Sugiura, H. Ohta, T. Saito, K. Koumoto, T. Hirayama, Y. Ikuhara
    • Journal Title

      Appl. Phys. Lett. 93

      Pages: 181907-1-3

    • Peer Reviewed
  • [Journal Article] Direct Imaging of Reconstructed Atoms on TiO2 (110) Surfaces2008

    • Author(s)
      N. Shibata, A. Goto, S-Y. Choi, T. Mizoguchi, S.D. Findlay, T. Yamamoto, Y. Ikuhara
    • Journal Title

      Science 322

      Pages: 570-573

    • Peer Reviewed
  • [Journal Article] Critical thickness for giant thermoelectric Seebeck coefficient of 2DEG confined in SrTiO3/SrTi0. 8Nb0. 2O3 superlattices2008

    • Author(s)
      H. Ohta, Y. Mune, K. koumoto, T. Mizoguchi, Y. Ikuhara
    • Journal Title

      THIN SOLID FILMS 516

      Pages: 5916-1920

    • Peer Reviewed
  • [Presentation] EELS and first principles investigations of crystal interface2009

    • Author(s)
      T. Mizoguchi, I. Tanaka, E. Tochigi, W. Olvsson, H. Ikeno, T. Yamamoto, Y. Ikuhara
    • Organizer
      Electron microscopy and multi-scale modeling (EMMM) 2009
    • Place of Presentation
      チューリッヒ市、スイス
    • Year and Date
      2009-10-28
  • [Presentation] STEM-EELSと第一原理計算による材料解析2009

    • Author(s)
      溝口照康
    • Organizer
      第二回JEOLユーザーズミーティング
    • Place of Presentation
      東京
    • Year and Date
      2009-10-23
  • [Presentation] 第一原理計算によるスペクトル解釈2009

    • Author(s)
      溝口照康
    • Organizer
      第25回分析電子顕微鏡討論会
    • Place of Presentation
      幕張
    • Year and Date
      2009-09-01
  • [Presentation] 第一原理計算を用いた誘電体中格子不整合領域の研究2009

    • Author(s)
      溝口照康
    • Organizer
      第107回誘電体研究委員会
    • Place of Presentation
      東京
    • Year and Date
      2009-07-17
  • [Presentation] Theoretical and experimental ELNES: Applications to materials science2009

    • Author(s)
      Teruyasu Mizoguchi
    • Organizer
      EDGE 2009: International EELS-Workshop
    • Place of Presentation
      バンフ市、カナダ
    • Year and Date
      2009-05-22
  • [Presentation] 超高分解能STEMとEELSによるナノ界面研究2009

    • Author(s)
      溝口照康、柴田直哉, 幾原雄一
    • Organizer
      応用物理学会, 2009年春季大会
    • Place of Presentation
      筑波大学
    • Year and Date
      2009-03-31
  • [Presentation] STEM, EELSおよび第一原理計算を用いた誘電体研究2008

    • Author(s)
      溝口照康
    • Organizer
      第101回誘電体研究会
    • Place of Presentation
      東京
    • Year and Date
      2008-07-17
  • [Presentation] Overlap population for ELNES and XANES2008

    • Author(s)
      Teruyasu Mizoguchi
    • Organizer
      The first international workshop on theoretical calculation of ELNES and XANES
    • Place of Presentation
      名古屋
    • Year and Date
      2008-07-02

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Published: 2011-06-18   Modified: 2016-04-21  

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