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Theoretical Characterization of Heterointerfaces in Thin Films

Research Project

Project/Area Number 22560680
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeSingle-year Grants
Section一般
Research Field Inorganic materials/Physical properties
Research InstitutionJapan Fine Ceramics Center

Principal Investigator

FISHER Craig  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, 上級研究員 (80524925)

Project Period (FY) 2010 – 2012
Project Status Completed (Fiscal Year 2012)
Budget Amount *help
¥4,420,000 (Direct Cost: ¥3,400,000、Indirect Cost: ¥1,020,000)
Fiscal Year 2012: ¥780,000 (Direct Cost: ¥600,000、Indirect Cost: ¥180,000)
Fiscal Year 2011: ¥780,000 (Direct Cost: ¥600,000、Indirect Cost: ¥180,000)
Fiscal Year 2010: ¥2,860,000 (Direct Cost: ¥2,200,000、Indirect Cost: ¥660,000)
Keywordsイオン拡散 / 欠陥構造 / 電子状態 / 異相界面 / 粒界 / 表面 / 酸化物 / エネルギー材料 / 理論計算 / 第一原理計算 / 酸化物薄膜 / 酸素イオン伝導性 / 超伝導体 / ペロブスカイト型酸化物
Research Abstract

Advanced theoretical methods were used to examine the important effect of heterointerfaces on materials used in energy devices. Focus was directed towards interfaces between two oxides as few examples of such studies exist in the literature. Interfaces including grain boundaries, surfaces and heterointerfaces in a number of thin film systems were examined. The effects of strain at the interface were shown to be particularly important. In addition to providing insights into materials structures and properties, this study has provided an important basis for developing efficient methods for systematically studying heterointerfaces of complex oxides.

Report

(4 results)
  • 2012 Annual Research Report   Final Research Report ( PDF )
  • 2011 Annual Research Report
  • 2010 Annual Research Report
  • Research Products

    (24 results)

All 2013 2012 2011 2010 Other

All Journal Article (4 results) (of which Peer Reviewed: 4 results) Presentation (16 results) (of which Invited: 1 results) Book (1 results) Remarks (3 results)

  • [Journal Article] Domain Formation in Anatase TiO_2 Thin Films on LaAlO_3 Substrates2012

    • Author(s)
      Shijian Zheng, Craig A. J. Fisher, Takeharu Kato, Yuki Nagao, Hiromichi Ohta, Yuichi Ikuhara
    • Journal Title

      Appl. Phys. Lett.

      Volume: 101

    • Related Report
      2012 Final Research Report
    • Peer Reviewed
  • [Journal Article] Domain formation in anatase TiO2 thin films on LaAlO3 substrates2012

    • Author(s)
      SJ. Zheng, CAJ. Fisher, T. Kato, Y. Nagao, H. Ohta, Y. Ikuhara
    • Journal Title

      Applied Physics Letters

      Volume: 101[19] Issue: 19 Pages: 191602-191602

    • DOI

      10.1063/1.4766338

    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Computer Simulation of Coherent BaZrO_3/MgO Interfaces2011

    • Author(s)
      Craig A. J. Fisher, Akihide Kuwabara, Hiroki Moriwake
    • Journal Title

      J. Ceram. Soc. Jpn.

      Volume: 119 Pages: 861-866

    • Related Report
      2012 Final Research Report
    • Peer Reviewed
  • [Journal Article] Computer Simulation of Coherent BaZrO_3/MgO Interfaces2011

    • Author(s)
      Craig Fisher, Akihide Kuwabara, Hiroki Moriwake
    • Journal Title

      Journal of the Ceramic Society of Japan

      Volume: 119 Pages: 861-866

    • Related Report
      2011 Annual Research Report
    • Peer Reviewed
  • [Presentation] Atomic Level Investigations of Interfaces of Lithium Ion Battery Cathode Materials2013

    • Author(s)
      C. A. J. Fisher, S. Zheng, R. Huang, T. Ogawa, A. Kuwabara, H. Moriwake, M. S. Islam, Y. Ikuhara
    • Organizer
      Munich Battery Discussions : Lifetime and Ageing of Battery Materials and Systems
    • Place of Presentation
      ドイツ, ガーヒング
    • Year and Date
      2013-03-14
    • Related Report
      2012 Final Research Report
  • [Presentation] Atomic Level Investigations of Interfaces of Lithium Ion Battery Cathode Materials2013

    • Author(s)
      C. A. J. Fisher
    • Organizer
      Munich Battery Discussions: Lifetime and Ageing of Battery Materials and Systems
    • Place of Presentation
      ドイツ、ミュンヘン
    • Related Report
      2012 Annual Research Report
    • Invited
  • [Presentation] Heterogeneous Interfaces in YBCO Thin Film Superconductors2012

    • Author(s)
      C.A.J.Fisher, Y.Sugawara, T.Kato, A.Kuwabara, H.Moriwake
    • Organizer
      Zing Conference on Solid State Chemistry
    • Place of Presentation
      スペイン、ランザロテ
    • Year and Date
      2012-02-25
    • Related Report
      2011 Annual Research Report
  • [Presentation] Defects, Dopants and Ion Conductivity in A^<3+>B^<3+>O_3 Perovskite Oxides : A Systematic Comparison2012

    • Author(s)
      Craig Fisher, Akihide Kuwabara, Hiroki Moriwake
    • Organizer
      Zing Conference on Solid State Chemistry
    • Place of Presentation
      スペイン、ランザロテ
    • Year and Date
      2012-02-25
    • Related Report
      2011 Annual Research Report
  • [Presentation] Modeling of Oxide Interfaces2012

    • Author(s)
      C. A. J. Fisher, A. Kuwabara, H. Moriwake, H. Oki, Y. Ikuhara
    • Organizer
      36th International Conference and Expo on Advanced Ceramics and Composites (ICACC2012)
    • Place of Presentation
      米国, デイトナビーチ
    • Year and Date
      2012-01-24
    • Related Report
      2012 Final Research Report
  • [Presentation] Modeling of Oxide Interfaces2012

    • Author(s)
      C.A.J.Fisher, A.Kuwabara, H.Moriwake, H.Oki, Y.Ikuhara
    • Organizer
      36th International Conference and Expo on Advaneed Ceramics and Composites (ICACC2012)
    • Place of Presentation
      米国、デイトナビーチ
    • Year and Date
      2012-01-24
    • Related Report
      2011 Annual Research Report
  • [Presentation] Lithium Battery Cathode Material Li2MnSiO4: Surface Structures and Properties2012

    • Author(s)
      C. A. J. Fisher
    • Organizer
      13th Asian Conference on Solid State Ionics (ACSSI-2012)
    • Place of Presentation
      仙台
    • Related Report
      2012 Annual Research Report
  • [Presentation] Surface Structures of Li2MnSiO4 and Their Effect on Li Ion Migration2012

    • Author(s)
      C. A. J. Fisher
    • Organizer
      63rd Annual Meeting of the International Society of Electrochemistry (ISE-2012)
    • Place of Presentation
      チェコ、プラハ
    • Related Report
      2012 Annual Research Report
  • [Presentation] Surfaces of Lithium Ion Battery Cathode Materials LiCoO2, LiFePO4 and Li2MnSiO42012

    • Author(s)
      C. A. J. Fisher
    • Organizer
      7th General Meeting of the Asian Consortium on Computational Materials Science (ACCMS)
    • Place of Presentation
      仙台
    • Related Report
      2012 Annual Research Report
  • [Presentation] Surface Structures of Three Polymorphs of Lithium-Ion Battery Cathode Material Li2MnSiO42012

    • Author(s)
      C. A. J. Fisher
    • Organizer
      International Conference on Electronic Materials (IUMRS-ICEM) 2012
    • Place of Presentation
      横浜
    • Related Report
      2012 Annual Research Report
  • [Presentation] 原子レベルによるBaZrO_3/MgO異相界面の構造・特性2011

    • Author(s)
      クレイグ・フィッシャー, 桑原彰秀, 森分博紀
    • Organizer
      第21回日本MRS学術シンポジウム
    • Place of Presentation
      横浜市
    • Year and Date
      2011-12-19
    • Related Report
      2012 Final Research Report
  • [Presentation] 原子レベルによるBaZrO_3/MgO異相界面の構造・特性2011

    • Author(s)
      クレイグ・フィッシャー、桑原彰秀、森分博紀
    • Organizer
      第21回日本MRS学術シンポジウム
    • Place of Presentation
      横浜市開港記念会館
    • Year and Date
      2011-12-19
    • Related Report
      2011 Annual Research Report
  • [Presentation] A^<3+>B^<3+>O_3型ペロブスカイトにおける点欠陥およびイオン拡散2010

    • Author(s)
      クレイグ・フィッシャー、桑原彰秀、森分博紀
    • Organizer
      第20回日本MRS学術シンポジウム
    • Place of Presentation
      横浜市開港記念会館
    • Year and Date
      2010-12-20
    • Related Report
      2010 Annual Research Report
  • [Presentation] A^<3+>B^<3+>O_3ペロブスカイト型酸化物における酸素イオン拡散の理論計算2010

    • Author(s)
      クレイグ・フィッシャー、桑原彰秀、森分博紀
    • Organizer
      第36回固体イオニクス討論会
    • Place of Presentation
      仙台市情報・産業プラザ
    • Year and Date
      2010-11-24
    • Related Report
      2010 Annual Research Report
  • [Presentation] Atomistic Simulation of MgO/BaZrO_3 Heterointerfaces2010

    • Author(s)
      Craig Fisher, Akihide Kuwabara, Hiroki Moriwake
    • Organizer
      3rd International Congress on Ceramics (ICC3)
    • Place of Presentation
      グランドキューブ大阪
    • Year and Date
      2010-11-16
    • Related Report
      2010 Annual Research Report
  • [Presentation] Systematic Comparison of Ionic Conductivities in Perovskites A^<3+>B^<3+>O_32010

    • Author(s)
      Craig Fisher
    • Organizer
      2010 Spring Meeting of the European Materials Research Society
    • Place of Presentation
      フランス、ストラスブルグ
    • Year and Date
      2010-07-07
    • Related Report
      2010 Annual Research Report
  • [Book] "Energy Materials: Lithium Ion Batteries", in Computational Approaches to Energy Materials, 1st ed., A. Walsh, A. A. Sokol and C. R. A. Catlow (eds)2013

    • Author(s)
      M. Saiful Islam and Craig A. J. Fisher
    • Publisher
      John Wiley & Sons, Ltd.
    • Related Report
      2012 Final Research Report
  • [Remarks] Symposium D-5 "Advanced Computational and Materials Science", International Union of Materials Research Societies-International Conference on Electronic Materials (IUMRS-ICEM2012), 横浜市, 2012年

    • Related Report
      2012 Final Research Report
  • [Remarks] セッションH「計算機シミュレーションによる格子欠陥やナノ構造の解明 : 新規材料創製を目指して」,第21回日本MRS学術シンポジウム,横浜市,2011年.

    • Related Report
      2012 Final Research Report
  • [Remarks] セッションI「計算機シミュレーションによる格子欠陥やナノ構造の解明 : 新規材料創製を目指して」第20回日本MRS学術シンポジウム,横浜市,2010年.

    • Related Report
      2012 Final Research Report

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Published: 2010-08-23   Modified: 2019-07-29  

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