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Coupling Effect between mechanical and electric properties in nano-structured ferroelectrics

Research Project

Project/Area Number 21760073
Research Category

Grant-in-Aid for Young Scientists (B)

Allocation TypeSingle-year Grants
Research Field Materials/Mechanics of materials
Research InstitutionKyoto University

Principal Investigator

SHIMADA Takahiro  Kyoto University, 工学研究科, 助教 (20534259)

Project Period (FY) 2009 – 2010
Project Status Completed (Fiscal Year 2010)
Budget Amount *help
¥4,420,000 (Direct Cost: ¥3,400,000、Indirect Cost: ¥1,020,000)
Fiscal Year 2010: ¥1,820,000 (Direct Cost: ¥1,400,000、Indirect Cost: ¥420,000)
Fiscal Year 2009: ¥2,600,000 (Direct Cost: ¥2,000,000、Indirect Cost: ¥600,000)
Keywordsナノ構造 / 強誘電体 / マルチフィジックス特性 / 第一原理解析 / 分子動力学 / 表面 / 界面 / マルチフィジックス / 強度
Research Abstract

In this study, atomistic and electronic structures of nano-structured ferroelectrics (e.g., nano-films and nano-wires) and the coupling effect between mechanical deformation and ferroelectricity, namely, multi-physics properties, have been investigated using rigorous ab initio (first-principles) density-functional theory calculations. We have revealed that the characteristic surface and edge structures of nano-structured ferroelectrics dominate the ferroelectricity, and that f

Report

(3 results)
  • 2010 Annual Research Report   Final Research Report ( PDF )
  • 2009 Annual Research Report
  • Research Products

    (48 results)

All 2011 2010 2009 Other

All Journal Article (28 results) (of which Peer Reviewed: 20 results) Presentation (17 results) Book (2 results) Remarks (1 results)

  • [Journal Article] Coexistence of rectilinear and vortex polarizations at twist boundaries in ferroelectric PbTiO_3 from first principles2011

    • Author(s)
      Takahiro Shimada, Xiaoyuan Wang, Shogo Tomoda, Pavel Marton, Christian Elsasser, Takayuki Kitamura
    • Journal Title

      Physical Review B(article number 094121) Vol.83

      Pages: 1-9

    • NAID

      120003338832

    • Related Report
      2010 Final Research Report
    • Peer Reviewed
  • [Journal Article] Chrsitian Elsasser, First-principles study of the interplay between grain boundaries and domain walls in ferroelectric PbTiO_32011

    • Author(s)
      Pavel Marton, Takahiro Shimada, Takayuki Kitamura
    • Journal Title

      Physical Review B(article number 064110) Vol.83

      Pages: 1-8

    • Related Report
      2010 Final Research Report
    • Peer Reviewed
  • [Journal Article] First-principles study of the interplay between grain boundaries and domain walls in ferroelectric PbTiO_32011

    • Author(s)
      Pavel Marton, Takahiro Shimada, Takayuki Kitamura, Christian Elsasser
    • Journal Title

      Physical Review B

      Volume: 83

    • Related Report
      2010 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Coexistence of rectilinear and vortex polarizations at twist boundaries in ferroelectric PbTiO_3 from first principles2011

    • Author(s)
      Takahiro Shimada, Xiaoyuan Wang, Shogo Tomoda, Pavel Marton, Christian Elsasser, Takayuki Kitamura
    • Journal Title

      Physical Review B

      Volume: 83

    • NAID

      120003338832

    • Related Report
      2010 Annual Research Report
    • Peer Reviewed
  • [Journal Article] First-principles study on ferroelectricity at PbTiO_3 surface steps2010

    • Author(s)
      Takahiro Shimada, Shogo Tomoda, Takayuki Kitamura
    • Journal Title

      Journal of Physics : Condensed Matter(article number 355901) Vol.22

      Pages: 1-8

    • Related Report
      2010 Final Research Report
    • Peer Reviewed
  • [Journal Article] Ab initio study of ferroelectric closure domains in ultrathin PbTiO_3 films2010

    • Author(s)
      Takahiro Shimada, Shogo Tomoda, Takayuki Kitamura
    • Journal Title

      Physical Review B(article number 144116) Vol.81

      Pages: 1-6

    • NAID

      120002515190

    • Related Report
      2010 Final Research Report
    • Peer Reviewed
  • [Journal Article] Simplified analysis of mechanical instability in three-dimensional atomic components and its application to nanoscale crack2010

    • Author(s)
      Takahiro Shimada, Satoru Okawa, Takayuki Kitamura
    • Journal Title

      Journal of Solid Mechanics and Materials Engineering Vol.4, No.7

      Pages: 1071-1082

    • NAID

      130000302067

    • Related Report
      2010 Final Research Report
    • Peer Reviewed
  • [Journal Article] First-principles study on ferroelectricity at PbTiO_3 surface steps2010

    • Author(s)
      Takahiro Shimada, Shogo Tomoda, Takayuki Kitamura
    • Journal Title

      Journal of Physics : Condensed Matter

      Volume: 22

    • Related Report
      2010 Annual Research Report
    • Peer Reviewed
  • [Journal Article] 第一原理解析に基づく強誘電PbTiO_3ナノ薄膜のClosure Domain構造2010

    • Author(s)
      嶋田隆広, 供田梢吾, 北村隆行
    • Journal Title

      分子動力学シンポジウム講演論文集

      Pages: 9-12

    • Related Report
      2010 Annual Research Report
  • [Journal Article] 第一原理計算に基づく鉄ナノワイヤのマルチフィジックス解析2010

    • Author(s)
      石井義之, 嶋田隆広, 北村隆行
    • Journal Title

      分子動力学シンポジウム講演論文集

      Pages: 63-63

    • Related Report
      2010 Annual Research Report
  • [Journal Article] PbTiO_3ねじり粒界部の強誘電特性とひずみの影響に関する第一原理解析2010

    • Author(s)
      嶋田隆広, Xiaoyuan Wang, 北村隆行
    • Journal Title

      第23回計算力学講演会CD-ROM講演論文集

      Pages: 524-525

    • Related Report
      2010 Annual Research Report
  • [Journal Article] Simplified analysis of mechanical instability in three-dimensional atomic components and its application to a nanoscale crack2010

    • Author(s)
      Takahiro Shimada, Satoru Okawa, Takayuki Kitamura
    • Journal Title

      Journal of Solid Mechanics and Materials Engineering

    • NAID

      130000302067

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Ab initio study of ferroelectric closure domains in ultrathin PbTiO_3 films2010

    • Author(s)
      Takahiro Shimada, Shogo Tomoda, Takayuki Kitamura
    • Journal Title

      Physical Review B

    • NAID

      120002515190

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Ab initio study of magnetism at iron surface under epitaxial in-plane strain2010

    • Author(s)
      Takahiro Shimada, Yoshiyuki Ishii, Takayuki Kitamura
    • Journal Title

      Physical Review B

    • NAID

      120002515189

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Journal Article] First-principles investigation of edged ferroelectric PbTiO_3 nanowires and the role of axial strain2010

    • Author(s)
      Takahiro Shimada, Shogo Tomoda, Takayuki Kitamura
    • Journal Title

      2009 MRS Fall Meeting Symposium F Proceedings

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Journal Article] エッジを有する鉄ナノワイヤの磁気特性とひずみの影響に関する第一原理解析2010

    • Author(s)
      嶋田隆広, 石井義之, 北村隆行
    • Journal Title

      日本機械学会 第85期定時総会講演会講演論文集 104-1

      Pages: 1-5

    • Related Report
      2009 Annual Research Report
  • [Journal Article] Ab initio study of ferroelectricity at edged PbTiO_3 nanowires under axial tension2009

    • Author(s)
      Takahiro Shimada, Shogo Tomoda, Takayuki Kitamura
    • Journal Title

      Physical Review B(article number 024102) Vol.79

      Pages: 1-7

    • Related Report
      2010 Final Research Report
    • Peer Reviewed
  • [Journal Article] Simplified evaluation of mechanical instability in large-scale atomic structures2009

    • Author(s)
      Takahiro Shimada, Satoru Okawa, Shinichiro Minami, Takayuki Kitamura
    • Journal Title

      Materials Science and Engineering A Vols.513-514

      Pages: 166-171

    • Related Report
      2010 Final Research Report
    • Peer Reviewed
  • [Journal Article] Ab initio study of ferroelectricity in edged PbTiO_3 nanowires under axial tension2009

    • Author(s)
      Takahiro Shimada, Shogo Tomoda, Takayuki Kitamura
    • Journal Title

      Physical Review B 79

      Pages: 24102-24102

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Simplified evaluation of mechanical instability in large-scale atomic structures2009

    • Author(s)
      Takahiro Shimada, Satoru Okawa, Shinichiro Minami, Takayuki Kitamura
    • Journal Title

      Materials Science and Engineering A 513-514

      Pages: 166-171

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Development of efficient instability analysis method for atomic structures using linear elements and its application to amorphous metal2009

    • Author(s)
      Takahiro Shimada, Satoru Okawa, Shinichiro Minami, Takayuki Kitamura
    • Journal Title

      Journal of Solid Mechanics and Materials Engineering 3

      Pages: 807-818

    • NAID

      130000127290

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Journal Article] 破壊のナノ力学(第1報 ナノ構造体の界面強度)2009

    • Author(s)
      北村隆行, 澄川貴志, 嶋田隆広
    • Journal Title

      日本機械学会論文集(A編)研究展望 75

      Pages: 778-783

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Journal Article] 破壊のナノ力学(第2報 ナノ要素の強度)2009

    • Author(s)
      北村隆行, 澄川貴志, 嶋田隆広
    • Journal Title

      日本機械学会論文集(A編)研究展望 75

      Pages: 784-791

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Journal Article] 切欠きからの転位発生に関する原子モデル不安定モード解析 -有限温度による不安定変形発生メカニズムの検討-2009

    • Author(s)
      梅野宜崇, 嶋田隆広, 北村隆行
    • Journal Title

      日本機械学会論文集(A編) 75

      Pages: 1247-1254

    • NAID

      110007358707

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Journal Article] 一次要素を用いた不安定変形評価法の開発とき裂を有する原子構造体への適用2009

    • Author(s)
      嶋田隆広, 大川暁, 北村隆行
    • Journal Title

      日本機械学会 2009年度年次大会講演論文集 8

      Pages: 53-54

    • Related Report
      2009 Annual Research Report
  • [Journal Article] PbTiO_3表面ステップの強誘電特性に関する第一原理解析2009

    • Author(s)
      嶋田隆広, 供田梢吾, 北村隆行
    • Journal Title

      日本機械学会 第22回計算力学講演会講演論文集 09-21

      Pages: 292-293

    • Related Report
      2009 Annual Research Report
  • [Journal Article] 第一原理計算に基づく(001)表面を有する鉄ナノ薄膜のマルチフィジックス解析2009

    • Author(s)
      石井義之, 嶋田隆広, 北村隆行
    • Journal Title

      日本機械学会 第22回計算力学講演会講演論文集 09-21

      Pages: 300-301

    • Related Report
      2009 Annual Research Report
  • [Journal Article] 第一原理計算に基づく強誘電PbTiO_3ナノワイヤのマルチフィジックス解析2009

    • Author(s)
      嶋田隆広, 供田梢吾, 北村隆行
    • Journal Title

      日本機械学会 第1回マイクロ・ナノ工学シンポジウム講演論文集

      Pages: 37-38

    • Related Report
      2009 Annual Research Report
  • [Presentation] 量子計算に基づくナノ構造体の強誘電特性とその力学的制御2010

    • Author(s)
      嶋田隆広, 北村隆行
    • Organizer
      日本材料学会関西支部 第5回若手シンポジウム
    • Place of Presentation
      しあわせの村(兵庫)
    • Year and Date
      2010-12-10
    • Related Report
      2010 Annual Research Report
  • [Presentation] エッジを有する強磁性ナノワイヤの第一原理マルチフィジックス解析2010

    • Author(s)
      石井義之, 嶋田隆広, 北村隆行
    • Organizer
      日本機械学会M&M2010材料力学カンファレンス
    • Place of Presentation
      長岡技術科学大学
    • Year and Date
      2010-10-10
    • Related Report
      2010 Annual Research Report
  • [Presentation] PbTiO_3ねじり粒界部の強誘電特性とひずみの影響に関する第一原理解析2010

    • Author(s)
      嶋田隆広, Xiaoyuan Wang, 北村隆行
    • Organizer
      日本機械学会 第23回計算力学講演会
    • Place of Presentation
      北見工業大学
    • Year and Date
      2010-09-24
    • Related Report
      2010 Annual Research Report
  • [Presentation] First-principles study of critical thickness of ferroelectric polydomain PbTiO_3 ultrathin films2010

    • Author(s)
      Takahiro Shimada, Takayuki Kitamura
    • Organizer
      Psi-k 2010 Conference
    • Place of Presentation
      Berlin, Germany
    • Year and Date
      2010-09-14
    • Related Report
      2010 Final Research Report
  • [Presentation] First-principles study of critical thickness of ferroelectric polydomain PbTiO_3 ultrathin films2010

    • Author(s)
      Takahiro Shimada, Takayuki Kitamura
    • Organizer
      Ψ_k (Psi-k) 2010 Conference
    • Place of Presentation
      Berlin, Germany
    • Year and Date
      2010-09-14
    • Related Report
      2010 Annual Research Report
  • [Presentation] First-principles study of strain effects on magnetism at iron (001) surfaces2010

    • Author(s)
      Yoshiyuki Ishii, Takahiro Shimada, Takayuki Kitamura
    • Organizer
      Ψ_k (Psi-k) 2010 Conference
    • Place of Presentation
      Berlin, Germany
    • Year and Date
      2010-09-14
    • Related Report
      2010 Annual Research Report
  • [Presentation] 第一原理解析に基づく強誘電PbTiO_3ナノ薄膜のClosure Domain構造2010

    • Author(s)
      嶋田隆広, 供田梢吾, 北村隆行
    • Organizer
      日本材料学会 第15回分子動力学シンポジウム
    • Place of Presentation
      札幌コンベンションセンター
    • Year and Date
      2010-05-21
    • Related Report
      2010 Annual Research Report
  • [Presentation] 第一原理計算に基づく鉄ナノワイヤのマルチフィジックス解析2010

    • Author(s)
      石井義之, 嶋田隆広, 北村隆行
    • Organizer
      日本材料学会 第15回分子動力学シンポジウム
    • Place of Presentation
      札幌コンベンションセンター
    • Year and Date
      2010-05-21
    • Related Report
      2010 Annual Research Report
  • [Presentation] エッジを有する鉄ナノワイヤの磁気特性とひずみの影響に関する第一原理解析2010

    • Author(s)
      嶋田隆広, 石井義之, 北村隆行
    • Organizer
      日本機械学会関西支部 第85回定時総会講演会
    • Place of Presentation
      神戸大学 六甲台キャンパス
    • Year and Date
      2010-03-16
    • Related Report
      2009 Annual Research Report
  • [Presentation] (001)表面を有するFeナノ薄膜の磁気特性とひずみの影響に関する第一原理解析2009

    • Author(s)
      石井義之, 嶋田隆広, 北村隆行
    • Organizer
      日本材料学会関西支部 第4回若手シンポジウム
    • Place of Presentation
      アーブしが(滋賀)
    • Year and Date
      2009-12-04
    • Related Report
      2009 Annual Research Report
  • [Presentation] First-prnciples investigation of edged ferroelectric PbTiO_3 nanowires and the role of axial strain2009

    • Author(s)
      Takahiro Shimada, Shogo Tomoda, Takayuki Kitamura
    • Organizer
      MRS fall meeting 2009
    • Place of Presentation
      Boston, USA
    • Year and Date
      2009-12-02
    • Related Report
      2010 Final Research Report
  • [Presentation] First-principles investigation of edged ferroelectric PbTiO3 nanowires and the role of axial strain2009

    • Author(s)
      Takahiro Shimada, Shogo Tomoda, Takayuki Kitamura
    • Organizer
      2009 MRS fall meeting
    • Place of Presentation
      Boston, USA
    • Year and Date
      2009-12-02
    • Related Report
      2009 Annual Research Report
  • [Presentation] Simplified analysis of mechanical instability in three-dimensional atomic components and its application to a nanoscale crack2009

    • Author(s)
      Takahiro Shimada, Satoru Okawa, Takayuki Kitamura
    • Organizer
      Asian Pacific Conference for Materials and Mechanics 2009 (APCMM2009)
    • Place of Presentation
      Yokohama, Japan
    • Year and Date
      2009-11-14
    • Related Report
      2010 Final Research Report 2009 Annual Research Report
  • [Presentation] 第一原理計算に基づく強誘電PbTiO_3ナノワイヤのマルチフィジックス解析2009

    • Author(s)
      嶋田隆広, 供田梢吾, 北村隆行
    • Organizer
      日本機械学会 第1回マイクロ・ナノ工学シンポジウム
    • Place of Presentation
      タワーホール船堀(東京)
    • Year and Date
      2009-10-15
    • Related Report
      2009 Annual Research Report
  • [Presentation] PbTiO_3表面ステップの強誘電特性に関する第一原理解析2009

    • Author(s)
      嶋田隆広, 供田梢吾, 北村隆行
    • Organizer
      日本機械学会 第22回計算力学講演会
    • Place of Presentation
      金沢大学 角間キャンパス
    • Year and Date
      2009-10-11
    • Related Report
      2009 Annual Research Report
  • [Presentation] 第一原理計算に基づく(001)表面を有する鉄ナノ薄膜のマルチフィジックス解析2009

    • Author(s)
      石井義之, 嶋田隆広, 北村隆行
    • Organizer
      日本機械学会 第22回計算力学講演会
    • Place of Presentation
      金沢大学 角間キャンパス
    • Year and Date
      2009-10-11
    • Related Report
      2009 Annual Research Report
  • [Presentation] 一次要素を用いた不安定変形評価法の開発とき裂を有する原子構造体への適用2009

    • Author(s)
      嶋田隆広, 大川暁, 北村隆行
    • Organizer
      日本機械学会 2009年度年次大会
    • Place of Presentation
      岩手大学
    • Year and Date
      2009-09-14
    • Related Report
      2009 Annual Research Report
  • [Book] Nanowires edited by Paola Prete(Chap.18 Multi-physics Properties in Ferroelectric Nanowires and Related Structures from First-principles)2010

    • Author(s)
      Takahiro Shimada, Takayuki Kitamura
    • Total Pages
      414
    • Publisher
      Intech
    • Related Report
      2010 Final Research Report
  • [Book] Multi-physics Properties in Ferroelectric Nanowires and Related Structures from First-principles(NANOWIRES edited by Paola Prete, Chap18)2010

    • Author(s)
      Takahiro Shimada, Takayuki Kitamura
    • Total Pages
      414
    • Publisher
      INTECH
    • Related Report
      2010 Annual Research Report
  • [Remarks] ホームページ等

    • URL

      http://cyber.kues.kyoto-u.ac.jp/

    • Related Report
      2010 Final Research Report

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Published: 2009-04-01   Modified: 2016-04-21  

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