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Design and search for frontier thermoelectric materials by

Research Project

Project/Area Number 23760647
Research Category

Grant-in-Aid for Young Scientists (B)

Allocation TypeMulti-year Fund
Research Field Inorganic materials/Physical properties
Research InstitutionThe University of Tokyo (2013-2014)
The Institute of Physical and Chemical Research (2011-2012)

Principal Investigator

KATSURA Yukari  東京大学, 工学(系)研究科(研究院), 研究員 (00553760)

Project Period (FY) 2011-04-28 – 2015-03-31
Project Status Completed (Fiscal Year 2014)
Budget Amount *help
¥4,420,000 (Direct Cost: ¥3,400,000、Indirect Cost: ¥1,020,000)
Fiscal Year 2014: ¥780,000 (Direct Cost: ¥600,000、Indirect Cost: ¥180,000)
Fiscal Year 2013: ¥780,000 (Direct Cost: ¥600,000、Indirect Cost: ¥180,000)
Fiscal Year 2012: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000)
Fiscal Year 2011: ¥1,560,000 (Direct Cost: ¥1,200,000、Indirect Cost: ¥360,000)
Keywords熱電変換 / 第一原理計算 / 電子構造 / 熱伝導率 / 輸送特性 / 新物質探索 / 第一原理電子状態計算 / MgSrSi型化合物 / スズ硫化物 / 物質探索
Outline of Final Research Achievements

Because of their ability to convert temperature difference and electricity, thermoelectric materials are used as cooling or power-generation devices. However, substutute materials are under search, because of the toxicity and rareness of the constituent elements of the current thermoelectric materials. In this study, we developed calculation methods to evaluate if the electronic structure and the phonon structure of the material are promising enough to satisfy the target values for conversion efficiency and thermal resistivity. We carried out such calculations over 500 compounds, to reveal the characteristics of compounds with high efficiency and high thermal resistivity. Some compounds found during the study were synthesized and evaluated. We found that MgSrSi-type compounds and tin sulfides inckuding SnS and Sn2S3 are promising candidate thermoelectric materials with extremely low thermal conductivity.

Report

(5 results)
  • 2014 Annual Research Report   Final Research Report ( PDF )
  • 2013 Research-status Report
  • 2012 Research-status Report
  • 2011 Research-status Report
  • Research Products

    (21 results)

All 2015 2014 2013 2012 2011 Other

All Journal Article (6 results) (of which Peer Reviewed: 2 results) Presentation (14 results) (of which Invited: 4 results) Remarks (1 results)

  • [Journal Article] 計算科学基礎講座 熱電研究のための第一原理計算入門 第1回 密度汎関数法による第一原理バンド計算2014

    • Author(s)
      桂 ゆかり
    • Journal Title

      日本熱電学会誌

      Volume: 10,3 Pages: 20-25

    • Related Report
      2014 Annual Research Report
  • [Journal Article] 計算科学基礎講座 熱電研究のための第一原理計算入門 第2回 バンド計算から得られる情報2014

    • Author(s)
      桂 ゆかり
    • Journal Title

      日本熱電学会誌

      Volume: 11,1 Pages: 18-25

    • Related Report
      2014 Annual Research Report
  • [Journal Article] 計算科学基礎講座 熱電研究のための第一原理計算入門 第3回 Boltzmann輸送方程式による熱電特性計算2014

    • Author(s)
      桂 ゆかり
    • Journal Title

      日本熱電学会誌

      Volume: 11,2 Pages: 19-30

    • Related Report
      2014 Annual Research Report
  • [Journal Article] Superconductivity at 6 K and the Violation of Pauli Limit in Ta2PdxS52014

    • Author(s)
      Yangfan Lu, Tomohiro Takayama, Alimamy F. Bangura, Yukari Katsura, Daisuke Hashizume, Hidenori Takagi
    • Journal Title

      J. Phys. Soc. Jpn.

      Volume: 83 Issue: 2 Pages: 23702-23702

    • DOI

      10.7566/jpsj.83.023702

    • NAID

      210000132937

    • Related Report
      2013 Research-status Report
    • Peer Reviewed
  • [Journal Article] 計算科学基礎講座 熱電研究のための第一原理計算入門 第1回 密度汎関数法による第一原理バンド計算2014

    • Author(s)
      桂 ゆかり
    • Journal Title

      日本熱電学会誌

      Volume: 10, vol. 3 Pages: 20-25

    • Related Report
      2013 Research-status Report
  • [Journal Article] MgSrSi-Type Compounds as a Possible New Family of Thermoelectric Materials2012

    • Author(s)
      Yukari Katsura, Hidenori Takagi
    • Journal Title

      Journal of Electronic Materials

      Volume: In Press Issue: 7 Pages: 1-4

    • DOI

      10.1007/s11664-012-2226-z

    • Related Report
      2013 Research-status Report 2012 Research-status Report
    • Peer Reviewed
  • [Presentation] Material dependence of maximum possible ZT and minimum thermal conductivity2015

    • Author(s)
      Yukari Katsura
    • Organizer
      The 34th International Conference of Thermoelectrics (ICT2015) / 13th European Conference on Thermoelectrics (ECT2015)
    • Place of Presentation
      Dresden, Germany
    • Year and Date
      2015-06-28 – 2015-07-02
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] 最低熱伝導率の観点に基づく低熱伝導率材料の候補物質2015

    • Author(s)
      桂ゆかり, 高木英典
    • Organizer
      第62回応用物理学会春季学術講演会
    • Place of Presentation
      東海大学湘南キャンパス, 神奈川県平塚市
    • Year and Date
      2015-03-11 – 2015-03-14
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] First-principles calculation of minimum thermal conductivity to design low thermal conductivity materials2015

    • Author(s)
      Yukari Katsura, Hidenori Takagi, Atsushi Oshiyama
    • Organizer
      The 2015 Symposium for the Promotion of Applied Research Collaboration in Asia (SPARCA 2015)
    • Place of Presentation
      Taipei, Taiwan
    • Year and Date
      2015-02-08 – 2015-02-11
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] 最低熱伝導率計算に基づく新規低熱伝導率材料の設計指針2014

    • Author(s)
      桂ゆかり, 高木英典
    • Organizer
      第11回日本熱電学会学術講演会
    • Place of Presentation
      物質・材料研究機構, 茨城県つくば市
    • Year and Date
      2014-09-29 – 2014-09-30
    • Related Report
      2014 Annual Research Report
  • [Presentation] Material dependence of sound velocity and minimum phonon thermal conductivity from first-principles2014

    • Author(s)
      Yukari Katsura, Hidenori Takagi
    • Organizer
      The 33rd International Conference of Thermoelectrics (ICT2014)
    • Place of Presentation
      Nashville, TN, USA
    • Year and Date
      2014-07-06 – 2014-07-10
    • Related Report
      2014 Annual Research Report
  • [Presentation] 第一原理計算を用いた熱電特性のキャリア濃度依存性の解析2014

    • Author(s)
      桂ゆかり, 高木英典
    • Organizer
      第61回応用物理学会春季学術講演会
    • Place of Presentation
      青山学院大学
    • Related Report
      2013 Research-status Report
  • [Presentation] Towards discovery of new thermoelectric materials: a calculation-aided search2013

    • Author(s)
      Yukari Katsura, Yuta Tashiro, Masahiro Nakamura, Tomohiro Takayama, Yoshinobu Nakamura, Koji Taniguchi, Hidenori Takagi
    • Organizer
      The 32nd International Conference of Thermoelectrics (ICT2013)
    • Place of Presentation
      Kobe International Convention Center, Japan
    • Related Report
      2013 Research-status Report
  • [Presentation] MgSrSi-type semiconductors as possible new family of thermoelectric materials2012

    • Author(s)
      Yukari Katsura, Hidenori Takagi
    • Organizer
      International Conference of Thermoelectrics (ICT2012)
    • Place of Presentation
      Aalborg, Denmark
    • Related Report
      2012 Research-status Report
  • [Presentation] 新規熱電変換材料としてのMgSrSi型化合物の可能性2012

    • Author(s)
      桂ゆかり, 髙木英典
    • Organizer
      第九回日本熱電学会学術講演会
    • Place of Presentation
      東京工業大学(東京)
    • Related Report
      2012 Research-status Report
  • [Presentation] Possibility of Tin Sulfides as New Class of Thermoelectric Materials2012

    • Author(s)
      Yukari Katsura, Hidenori Takagi
    • Organizer
      International Union of Materials Research Societies - International Conference of Electronic Materials 2012 (IUMRS-ICEM2012)
    • Place of Presentation
      パシフィコ横浜(神奈川)
    • Related Report
      2012 Research-status Report
  • [Presentation] スズ硫化物における新規熱電変換材料探索2012

    • Author(s)
      桂ゆかり, 高木英典
    • Organizer
      第59回応用物理学関係連合講演会
    • Place of Presentation
      早稲田大学(東京都)
    • Related Report
      2011 Research-status Report
  • [Presentation] Search for novel thermoelectric materials in MgSrSi-type compounds2012

    • Author(s)
      Yukari Katsura
    • Organizer
      UK-Japan Meeting 2012 in Tokyo "Novel Quantum Matter in Correlated Oxides" "Functional Oxide Materials Discovery Using Extreme Conditions"
    • Place of Presentation
      東京大学(東京都)
    • Related Report
      2011 Research-status Report
  • [Presentation] MgSrSi型構造化合物における新規熱電変換材料探索2011

    • Author(s)
      桂ゆかり, 高木英典
    • Organizer
      2011年日本物理学会秋季大会
    • Place of Presentation
      富山大学(富山県)
    • Related Report
      2011 Research-status Report
  • [Presentation] バンド計算で比較する熱電変換材料~新規材料探索への応用

    • Author(s)
      桂 ゆかり
    • Organizer
      日本金属学会研究分科会 第5回熱電変換材料研究会.「熱電変換材料の性能向上には今何が必要なのか?」
    • Place of Presentation
      東京工業大学
    • Related Report
      2013 Research-status Report
    • Invited
  • [Remarks] yukarisearch

    • URL

      https://sites.google.com/site/yukarisearch/home

    • Related Report
      2012 Research-status Report

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Published: 2011-08-05   Modified: 2019-07-29  

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