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Research of High Performance Thermoelectric Materials with Nano-size Cages by focusing Random Host Structure of Quaternary Sn-based Clathrate Semiconductors

Research Project

Project/Area Number 23560838
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeMulti-year Fund
Section一般
Research Field Structural/Functional materials
Research InstitutionYamaguchi University

Principal Investigator

AKAI KOJI  山口大学, 大学情報機構, 准教授 (20314825)

Co-Investigator(Kenkyū-buntansha) KISHIMOTO Kengo  山口大学, 理工学研究科, 助教 (50234216)
Project Period (FY) 2011 – 2013
Project Status Completed (Fiscal Year 2013)
Budget Amount *help
¥5,200,000 (Direct Cost: ¥4,000,000、Indirect Cost: ¥1,200,000)
Fiscal Year 2013: ¥1,560,000 (Direct Cost: ¥1,200,000、Indirect Cost: ¥360,000)
Fiscal Year 2012: ¥1,690,000 (Direct Cost: ¥1,300,000、Indirect Cost: ¥390,000)
Fiscal Year 2011: ¥1,950,000 (Direct Cost: ¥1,500,000、Indirect Cost: ¥450,000)
Keywords熱・エネルギー材料 / 熱電クラスレート半導体 / 熱電材料 / クラスレート半導体 / ランダムポテンシャル
Research Abstract

We studied improve of a thermoelectric performance for Ba-Ga-Sn clathrate semiconductors with nano-size caged structure. The Sn-based clathrates have high abilities as high performance thermoelectric materials, in spits of a random structure of Ga and Sn in the host lattice. Therefore it is expected that transport properties are robust for additional element doping in Ba-Ga-Sn. In this study we tried to enhance the mobility of carrier by atomic doping to host sites or guest sites. In theoretical approaches we calculated the electronic structure by an ab-initio method and calculated the thermoelectric properties by using calculated band structure. In the calculation of the thermoelectric properties the semi-classical theory was used by the Boltzmann equation. In the experimental researches, new materials were synthesized, and a thermoelectric power, an electrical conductivity, and a thermal conductivity were measured.

Report

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

    (30 results)

All 2014 2013 2012 Other

All Journal Article (4 results) (of which Peer Reviewed: 4 results) Presentation (26 results)

  • [Journal Article] First-Principles Study of Electronic Structure and Thermoelectric Properties of Ge-Doped Tin Clathrates2014

    • Author(s)
      K. Akai,K. Kishimoto,T. Koyanagi,Y. Kono,S. Yamamoto
    • Journal Title

      J. Electr. Mater

      Volume: 43

    • Related Report
      2013 Final Research Report
    • Peer Reviewed
  • [Journal Article] First-Principles Study of Electronic Structure and Thermoelectric Properties of Ge-Doped Tin Clathrates2014

    • Author(s)
      K. Akai, K. Kishimoto, T. Koyanagi, Y. Kono, S. Yamamoto
    • Journal Title

      J. Electr. Mater.

      Volume: 43 Pages: 2081-2085

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Effect of Ge substitution on carrier mobilities and thermelectric properties of sintered p-type BaSGe16+xSn30-x-yGey with the type-VIII clathrate structure2012

    • Author(s)
      K. Kishimoto,H. Yamamoto,K. Akai,T. Koyanagi
    • Journal Title

      J. Phys. D:Appl. Phys

      Volume: 45

    • Related Report
      2013 Final Research Report
    • Peer Reviewed
  • [Journal Article] Effect of Ge substitution on carrier mobilities and thermoelectric properties of sintered p-type Ba8Ga16+xSn30-x-yGey with the type-VIII clathrate structure2012

    • Author(s)
      K. Kishimoto
    • Journal Title

      Journal of Physics D: Applied Physics

      Volume: 45 Issue: 44 Pages: 445306-445306

    • DOI

      10.1088/0022-3727/45/44/445306

    • Related Report
      2012 Research-status Report
    • Peer Reviewed
  • [Presentation] 「イオンモデルによるSnクラスレート半導体BaSGa16Sn30におけるGa分布ゆらぎの解析」2014

    • Author(s)
      松本浩一,赤井光治,岸本堅j,栗巣普輝,小柳j,山本節夫
    • Organizer
      第61回応用物理学会春季学術講演会講演予稿集
    • Place of Presentation
      青山学院大学(相模原)
    • Year and Date
      2014-03-19
    • Related Report
      2013 Final Research Report
  • [Presentation] Study of Host-atoms Substitution Effects for Electronic Structure and Thermoelectric Properties on Sn-based Clathrates2013

    • Author(s)
      K. Akai,K. Kishimoto,T. Koyanagi,Y. Kono,S. Yamamoto
    • Organizer
      11th Europen Conf. on Thermoelectrics(ECT 2013)
    • Place of Presentation
      ESA/ESTEC,Noordwijk,Netherlands
    • Year and Date
      2013-11-20
    • Related Report
      2013 Final Research Report
  • [Presentation] Study of alloys effects for electronic structure on Sn-base Clathrates2013

    • Author(s)
      K. Akai,K. Kishimoto,Y. Kono,S. Yamamoto and S. Shimamura
    • Organizer
      Program & Abstracts of Sth ACCMS-VO PS-19
    • Place of Presentation
      Tohoku Univ.(Sendai)
    • Year and Date
      2013-11-07
    • Related Report
      2013 Final Research Report
  • [Presentation] 「クラスレート半導体Ba-Ga-Snの電子構造に対するGe置換効果の計算」2013

    • Author(s)
      赤井光治,岸本堅j1,河野欣,小柳j,山本節夫
    • Organizer
      第60回応用物理学会春季学術講演会講演予稿集
    • Place of Presentation
      神奈川工科大学(厚木)
    • Year and Date
      2013-03-29
    • Related Report
      2013 Final Research Report
  • [Presentation] 「熱電クラスレートBa_SM_<16>Ge_<30>(M = Al,Ga,In)のキャリア移動度」2013

    • Author(s)
      岸本堅j,小柳j,赤井光治
    • Organizer
      第60回応用物理学会春季学術講演会講演予稿集
    • Place of Presentation
      神奈川工科大学(厚木)
    • Year and Date
      2013-03-27
    • Related Report
      2013 Final Research Report
  • [Presentation] 「タイプS構造を持つ4元系Snクラスレートにおける電子状態と熱電特性」2013

    • Author(s)
      赤井光治,河野欣,岸本堅j
    • Organizer
      第6S回年次大会日本物理学会講演概要集第4分冊
    • Place of Presentation
      広島大学(東広島)
    • Year and Date
      2013-03-26
    • Related Report
      2013 Final Research Report
  • [Presentation] First-principles study of electronic structure and thermoelectric properties on Ge doped Tin clathrates2013

    • Author(s)
      K. Akai,K. Kishimoto,T. Koyanagi,Y. Kono,S.Yamamoto
    • Organizer
      32th international conference on thermoelectrics
    • Place of Presentation
      Kobe International Conference Center,Kobe,Japan
    • Related Report
      2013 Final Research Report
  • [Presentation] 「Snクラスレートの熱電特性に対する原子置換の効果」2013

    • Author(s)
      赤井光治、岸本堅j、小柳j、河野欣、山本節夫
    • Organizer
      第10回日本熱電学会学術講演会予稿集
    • Place of Presentation
      名古屋大学(名古屋)
    • Related Report
      2013 Final Research Report
  • [Presentation] Snクラスレートの熱電特性に対する原子置換の効果2013

    • Author(s)
      赤井光治、岸本堅剛、小柳剛、河野欣、山本節夫
    • Organizer
      第10回日本熱電学会学術講演会
    • Place of Presentation
      名古屋大学(名古屋市)
    • Related Report
      2013 Annual Research Report
  • [Presentation] First-principles study of electronic structure and thermoelectric properties on Ge doped Tin clathrates2013

    • Author(s)
      K. Akai, K. Kishimoto, T. Koyanagi, Y. Kono, S. Yamamoto
    • Organizer
      32th international conference on thermoelectrics
    • Place of Presentation
      Kobe International Conference Center, Kobe, Japan
    • Related Report
      2013 Annual Research Report
  • [Presentation] クラスレート半導体Ba-Ga-Snの電子構造に対するGe置換効果の計算2013

    • Author(s)
      赤井光治,岸本堅剛,河野欣,小柳剛,山本節夫
    • Organizer
      第60回応用物理学会春季学術講演会
    • Place of Presentation
      神奈川工科大学 (厚木市)
    • Related Report
      2012 Research-status Report
  • [Presentation] 熱電クラスレートBa8M16Ge30 (M = Al, Ga, In)のキャリア移動度2013

    • Author(s)
      岸本堅剛,小柳剛,赤井光冶
    • Organizer
      第60回応用物理学会春季学術講演会
    • Place of Presentation
      神奈川工科大学 (厚木市)
    • Related Report
      2012 Research-status Report
  • [Presentation] 「電子構造計算手法を用いたRb元素添加によるクラスレート半導体Ba-Ga-Snの構造制御の検討」2012

    • Author(s)
      赤井光治,岸本堅j,小柳j,河野欣,山本節夫
    • Organizer
      第59回応用物理学会関連連合講演会講演予稿集
    • Place of Presentation
      早稲田大学(東京)
    • Year and Date
      2012-03-16
    • Related Report
      2013 Final Research Report
  • [Presentation] Study of Electronic strucutre and Thermoelectric Properties on Ba-Ga-Sn Clathrate2012

    • Author(s)
      K. Akai,Y. Kono,K. Kishimoto,S. Yamamoto,S. Shimamura
    • Organizer
      The seventh General Meeting of ACCMS-VO Program and Abstracts
    • Place of Presentation
      Tohoku Univ.,Sendai,Japna
    • Related Report
      2013 Final Research Report
  • [Presentation] 「ダブル置換型クラスレート半導体におけるマイナーキャリアのバンド構造制御による高性能化の検討」2012

    • Author(s)
      赤井光治,河野欣,岸本堅j,小柳j、山本節夫
    • Organizer
      第9回日本熱電学会学術講演会予稿週
    • Place of Presentation
      東京工業大学(東京)
    • Related Report
      2013 Final Research Report
  • [Presentation] 「III-IV族クラスレート半導体におけるIII族原子の分布ゆらぎに関する計算」2012

    • Author(s)
      松本浩一,赤井光治,岸本堅j,栗巣普輝,小柳j,山本節夫
    • Organizer
      第9回日本熱電学会学術講演会予稿集
    • Place of Presentation
      東京工業大学(東京)
    • Related Report
      2013 Final Research Report
  • [Presentation] First-principle study of crystal structure for alkali metal doped Tin clathrate Ba-Ga-Sn2012

    • Author(s)
      K. Akai,K. Kishimoto,T. Koyanagi,Y. Kono,S. Yamamoto
    • Organizer
      31st Int. Conf. on Thermoelectrics Abstract Book
    • Place of Presentation
      Aalborg,Denmark
    • Related Report
      2013 Final Research Report
  • [Presentation] ダブル置換型クラスレート半導体におけるマイナーキャリアのバンド構造制御による高性能化の検討2012

    • Author(s)
      赤井光治,河野欣, 岸本堅剛, 小柳剛、山本節夫
    • Organizer
      第9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] III-IV族クラスレート半導体におけるIII族原子の分布ゆらぎに関する計算2012

    • Author(s)
      松本浩一,赤井光治, 岸本堅剛, 栗巣普輝, 小柳剛, 山本節夫
    • Organizer
      第9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] irst-principle study of crystal structure for alkali metal doped Tin clathrate Ba-Ga-Sn2012

    • Author(s)
      K. Akai, K. Kishimoto, T. Koyanagi, Y. Kono, S. Yamamoto
    • Organizer
      The 31st International and 10th European Conf. on Thermoelectrics
    • Place of Presentation
      Aalborg, Denmark
    • Related Report
      2012 Research-status Report
  • [Presentation] tudy of Electronic strucutre and Thermoelectric Properties on Ba-Ga-Sn Clathrate2012

    • Author(s)
      K. Akai, Y. Kono, K. Kishimoto, S. Yamamoto, S. Shimamura
    • Organizer
      The seventh General Meeting of ACCMS-VO
    • Place of Presentation
      東北大学 (仙台市)
    • Related Report
      2012 Research-status Report
  • [Presentation] タイプ8構造を持つ4元系Snクラスレートにおける電子状態と熱電特性2012

    • Author(s)
      赤井光治,河野欣,岸本堅剛
    • Organizer
      第68回年次大会(日本物理学会)
    • Place of Presentation
      広島大学 (東広島市)
    • Related Report
      2012 Research-status Report
  • [Presentation] 電子構造計算手法を用いたRb元素添加によるクラスレート半導体Ba-Ga-Snの構造制御の検討2012

    • Author(s)
      赤井光治
    • Organizer
      第59回応用物理が回学会関連連合講演会
    • Place of Presentation
      早稲田大学, 東京
    • Related Report
      2011 Research-status Report
  • [Presentation] Study of alloys effects for electronic structure on Sn-base Clathrates

    • Author(s)
      K. Akai, K. Kishimoto, Y. Kono, S. Yamamoto and S. Shimamura
    • Organizer
      8th ACCMS-VO
    • Place of Presentation
      Tohoku Univ., Sendai, Japan
    • Related Report
      2013 Annual Research Report
  • [Presentation] Study of Host-atoms Substitution Effects for Electronic Structure and Thermoelectric Properties on Sn-based Clathrates

    • Author(s)
      K. Akai, K. Kishimoto, T. Koyanagi, Y. Kono, S. Yamamoto
    • Organizer
      11th Europen Conf. on Thermoelectrics
    • Place of Presentation
      ESA/ESTEC, Noordwijk, The Netherlands
    • Related Report
      2013 Annual Research Report
  • [Presentation] イオンモデルによるS n クラスレート半導体Ba8Ga16Sn30におけるGa分布ゆらぎの解析

    • Author(s)
      松本浩一,赤井光治,岸本堅剛,栗巣普輝,小柳剛,山本節夫
    • 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(神奈川県相模原市)
    • Related Report
      2013 Annual Research Report

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

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