Development of high performance thermoelectric materials using information about fine electronic structure and phonon dispersions

2013 Fiscal Year Final Research Report

• Project/Area Number: 23360278
• Research Category: Grant-in-Aid for Scientific Research (B)
• Allocation Type: Single-year Grants
• Section: 一般
• Research Field: Physical properties of metals
• Research Institution: Nagoya University
• Principal Investigator: TAKEUCHI Tsunehiro 名古屋大学, エコトピア科学研究所, その他 (00293655)
• Project Period (FY): 2011-04-01 – 2014-03-31
• Keywords: ゼーベック係数 / フォノン散乱 / 格子熱伝導度 / 熱電材料 / 熱電物性 / 第一原理計算 / 電子構造 / 電気伝導度

Research Abstract

In this study, we constructed a guiding principle for the high-performance thermoelectric materials using detailed information about electronic structure and phonon dispersions, and developed new thermoelectric materials.
As a result of first principles calculations, we found that some of the selected alloys possess a electronic structure suitable for practical thermoelectric materials. Their possession of large of Seebeck coefficient and metallic electrical conduction was confirmed experimentally.
We also found, by using cluster calculation, that some of the heavy elements do not cause any variation in electrical properties but supposed to cause significant reduction in lattice thermal conductivity when they are partially substituted for the constituent elements. This tendency was confirmed experimentally, and the cheap, environmentally friendly thermoelectric materials usable at around 500 K were consequently developed.

Research Products

• [Journal Article] (2014)
  • Author(s): Y. Furuta, K. Kato, T. Miyawaki, H. Asano, T. Takeuchi
  • Journal Title: Journal of Electronic Materials Volume: (Accepted and now in press)
  • Peer Reviewed
• [Journal Article] (2014)
  • Author(s): R. Nakayama, T. Takeuchi
  • Journal Title: Journal of Electronic Materials Volume: (Accepted and now in press)
  • Peer Reviewed
• [Journal Article] Thermoelectric properties of Al-(Mn,X)-Si C54-phase (X = Ru and Re) (2014)
  • Author(s): A. Yamamoto, H. Miyazaki, T. Takeuchi
  • Journal Title: Journal of Applied Physics Volume: 115 Pages: 023708
  • Peer Reviewed
• [Journal Article] (2014)
  • Author(s): 竹内恒博
  • Journal Title: 工業材料 Volume: 62巻 第4号 Pages: 22-25
• [Journal Article] (2013)
  • Author(s): T. Takeuchi, Y. Terazawa, Y. Furuta, A. Yamamoto, M. Mikami
  • Journal Title: Journal of Electronic Materials Volume: 42 Pages: 2084-2090
  • Peer Reviewed
• [Journal Article] (2013)
  • Author(s): M. Mikami, K. Ozaki, H. Takazawa, A. Yamamoto, Y. Terazawa, T. Takeuchi
  • Journal Title: Journal of Electronic Materials Volume: 42 Pages: 1801-1806
  • Peer Reviewed
• [Journal Article] (2013)
  • Author(s): T. Kondo, Y. Nakashima, W. Malaeb, Y. Ishida, Y. Hamaya, T. Takeuchi, S. Shin
  • Journal Title: Physical Review Letters Volume: 110 Pages: 217006(4)
  • Peer Reviewed
• [Journal Article] (2013)
  • Author(s): T. Kondo, A.D. Palczewski, Y. Hamaya, T. Takeuchi, J. S. Wen, Z. J. Xu, G. Gu, A. Kaminski
  • Journal Title: Physical Review Letters Volume: 111 Pages: 157003(5)
  • Peer Reviewed
• [Journal Article] (2013)
  • Author(s): Y. He, Y. Yin, M. Zech, A. Soumyanarayanan, I. Zeljkovic, M. M. Yee, M. C. Boyer, K. Chatterjee, W. D. Wise, T. Kondo, T. Takeuchi, H. Ikuta, P. Mistark, R. S. Markiewicz, A. Bansil, S. Sachdev, E. W. Hudson, J. E. Hoffman
  • Journal Title: Science Volume: (Accepted and now in press)
  • Peer Reviewed
• [Journal Article] (2012)
  • Author(s): Y. Terazawa1, M. Mikami, T. Takeuchi
  • Journal Title: Journal of Electronic Materials Volume: 41 Pages: 1348-1353
  • Peer Reviewed
• [Journal Article] (2012)
  • Author(s): A. Yamamoto, T. Takeuchi
  • Journal Title: Journal of Electronic Materials Volume: 41 Pages: 1743-1748
  • Peer Reviewed
• [Journal Article] (2012)
  • Author(s): T. Takeuchi, H. Goto, R. Nakayama, Y. Terazawa, K. Ogawa, A. Yamamoto, T. Itoh, M. Mikami
  • Journal Title: Journal of Applied Physics Volume: 111 Pages: 093517(7)
  • Peer Reviewed
• [Journal Article] (2012)
  • Author(s): M. Mikami, Y. Kinemuchi, K. Ozaki, Y. Terazawa, T. Takeuchi
  • Journal Title: Journal of Applied Physics Volume: 111 Pages: 093710(6)
• [Journal Article] (2012)
  • Author(s): I. Zeljkovic, E. J. Main, T. L. Williams, M. C. Boyer, K. Chatterjee, W. D. Wise, Yi Yin, Martin Zech, A. Pivonka, T. Kondo, T. Takeuchi, H. Ikuta, J. Wen, Z. Xu, G. D. Gu, E. W. Hudson, J. E. Hoffman
  • Journal Title: Nature Materials Volume: 11 Pages: 585-589
  • Peer Reviewed
• [Journal Article] (2012)
  • Author(s): 寺澤佑一, 三上祐史, 伊藤孝至, 竹内恒博
  • Journal Title: 日本金属学会誌 Volume: 第76巻 第3号 Pages: 216-221
  • Peer Reviewed
• [Journal Article] (2012)
  • Author(s): 竹内恒博
  • Journal Title: 日本熱電学会誌 Volume: 第9巻 第1号 Pages: 27-31
• [Journal Article] (2012)
  • Author(s): 竹内恒博
  • Journal Title: 日本熱電学会誌 Volume: 第9巻 第2号 Pages: 21-26
• [Journal Article] (2011)
  • Author(s): T. Kondo, Y. Hamaya, A. D. Palczewski, T. Takeuchi, J. S. Wen, Z. J. Xu, Genda Gu, Jorg Schmalian, A. Kaminski
  • Journal Title: Nature Physics Volume: 7 Pages: 21-25
  • Peer Reviewed
• [Journal Article] (2011)
  • Author(s): Y. Okada, T. Kawaguchi, M. Ohkawa, K. Ishizaka, T. Takeuchi, S. Shin, H. Ikuta
  • Journal Title: Physical Review B Volume: 83 Pages: 104502(4)
  • Peer Reviewed
• [Journal Article] (2011)
  • Author(s): T. Takeuchi, H. Goto, Y. Toyama, T. Itoh, M. Mikami
  • Journal Title: Journal of Electronic Materials Volume: 40 Pages: 1129-1135
  • Peer Reviewed
• [Journal Article] (2011)
  • Author(s): Y. Toyama, H. Hazama, R. Asahi, T. Takeuchi
  • Journal Title: Journal of Electronic Materials Volume: 40 Pages: 1052-1056
  • Peer Reviewed
• [Journal Article] (2011)
  • Author(s): A. Yamamoto, K. Ogawa, T. Takeuchi
  • Journal Title: Materials Transactions Volume: 52 Pages: 1539-1545
  • Peer Reviewed
• [Journal Article] (2011)
  • Author(s): H. Hazama, M. Matsubara, R. Asahi, T. Takeuchi
  • Journal Title: Journal of Applied Physics Volume: 110 Pages: 063710(6)
  • Peer Reviewed
• [Journal Article] (2011)
  • Author(s): T. Takeuchi, A. Yamamoto, K. Ogawa
  • Journal Title: Materials Research Society Proceedings Volume: Vol.1314
  • DOI: 10.1557/opl.2011.513
  • Peer Reviewed
• [Journal Article] (2011)
  • Author(s): 竹内恒博
  • Journal Title: 日本熱電学会誌 Volume: 第8巻 第2号 Pages: 18-23
• [Journal Article] (2011)
  • Author(s): 竹内恒博
  • Journal Title: 日本熱電学会誌 Volume: 第8巻 第3号 Pages: 27-31
• [Presentation] 狭い擬ギャップと準周期性を利用した熱整流材料の開発 (2014)
  • Author(s): 竹内恒博
  • Organizer: 日本物理学会第69回年次大会
  • Year and Date: 2014-03-29
  • Invited
• [Presentation] 高性能熱電材料における界面の役割 (2014)
  • Author(s): 竹内恒博
  • Organizer: 日本金属学会2014年春期(第154回)講演大会
  • Year and Date: 2014-03-23
• [Presentation] Preparation of Thermal diode using plasma jet splaying technique (2014)
  • Author(s): Tsunehiro Takeuchi, Wataru Takahara, Akira Kobayashi
  • Organizer: The 7th International Workshop on Plasma Application and Hybrid Functionally Materials
  • Year and Date: 2014-03-08
• [Presentation] Thermal rectification in icosahedral quasicrystals (2013)
  • Author(s): Tsunehiro Takeuchi
  • Organizer: The 12th International Conference on Quasicrystals
  • Year and Date: 2013-09-03
  • Invited
• [Presentation] Precise determination of superconducting gap of Bi_2(Sr,R)_2CuO_<6+d>(R = La and Sm) (2013)
  • Author(s): Tsunehiro Takeuchi
  • Organizer: SRC Quantum Lunch Seminar
  • Year and Date: 2013-04-25
  • Invited
• [Presentation] Al-Mn-Si 系環境調和型熱電材料の創成 (2013)
  • Author(s): 竹内恒博, 山本晃生
  • Organizer: 平成25年電気学会全国大会
  • Year and Date: 2013-03-20
  • Invited
• [Presentation] 熱電物性の支配因子とマイクロ・ナノ構造の影響 (2012)
  • Author(s): 竹内恒博
  • Organizer: 第4回日本機械学会マイクロナノ工学シンポジウム
  • Year and Date: 2012-10-23
  • Invited
• [Presentation] Improvement in thermoelectric performance of Fe_2VAl-based Heusler alloys by using electronic structure analysis (2012)
  • Author(s): Tsunehiro Takeuchi, Yuichi Terazawa, Yukihiro Furuta, Akio Yamamoto, Masashi Mikami
  • Organizer: International Union of Materials Research Societies-International Conference on Eelectronic Materials 2012
  • Year and Date: 2012-09-25
• [Presentation] Development of Thermal-Rectifier Using Al-Based Quasicrystals (2012)
  • Author(s): Tsunehiro Takeuchi, Ryu-suke Nakayamac, Masashi Mikamid, Hidetoshi Miyazakie
  • Organizer: APERIODIC 2012
  • Year and Date: 2012-09-06
• [Presentation] 「最先端スペクトロスコピーを用いた熱電変換材料の研究最前線」高性能熱電材料開発における高分解能光電子分光法の利用 (2012)
  • Author(s): 竹内恒博
  • Organizer: 日本熱電学会第15回研究会
  • Year and Date: 2012-08-02
  • Invited
• [Presentation] Improvement in thermoelectric performance of Fe_2VAl-based materials by means of heavy element partial substitutions (2012)
  • Author(s): Tsunehiro Takeuchi, Yuichi Terazawa, Yukihiro Furuta, Akio Yamamoto, Masashi Mikami
  • Organizer: The 31st International & 10th European Conference on Thermoelectrics
  • Year and Date: 2012-07-10
• [Presentation] 熱電材料開発研究における高分解能光電子分光の利用 (2012)
  • Author(s): 竹内恒博
  • Organizer: UVSOR 研究会熱電材料開発研
  • Year and Date: 2012-06-21
  • Invited
• [Presentation] 熱電物性における散乱因子の役割 (2012)
  • Author(s): 竹内恒博
  • Organizer: 日本金属学会第3回熱電変換材料研究会
  • Year and Date: 2012-03-29
• [Presentation] 電子構造とフォノン分散を考慮した熱電材料設計指針の構築 (2012)
  • Organizer: 応用物理学会2012春季講演会
  • Year and Date: 2012-03-15
  • Invited
• [Presentation] 熱電材料の現状・課題と最近の研究 (2012)
  • Author(s): 竹内恒博
  • Organizer: 金属学会鉄鋼協会東海支部学術講演会
  • Year and Date: 2012-02-23
  • Invited
• [Presentation] Heavy Element Substitution on Electronic Structure and Lattice Thermal Conductivity of Fe2VAl-based Alloys (2011)
  • Author(s): Tsunehiro Takeuchi
  • Organizer: JSPS Japan France Joint Seminar Effects
  • Year and Date: 2011-11-09
• [Book] CRC handbook "Thermoelectrics and its Energy Harvesting, Vol.1 Materials, Preparation, and Characterization in Thermoelectrics" Section 1-7 (2012)
  • Author(s): T. Takeuchi, 他
  • Publisher: CRC Press
• [Book] 熱電変換技術の基礎と応用第2章 第5節 (2011)
  • Author(s): 竹内恒博, 他
  • Publisher: 株式会社 シーエムシー出版