Creation and comprehensive exploration of high performance thermoelectric semiconductor utilizing natural quantum structure of layered transition metal compound
Project/Area Number |
19H02425
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Research Category |
Grant-in-Aid for Scientific Research (B)
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Allocation Type | Single-year Grants |
Section | 一般 |
Review Section |
Basic Section 26020:Inorganic materials and properties-related
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Research Institution | Tokyo Institute of Technology |
Principal Investigator |
Katase Takayoshi 東京工業大学, 科学技術創成研究院, 准教授 (90648388)
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Project Period (FY) |
2019-04-01 – 2022-03-31
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Project Status |
Completed (Fiscal Year 2021)
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Budget Amount *help |
¥18,330,000 (Direct Cost: ¥14,100,000、Indirect Cost: ¥4,230,000)
Fiscal Year 2021: ¥1,560,000 (Direct Cost: ¥1,200,000、Indirect Cost: ¥360,000)
Fiscal Year 2020: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000)
Fiscal Year 2019: ¥15,600,000 (Direct Cost: ¥12,000,000、Indirect Cost: ¥3,600,000)
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Keywords | 熱電変換材料 / 層状半導体 / 量子構造 / 材料設計 / 低環境負荷 |
Outline of Research at the Start |
無毒で豊富な元素で構成される高性能熱電半導体の実現を目指して、層状遷移金属化合物のバルク二次元電子ガス(2DEG)を利用して巨大熱電能(S)を引き出す、その材料設計指針を確立することを目的とする。高Sを得るために2DEGの大きな状態密度を利用することが提案されているが、2DEGと優れた熱電性能は薄膜界面でしか観測されず、発電量が必要とされる熱電材料としては使えない。本研究では、2DEG構造と絶縁層を交互に積層した構造を持つ層状結晶(=バルク2DEG)を提案し、バルク2DEGに起因した巨大Sの実現を目指す。さらに同様の電子構造を持ち得る層状遷移金属化合物の第一原理計算による網羅的探索まで行う。
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Outline of Final Research Achievements |
Design, synthesis, and electronic property characterization of high purity layered transition metal nitride semiconductors, AETMN2 (AE=Ca,Sr,Ba and TM=Ti,Zr,Hf) were performed to search new high performance thermoelectric materials with two dimensional electron gas (2DEG) structure. Density functional theory defect calculations clarified that nitrogen vacancy and oxygen impurity substitution, as shallow donor, are easily formed in SrTiN2, while the defect formation is largely suppressed by Ca substitution at Sr site and Zr,Hf substitution at Ti site. The electronic, optical, and magnetic properties were clarified by using high phase purity (>94 mol%) AETMN2 bulks synthesized by a solid-state reaction between AENH and TMN precursors with NaN3. The easiness of impurity incorporation is designed to produce a more intrinsic semiconductor in wider chemical conditions, opening a way to cultivating novel functional materials that are sensitive to atmospheric impurities and defects.
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Academic Significance and Societal Importance of the Research Achievements |
第一原理計算による電子構造・欠陥計算と化学結合解析を併用して合成プロセスを設計し、大気中で不安定な物質でも不純物や欠陥の生成を抑制して新しい半導体材料を実現する材料探索手法になると期待される。本提案を発展させ、関連層状化合物の探索と電子構造・半導体物性評価を更に進めていくことにより、優れた環境調和型熱電材料の実現に繋がると考える。
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Report
(4 results)
Research Products
(135 results)
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[Journal Article] Design, Synthesis, and Optoelectronic Properties of the High-Purity Phase in Layered AETMN2 (AE = Sr, Ba; TM = Ti, Zr, Hf) Semiconductors2022
Author(s)
Akihiro Shiraishi, Shigeru Kimura, Xinyi He, Naoto Watanabe, Takayoshi Katase, Keisuke Ide, Makoto Minohara, Kosuke Matsuzaki, Hidenori Hiramatsu, Hiroshi Kumigashira, Hideo Hosono, and Toshio Kamiya
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Journal Title
Inorg. Chem.
Volume: 61
Issue: 17
Pages: 6650-6659
DOI
Related Report
Peer Reviewed
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[Journal Article] Electronic and Lattice Thermal Conductivity Switching by 3D-2D Crystal Structure Transition in Nonequilibrium (Pb1-xSnx)Se2022
Author(s)
Y. Nishimura, Xinyi He, Takayoshi Katase, Terumasa Tadano, Keisuke Ide, Suguru Kitani, Kota Hanzawa, Shigenori Ueda, Hidenori Hiramatsu, Hitoshi Kawaji, Hideo Hosono, and Toshio Kamiya
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Journal Title
Adv. Electron. Mater.
Volume: 0
Issue: 9
Pages: 2200024-2200024
DOI
Related Report
Peer Reviewed / Open Access
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[Journal Article] Large phonon drag thermopower boosted by massive electrons and phonon leaking in LaAlO3/LaNiO3/LaAlO3 heterostructure2021
Author(s)
Masatoshi Kimura, Xinyi He, Takayoshi Katase, Terumasa Tadano, Jan M. Tomczak, Makoto Minohara, Ryotaro Aso, Hideto Yoshida, Keisuke Ide, Shigenori Ueda, Hidenori Hiramatsu, Hiroshi Kumigashira, Hideo Hosono, and Toshio Kamiya
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Journal Title
Nano Lett.
Volume: 21
Issue: 21
Pages: 9240-9246
DOI
Related Report
Peer Reviewed / Open Access / Int'l Joint Research
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[Journal Article] Breaking of thermopower - conductivity trade-off in LaTiO3 film around Mott insulator to metal transition2021
Author(s)
Takayoshi Katase, Xinyi He, Terumasa Tadano, Jan M. Tomczak, Takaki Onozato, Keisuke Ide, Bin Feng, Tetsuya Tohei, Hidenori Hiramatsu, Hiromichi Ohta, Yuichi Ikuhara, Hideo Hosono, and Toshio Kamiya
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Journal Title
Adv. Sci.
Volume: 8
Issue: 23
Pages: 202102097-202102097
DOI
Related Report
Peer Reviewed / Open Access / Int'l Joint Research
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[Journal Article] Reversible 3D-2D structural phase transition and giant electronic modulation in non-equilibrium alloy semiconductor, lead-tin-selenide2021
Author(s)
Takayoshi Katase, Yudai Takahashi, Xinyi He, Terumasa Tadano, Keisuke Ide, Hideto Yoshida, Shiro Kawachi, Junichi Yamaura, Masato Sasase, Hidenori Hiramatsu, Hideo Hosono, and Toshio Kamiya
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Journal Title
Science Adv.
Volume: 7
Issue: 12
DOI
Related Report
Peer Reviewed / Open Access
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[Journal Article] Double charge polarity switching in Sb-doped SnSe with switchable substitution sites2020
Author(s)
Chihiro Yamamoto, Xinyi He, Takayoshi Katase, Keisuke Ide, Yosuke Goto, Yoshikazu Mizuguchi, Akane Samizo, Makoto Minohara, Shigenori Ueda, Hidenori Hiramatsu, Hideo Hosono, and Toshio Kamiya
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Journal Title
Adv. Funct. Mater.
Volume: 31
Issue: 8
Pages: 2008092-2008092
DOI
Related Report
Peer Reviewed
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[Presentation] 3D-2D structural phase transition and giant electronic conductivity modulation in non-equilibrium hetero-structural alloy, (Pb1-xSnx)Se2021
Author(s)
Takayoshi Katase, Xinyi He, Terumasa Tadano, Keisuke Ide, Hideto Yoshida, Shiro Kawachi, Junichi Yamaura, Masato Sasase, Hidenori Hiramatsu, Hideo Hosono, Toshio Kamiya
Organizer
The Twelfth International Conference on the Science and Technology for Advanced Ceramics (STAC12)
Related Report
Int'l Joint Research
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[Presentation] Two-dimensional layered semiconductors AETMN2 (AE = Sr, Ba; TM = Ti, Zr, Hf); high-purity bulk synthesis and electronic property characterization2021
Author(s)
Shigeru Kimura, Akihiro Shiraishi, Xinyi He, Takayoshi Katase, Keisuke Ide, Hidenori Hiramatsu, Hideo Hosono, Toshio Kamiya
Organizer
2021 Materials Research Society Fall Meeting & Exhibit
Related Report
Int'l Joint Research
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[Presentation] Appearance and large enhancement of phonon drag thermopower by epitaxial strain and phonon leaking from LaAlO3 in LaNiO32021
Author(s)
Masatoshi Kimura, Xinyi He, Takayoshi Katase, Terumasa Tadano, Jan M. Tomczak, Makoto Minohara, Ryotaro Aso, Hideto Yoshida, Keisuke Ide, Shigenori Ueda, Hidenori Hiramatsu, Hiroshi Kumigashira, Hideo Hosono, Toshio Kamiya
Organizer
Materials Research Meeting 2021
Related Report
Int'l Joint Research
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[Presentation] Electronic structures and electronic properties of 2-dimensional layered semiconductors, AETMN2 (AE = Sr, Ba; TM = Ti, Zr, Hf)2021
Author(s)
Shigeru Kimura, Akihiro Shiraishi, Xinyi He, Takayoshi Katase, Keisuke Ide, Hidenori Hiramatsu, Hideo Hosono, and Toshio Kamiya
Organizer
The Twelfth International Conference on the Science and Technology for Advanced Ceramics (STAC12)
Related Report
Int'l Joint Research
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[Presentation] Synthesis and opto-electronic properties of layered oxychalcogenides, AE2CuInO3Ch (AE = Ca, Sr, Ba, and Ch = S, Se, Te)2019
Author(s)
Tatsuya Cho, Daisuke Mori, Xiyi He, Keisuke Ide, Takayoshi Katase, Hidenori Hiramatsu, Hideo Hosono, and Toshio Kamiya
Organizer
11th International Symposium on Transparent Oxide Thin Films for Electronics and Optics (TOEO-11)
Related Report
Int'l Joint Research
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[Presentation] Thermoelectric property of MxSr1-xSi2 (M = Ca, Ba) film prepared by co-sputtering method2019
Author(s)
Kodai Aoyama, Takao Shimizu, Hideto Kuramochi, Masami Mesuda, Ryo Akiike, Keisuke Ide, Takayoshi Katase, Toshio Kamiya, Yoshisato Kimura, and Hiroshi Funakubo
Organizer
The Fifth Asia-Pacific Conference on Semiconducting Silicates and Related Materials
Related Report
Int'l Joint Research
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[Presentation] Stoichiometric and Oxygen-Deficient VO2 as Versatile Electrode for Organic Semiconductors2019
Author(s)
Rongbin Wang, Takayoshi Katase, Ke-Ke Fu, Tianshu Zhai, Jiacheng Yang, Qiankun Wang, Hiromichi Ohta, Steffen Duhm, and Norbert Koch
Organizer
The 14th International symposium on Functional pi-electron systems (Berlin, Germany, 2019/6/2-7)
Related Report
Int'l Joint Research
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[Presentation] Effect of hydrogen plasma treatment for ultra-wide bandgap amorphous oxide semiconductor, amorphous Ga-O2019
Author(s)
Keisuke Ide, Yurika Kasai, Kosuke Takenaka, Yuichi Setsuhara, Atsushi Hiraiwa, Hiroshi Kawarada, Takayoshi Katase, Hidenori Hiramatsu, Hideo Hosono, and Toshio Kamiya
Organizer
The 4th International Symposium on Creation of Life Innovation Materials for Interdisciplinary and International Researcher Development (iLIM-4)
Related Report
Int'l Joint Research
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[Presentation] Light emitting diodes on glass using amorphous oxide semiconductor thin-film phosphors, rare-earth doped a-Ga-O2019
Author(s)
Naoto Watanabe, Keisuke Ide, Takayoshi Katase, Junghwan Kim, Shigenori Ueda, Koji Horiba, Hiroshi Kumigashira, Hidenori Hiramatsu, Hideo Hosono, Toshio Kamiya
Organizer
Materials Research Meeting 2019
Related Report
Int'l Joint Research
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