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Design of topological thermoelectric materials with nanoscale magnetic order

Publicly Offered Research

Project AreaDiscrete Geometric Analysis for Materials Design
Project/Area Number 18H04481
Research Category

Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)

Allocation TypeSingle-year Grants
Research InstitutionKanazawa University

Principal Investigator

石井 史之  金沢大学, ナノマテリアル研究所, 准教授 (20432122)

Project Period (FY) 2018-04-01 – 2020-03-31
Project Status Completed (Fiscal Year 2019)
Budget Amount *help
¥7,800,000 (Direct Cost: ¥6,000,000、Indirect Cost: ¥1,800,000)
Fiscal Year 2019: ¥3,900,000 (Direct Cost: ¥3,000,000、Indirect Cost: ¥900,000)
Fiscal Year 2018: ¥3,900,000 (Direct Cost: ¥3,000,000、Indirect Cost: ¥900,000)
Keywords熱電効果 / トポロジカル材料 / 波動関数 / トポロジー / 異常ネルンスト効果 / 強磁性体 / 熱電変換 / 磁性 / 第一原理電子状態計算 / スキルミオン / トポロジカル不変量 / 磁気構造 / スカーミオン / 異常ホール効果
Outline of Annual Research Achievements

効率的なエネルギー利用を目指し、電子スピンと波動関数のトポロジーが重要となる熱電変換現象の一つである異常ネルンスト効果の研究に取り組んだ。密度汎関数法に基づく第一原理計算手法を用いて、Fe化合物や二次元物質について多く調べた。主な研究実績は、次の3点にまとめられる。
(1)強磁性状態のFeCl2の単層について、異常ネルンスト効果を調べ、6muV/K程度の大きな異常ネルンスト係数が得られる可能性あること、その起源がブリルアンゾーンのK点近傍の大きなベリー曲率であることを明らかにした。この成果を論文論文 R. Syariati, S. Minami, H. Sawahata and F. Ishii, APL Materials 8, 041105/1-6 (2020)として出版した。
(2)実験グループと共同で、鉄にアルミやガリウムを添加した材料が鉄単体より20倍大きな異常ネルンスト効果を示すこと、その起源が、ノーダルウェブと呼ばれるトポロジカルなバンド構造に由来していることを明らかにした。この成果はA. Sakai, S. Minami, T. Koretsune, T. Chen, T. Higo, Y. Wang, T. Nomoto, M. Hirayama, S. Miwa, D. Nishio-Hamane, F. Ishii, R. Arita and S. Nakatsuji, Nature 581, 53-57 (2020) として出版し、複数の新聞等で報道された(2020 年4月28日付 北國新聞, 2020年4月30日付 日刊産業新聞、等)。(3) 実験グループと共同で、運動量空間での非自明なスピン構造が銅に色素を塗るだけで生じ、スピン変換機能を付加することを明らかにした。この成果は H. Isshiki, K. Kondou, S. Takizawa, K. Shimose, T. Kawabe, E. Minamitani, N. Yamaguchi, F. Ishii, A. Shiotari, Y. Sugimoto, S. Miwa and Y. Otani, Nano Lett. 19, 7119(2019)として、出版した。

Research Progress Status

令和元年度が最終年度であるため、記入しない。

Strategy for Future Research Activity

令和元年度が最終年度であるため、記入しない。

Report

(2 results)
  • 2019 Annual Research Report
  • 2018 Annual Research Report

Research Products

(30 results)

All 2020 2019 2018 Other

All Int'l Joint Research (1 results) Journal Article (10 results) (of which Int'l Joint Research: 2 results,  Peer Reviewed: 10 results,  Open Access: 2 results) Presentation (19 results) (of which Int'l Joint Research: 11 results,  Invited: 1 results)

  • [Int'l Joint Research] Gadjah Mada University(インドネシア)

    • Related Report
      2019 Annual Research Report
  • [Journal Article] Iron-based binary ferromagnets for transverse thermoelectric conversion2020

    • Author(s)
      Sakai Akito、Minami Susumu、Koretsune Takashi、Chen Taishi、Higo Tomoya、Wang Yangming、Nomoto Takuya、Hirayama Motoaki、Miwa Shinji、Nishio-Hamane Daisuke、Ishii Fumiyuki、Arita Ryotaro、Nakatsuji Satoru
    • Journal Title

      Nature

      Volume: 581 Pages: 53-57

    • DOI

      10.1038/s41586-020-2230-z

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] First-principles study of anomalous Nernst effect in half-metallic iron dichloride monolayer2020

    • Author(s)
      Syariati Rifky、Minami Susumu、Sawahata Hikaru、Ishii Fumiyuki
    • Journal Title

      APL Materials

      Volume: 8 Pages: 041105-041105

    • DOI

      10.1063/1.5143474

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Spin splitting with persistent spin textures induced by the line defect in the 1T phase of monolayer transition metal dichalcogenides2020

    • Author(s)
      Absor Moh. Adhib Ulil、Santoso Iman、Yamaguchi Naoya、Ishii Fumiyuki
    • Journal Title

      Physical Review B

      Volume: 101 Pages: 155410-155410

    • DOI

      10.1103/physrevb.101.155410

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Realization of Spin-dependent Functionality by Covering a Metal Surface with a Single Layer of Molecules2019

    • Author(s)
      H. IsshikH. Isshiki , K. Kondou, S. Takizawa, K. Shimose, T. Kawabe, E. Minamitani, N. Yamaguchi, F. Ishii, A. Shiotari, Y. Sugimoto, S. Miwa, and Y. Otani
    • Journal Title

      Nano Letters

      Volume: 10 Pages: 7119-7123

    • DOI

      10.1021/acs.nanolett.9b02619

    • NAID

      130008153989

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed
  • [Journal Article] First-principles Study of Spiral Spin Density Waves in Monolayer MnCl2 Using Generalized Bloch Theorem2019

    • Author(s)
      Prayitno Teguh Budi、Ishii Fumiyuki
    • Journal Title

      J. Phys. Soc. Jpn.

      Volume: 88 Issue: 10 Pages: 104705-104705

    • DOI

      10.7566/jpsj.88.104705

    • NAID

      40022034157

    • ISSN
      0031-9015, 1347-4073
    • Related Report
      2019 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Intrinsic persistent spin helix state in two-dimensional group-IV monochalcogenide MX monolayers (M=Sn or Ge and X=S, Se, or Te)2019

    • Author(s)
      Absor Moh. Adhib Ulil、Ishii Fumiyuki
    • Journal Title

      Physical Review B

      Volume: 100 Pages: 115104-115104

    • DOI

      10.1103/physrevb.100.115104

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Electric-field-induced Z 2 topological phase transition in strained single bilayer Bi(111)2019

    • Author(s)
      Sawahata Hikaru、Yamaguchi Naoya、Ishii Fumiyuki
    • Journal Title

      Appl. Phys. Express

      Volume: 12 Issue: 7 Pages: 075009-075009

    • DOI

      10.7567/1882-0786/ab25d3

    • NAID

      210000156449

    • ISSN
      1882-0778, 1882-0786
    • Related Report
      2019 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Implementation of Generalized Bloch Theorem Using Linear Combination of Pseudo-Atomic Orbitals2018

    • Author(s)
      Prayitno Teguh Budi、Ishii Fumiyuki
    • Journal Title

      J. Phys. Soc. Jpn.

      Volume: 87 Issue: 11 Pages: 114709-114709

    • DOI

      10.7566/jpsj.87.114709

    • NAID

      210000135018

    • ISSN
      0031-9015, 1347-4073
    • Related Report
      2018 Annual Research Report
    • Peer Reviewed
  • [Journal Article] First-principles study on thermoelectric properties of half-Heusler compounds CoMSb (M?=?Sc, Ti, V, Cr, and Mn)2018

    • Author(s)
      Minami Susumu、Ishii Fumiyuki、Mizuta Yo Pierre、Saito Mineo
    • Journal Title

      Applied Physics Letters

      Volume: 113

    • DOI

      10.1063/1.5029907

    • NAID

      120006627115

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Electric Field Dependence of Topological Edge States in One-Bilayer Bi(111): A First-Principles Study2018

    • Author(s)
      Sawahata Hikaru、Yamaguchi Naoya、Kotaka Hiroki、Ishii Fumiyuki
    • Journal Title

      e-J. Surf. Sci. Nanotech

      Volume: 16 Issue: 0 Pages: 427-430

    • DOI

      10.1380/ejssnt.2018.427

    • NAID

      130007521263

    • ISSN
      1348-0391
    • Related Report
      2018 Annual Research Report
    • Peer Reviewed / Open Access
  • [Presentation] First-principles Study of Anomalous Nernst Effect in The 2D Ferromagnetic Half-metal 1T-FeX2 (X = Br, Cl)2019

    • Author(s)
      Rifky Syariati, Susumu Minami, Hikaru Sawahata and Fumiyuki Ishii
    • Organizer
      The 22nd Asian Workshop on First-Principles Electronic Structure Calculations
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Implementation of computing anomalous Hall conductivity for high throughput screening of magnetic thermoelectric materials2019

    • Author(s)
      Hikaru Sawahata, Naoya Yamaguchi, Susumu Minami and Fumiyuki Ishii
    • Organizer
      The 22nd Asian Workshop on First-Principles Electronic Structure Calculations
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] First-Principles Study of the Surface Alloys M/Ag (111)- 3× 3 R 30°2019

    • Author(s)
      Monika Nur, Naoya Yamaguchi and Fumiyuki Ishii
    • Organizer
      The 22nd Asian Workshop on First-Principles Electronic Structure Calculations
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] First-principles Fully Relativistic Calculations of Insulators Under Finite Electric Fields by Using the LCAO Method2019

    • Author(s)
      Naoya Yamaguchi and Fumiyuki Ishii
    • Organizer
      The 22nd Asian Workshop on First-Principles Electronic Structure Calculations
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 電場印加下におけるバルクの第一原理計算と磁性系への応用2019

    • Author(s)
      山口直也、石井史之
    • Organizer
      日本物理学会第74回年次大会
    • Related Report
      2018 Annual Research Report
  • [Presentation] 電場印加下の誘電体バルクにおけるスピン軌道分裂の第一原理計算2018

    • Author(s)
      山口直也、石井史之
    • Organizer
      日本物理学会2018年秋季大会
    • Related Report
      2018 Annual Research Report
  • [Presentation] First-principles study of electric-field induced Z_2_ topological phase transition in strained one-bilayer Bi(111)2018

    • Author(s)
      Hikaru Sawahata, Naoya Yamaguchi and Fumiyuki Ishii
    • Organizer
      The 21st Asian Workshop on First-principles Electronic Structure Calculation
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Bi薄膜のトポロジカル絶縁体相における歪みと電界効果の第一原理計算2018

    • Author(s)
      澤端日華瑠, 山口直也, 石井史之
    • Organizer
      日本物理学会2018年秋季大会
    • Related Report
      2018 Annual Research Report
  • [Presentation] Z2不変量の第一原理計算コードの開発と2原子層Bi(111)への応用2018

    • Author(s)
      澤端日華瑠, 山口直也, 石井史之
    • Organizer
      物性研究所スパコン共同利用・CCMS合同研究会「計算物質科学の今と未来」
    • Related Report
      2018 Annual Research Report
  • [Presentation] 磁性ハーフホイスラー 合金の熱伝導率の第一原理計算2018

    • Author(s)
      堀彰紘, 田中悠斗, 見波将, 石井史之, 斎藤峯雄
    • Organizer
      日本物理学会2018年秋季大会
    • Related Report
      2018 Annual Research Report
  • [Presentation] First-principles study on anomalous Nernst effect in Fe3Al and related compounds2018

    • Author(s)
      Susumu Minami, Fumiyuki Ishii, Mineo Saito
    • Organizer
      The 21st Asian Workshop on First-principles Electronic Structure Calculation
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research
  • [Presentation] First-principles calculations on anomalous thermoelectric effect of ferromagnetic Hustler alloys2018

    • Author(s)
      Susumu Minami, Fumiyuki Ishii, Mineo Saito
    • Organizer
      The International Summer Workshop 2018 on First-Principles Electronic Structure Calculations in ISSP
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 強磁性ホイスラー合金における熱電効果の第一原理計算2018

    • Author(s)
      見波将, 石井史之, 斎藤峯雄
    • Organizer
      日本物理学会2018年秋季大会
    • Related Report
      2018 Annual Research Report
  • [Presentation] 強磁性ハーフホイスラー化合物CoMnSbにおける熱電特性の第一原理計算2018

    • Author(s)
      見波将, 石井史之, 水田耀ピエール, 斎藤峯雄
    • Organizer
      H30年度ポスト「京」重点課題(7)第3回CDMSI研究会
    • Related Report
      2018 Annual Research Report
  • [Presentation] ハーフホイスラー型化合物CoMSb (M=Sc,Ti,V,Cr,Mn)における異常ネルンスト効果の第一原理計算2018

    • Author(s)
      見波将, 石井史之, 水田耀ピエール, 斎藤峯雄
    • Organizer
      物性研究所スパコン共同利用・CCMS合同研究会
    • Related Report
      2018 Annual Research Report
  • [Presentation] First-principles study of Berry-phase-mediated thermoelectric effects2018

    • Author(s)
      Fumiyuki Ishii
    • Organizer
      The 21st Asian Workshop on First-principles Electronic Structure Calculation
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Berry-phase-mediated Thermoelectric Effects in Magnetic Materials2018

    • Author(s)
      Fumiyuki Ishii, Susumu Minami, Yo Pierre Mizuta, Hikaru Sawahata, Akihiro Hori, Yuto Tanaka and Mineo Saito
    • Organizer
      19th International Workshop on Computational Physics and Material Science: Total Energy and Force Methods
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Large anomalous Nernst effect in narrow-gap Chern insulator2018

    • Author(s)
      Yo Pierre Mizuta,Hikaru Sawahata, and Fumiyuki Ishii
    • Organizer
      International Workshop on Computational Design and Discovery of Novel Materials
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research
  • [Presentation] First-principles study of anomalous thermoelectric effects2018

    • Author(s)
      Fumiyuki Ishii
    • Organizer
      8th Time-Dependent Density-Functional Theory: Prospects and Applications
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research

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Published: 2018-04-23   Modified: 2021-01-27  

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