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Theoretical design of magnetic topological material by high-throughput magnetism/band engineering

Research Project

Project/Area Number 21H01789
Research Category

Grant-in-Aid for Scientific Research (B)

Allocation TypeSingle-year Grants
Section一般
Review Section Basic Section 29010:Applied physical properties-related
Research InstitutionTohoku University

Principal Investigator

Michi-To Suzuki  東北大学, 金属材料研究所, 准教授 (10596547)

Co-Investigator(Kenkyū-buntansha) 渡辺 悠樹  東京大学, 大学院工学系研究科(工学部), 准教授 (20785323)
Project Period (FY) 2021-04-01 – 2024-03-31
Project Status Completed (Fiscal Year 2023)
Budget Amount *help
¥17,290,000 (Direct Cost: ¥13,300,000、Indirect Cost: ¥3,990,000)
Fiscal Year 2023: ¥4,160,000 (Direct Cost: ¥3,200,000、Indirect Cost: ¥960,000)
Fiscal Year 2022: ¥5,330,000 (Direct Cost: ¥4,100,000、Indirect Cost: ¥1,230,000)
Fiscal Year 2021: ¥7,800,000 (Direct Cost: ¥6,000,000、Indirect Cost: ¥1,800,000)
Keywords反強磁性 / トポロジー / 物性データベース / 反強磁性体 / 磁気構造 / 第一原理計算 / 磁性 / 群論 / ハイスループット計算 / トポロジカル物質
Outline of Research at the Start

本研究では、独自の磁気構造生成理論に基づく磁性体のハイスループット第一原理計算を発展させた磁性・バンドエンジニアリングにより、高い検出可能性と機能性を持ったトポロジカル磁性材料の探索・設計に取り組む。複雑な磁気秩序のもとで形成されるバンドの非自明な幾何構造がスピン-軌道結合を通して生み出す輸送・応答現象を、磁場・圧力・化学組成の変化によって制御する方法を第一原理計算のハイスループット解析から見出し、電子構造や表面状態の具体的な解析を通してその検出方法とともに提案することで、スピントロニクスやフォトニクスデバイスに革新的な変革をもたらす機能性トポロジカル磁性材料の発見へと繋げる。

Outline of Final Research Achievements

We have constructed a framework for systematically analyzing and exploring topological materials characterized by specific degeneracy of energy bands contributing physical phenomena by developping theoretical methods to systematically generate and analyze the database of antiferromagnetic topological materials. Through exploration based on the constructed database, we discovered new magnetic topological materials. Additionally, we conducted first-principles calculations on Co3Sn2S2, MnCuAs, CoM3S6 (M=Nb, Ta), alpha-Mn, and NbMnP. Through collaborative research with experimental groups, we contributed to elucidating the mechanisms of topological properties in various materials.

Academic Significance and Societal Importance of the Research Achievements

近年、物性データベースの構築や機械学習を利用した解析を通して、目的の物性を示す物質を探索する研究が広く行われている。本研究はこれらの発展の促進に向けて、効率的に意義のあるデータベースを生成する理論的な枠組みや機械学習に入力として与える記述子による表現手法など、解析の基盤となる研究に取り組んでいる。実現確率が高い、高対称な磁気構造を自動的に生成する理論手法や、磁気構造のデータ表現手法の開発を通して、物性データベース解析の基礎理論の発展に貢献した他、実際のデータベース構築・解析を通しての新規トポロジカル物質の提案や各種トポロジカル物質の解析によるトポロジカル物性の機構解明に貢献している。

Report

(4 results)
  • 2023 Annual Research Report   Final Research Report ( PDF )
  • 2022 Annual Research Report
  • 2021 Annual Research Report
  • Research Products

    (26 results)

All 2024 2023 2022 2021 Other

All Int'l Joint Research (2 results) Journal Article (10 results) (of which Int'l Joint Research: 4 results,  Peer Reviewed: 10 results,  Open Access: 6 results) Presentation (13 results) (of which Int'l Joint Research: 2 results,  Invited: 5 results) Remarks (1 results)

  • [Int'l Joint Research] Aalto University(フィンランド)

    • Related Report
      2023 Annual Research Report
  • [Int'l Joint Research] Massachusetts Institute of Technology(英国)

    • Related Report
      2021 Annual Research Report
  • [Journal Article] High-throughput calculations of antiferromagnets hosting anomalous transport phenomena2024

    • Author(s)
      Nomoto Takuya、Minami Susumu、Yanagi Yuki、Suzuki Michi-To、Koretsune Takashi、Arita Ryotaro
    • Journal Title

      Physical Review B

      Volume: 109 Issue: 9 Pages: 094435-094435

    • DOI

      10.1103/physrevb.109.094435

    • Related Report
      2023 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Bipolarity of large anomalous Nernst effect in Weyl magnet-based alloy films2024

    • Author(s)
      Noguchi Shun、Fujiwara Kohei、Yanagi Yuki、Suzuki Michi-To、Hirai Takamasa、Seki Takeshi、Uchida Ken-ichi、Tsukazaki Atsushi
    • Journal Title

      Nature Physics

      Volume: 20 Issue: 2 Pages: 254-260

    • DOI

      10.1038/s41567-023-02293-z

    • Related Report
      2023 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Large anomalous Hall effect and unusual domain switching in an orthorhombic antiferromagnetic material NbMnP2023

    • Author(s)
      Kotegawa Hisashi、Kuwata Yoshiki、Huyen Vu Thi Ngoc、Arai Yuki、Tou Hideki、Matsuda Masaaki、Takeda Keiki、Sugawara Hitoshi、Suzuki Michi-To
    • Journal Title

      npj Quantum Materials

      Volume: 8 Issue: 1 Pages: 56-56

    • DOI

      10.1038/s41535-023-00587-2

    • Related Report
      2023 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Valley polarization dependence of nonreciprocal transport in a chiral semiconductor2023

    • Author(s)
      Sudo Kenta、Yanagi Yuki、Takahashi Takeshi、Huynh Kim-Khuong、Tanigaki Katsumi、Kobayashi Kaya、Suzuki Michi-To、Kimata Motoi
    • Journal Title

      Physical Review B

      Volume: 108 Issue: 12 Pages: 125137-125137

    • DOI

      10.1103/physrevb.108.125137

    • Related Report
      2023 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] High-performance descriptor for magnetic materials: Accurate discrimination of magnetic structure2023

    • Author(s)
      Suzuki Michi-To、Nomoto Takuya、Morooka Eiaki V.、Yanagi Yuki、Kusunose Hiroaki
    • Journal Title

      Physical Review B

      Volume: 108 Issue: 1 Pages: 014403-014403

    • DOI

      10.1103/physrevb.108.014403

    • Related Report
      2023 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Spin-Derived Electric Polarization and Chirality Density Inherent in Localized Electron Orbitals2023

    • Author(s)
      Hoshino Shintaro、Suzuki Michi-To、Ikeda Hiroaki
    • Journal Title

      Physical Review Letters

      Volume: 130 Issue: 25 Pages: 1-6

    • DOI

      10.1103/physrevlett.130.256801

    • Related Report
      2023 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Generation of modulated magnetic structures based on cluster multipole expansion: Application to α-Mn and CoM3S62023

    • Author(s)
      Yanagi Yuki、Kusunose Hiroaki、Nomoto Takuya、Arita Ryotaro、Suzuki Michi-To
    • Journal Title

      Physical Review B

      Volume: 107 Issue: 1 Pages: 014407-014407

    • DOI

      10.1103/physrevb.107.014407

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Spin and anomalous Hall effects emerging from topological degeneracy in the Dirac fermion system CuMnAs2021

    • Author(s)
      Huyen Vu Thi Ngoc、Yanagi Yuki、Suzuki Michi-To
    • Journal Title

      Physical Review B

      Volume: 104 Issue: 3 Pages: 035110-035110

    • DOI

      10.1103/physrevb.104.035110

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed
  • [Journal Article] First-principles investigation of magnetic and transport properties in hole-doped shandite compounds Co3InxSn2-xS2InxSn2-xS22021

    • Author(s)
      Yanagi Yuki、Ikeda Junya、Fujiwara Kohei、Nomura Kentaro、Tsukazaki Atsushi、Suzuki Michi-To
    • Journal Title

      Physical Review B

      Volume: 103 Issue: 20 Pages: 205112-205112

    • DOI

      10.1103/physrevb.103.205112

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Fractional Corner Charge of Sodium Chloride2021

    • Author(s)
      Watanabe Haruki、Po Hoi Chun
    • Journal Title

      Physical Review X

      Volume: 11 Issue: 4

    • DOI

      10.1103/physrevx.11.041064

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Presentation] 磁性体の巨大輸送現象における時間反転対称性の破れたベリー曲率分布の解析2024

    • Author(s)
      鈴木通人
    • Organizer
      トピカルミーティング「アシンメトリ量子物質の開発ー現状と展望ー」
    • Related Report
      2023 Annual Research Report
    • Invited
  • [Presentation] クラスター多極子法と第一原理計算による反強磁性体の物性探索2024

    • Author(s)
      鈴木通人
    • Organizer
      日本物理学会2024年春季大会シンポジウム
    • Related Report
      2023 Annual Research Report
    • Invited
  • [Presentation] 磁性体の高性能な記述子の研究:磁気構造の精密な識別2023

    • Author(s)
      鈴木通人
    • Organizer
      計算科学と情報学を用いた材料開発の新展開-2023
    • Related Report
      2023 Annual Research Report
  • [Presentation] 磁性体の高性能な記述子の研究:磁気構造の精密な識別2023

    • Author(s)
      鈴木通人, 野本拓也, Eiaki V. Morooka, 柳有起, 楠瀬博明
    • Organizer
      第47回日本磁気学会学術講演会
    • Related Report
      2023 Annual Research Report
  • [Presentation] First-principles calculations of Piezomagnetic coefficients in antiferromagnets Mn3AN (A=Ni, Cu, Zn, Ga, Ge) and Mn3X (X=Sn, Ge)2023

    • Author(s)
      Vu Thi Ngoc Huyen, Yuki Yanagi, Michi-To Suzuki
    • Organizer
      International Conference on Strongly Correlated Electron Systems 2023 (SCES2023)
    • Related Report
      2023 Annual Research Report
  • [Presentation] First-principles analysis of anomalous transport phenomena and piezomagnetic effect in antiferromagnets2023

    • Author(s)
      Michi-To Suzuki
    • Organizer
      Topology, spin-orbit interactions and superconductivity in strongly correlated quantum materials under extreme conditions
    • Related Report
      2023 Annual Research Report
    • Invited
  • [Presentation] Exploring Functional Antiferromagnetic Materials with Magnetic Structure Screening and First-Principles Calculation2023

    • Author(s)
      Michi-To Suzuki
    • Organizer
      Summit of Materials Science 2023 and GIMRT User Meeting 2023 (SMS2023)
    • Related Report
      2023 Annual Research Report
  • [Presentation] Partial spectrum descriptors of local magnetic environments2022

    • Author(s)
      Michi-To Suzuki
    • Organizer
      GIMRT, REIMEI, IRN Aperiodic joint international workshop
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] 強相関電子系の第一原理計算における一電子ポテンシャルと軌道異方性の研究2022

    • Author(s)
      鈴木通人
    • Organizer
      日本物理学会2022年秋季大会
    • Related Report
      2022 Annual Research Report
  • [Presentation] Partial spectrum descriptors of local magnetic environments2022

    • Author(s)
      Michi-To Suzuki
    • Organizer
      10th International Conference on Aperiodic Crystals (Aperiodic 2022)
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 準結晶における対称性適合磁気構造の研究2022

    • Author(s)
      鈴木通人
    • Organizer
      新学術領域ハイパーマテリアル 第8回領域Web会議
    • Related Report
      2022 Annual Research Report
  • [Presentation] Magnetic materials design by representation theory & first-principles calculation,2021

    • Author(s)
      鈴木通人
    • Organizer
      東京大学物性研究所理論セミナー
    • Related Report
      2021 Annual Research Report
    • Invited
  • [Presentation] 準結晶における対称性適合な磁気構造の生成に向けた研究2021

    • Author(s)
      鈴木通人
    • Organizer
      新学術領域ハイパーマテリアル 第6回領域Web会議
    • Related Report
      2021 Annual Research Report
  • [Remarks] CCMS 東北大学 金属材料研究所 計算材料学センター 鈴木通人

    • URL

      https://www.sc.imr.tohoku.ac.jp/researcher/suzuki/index.html

    • Related Report
      2023 Annual Research Report

URL: 

Published: 2021-04-28   Modified: 2025-01-30  

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