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Simultaneous optimization of crystal and magnetic structures: Applications to topological magnetic electrides

Research Project

Project/Area Number 22KJ1151
Project/Area Number (Other) 22J23068 (2022)
Research Category

Grant-in-Aid for JSPS Fellows

Allocation TypeMulti-year Fund (2023)
Single-year Grants (2022)
Section国内
Review Section Basic Section 13030:Magnetism, superconductivity and strongly correlated systems-related
Research InstitutionThe University of Tokyo

Principal Investigator

YU Tonghua  東京大学, 工学系研究科, 特別研究員(PD)

Project Period (FY) 2023-03-08 – 2025-03-31
Project Status Completed (Fiscal Year 2024)
Budget Amount *help
¥2,500,000 (Direct Cost: ¥2,500,000)
Fiscal Year 2024: ¥800,000 (Direct Cost: ¥800,000)
Fiscal Year 2023: ¥800,000 (Direct Cost: ¥800,000)
Fiscal Year 2022: ¥900,000 (Direct Cost: ¥900,000)
KeywordsElectrides / Half-Heuslers / Magnetoresistance / First-principles / Topological phases / Majorana Fermions / Weyl semimetals / Topological materials / Magnetism / Molecular crystals / Ab initio calculations
Outline of Research at the Start

This research aims to deepen our fundamental understanding of unique properties of electrides, a distinct family of materials where some electrons reside at interstitial space, and meanwhile implement electrides as a testbed for novel theories and methods, through which we hope to advance our predictive capability of this kind of notable materials.

Outline of Annual Research Achievements

1. In collaboration with experimentalists, we expanded the study of the half-Heusler compound HoAuSn to more materials in this family, RAuSn (R = Ho, Er, Tm, Lu). For all systems with magnetic rare-earth ions, colossal negative magnetoresistance were discovered, which are attributed to the field induced Weyl- semimetal phase therein. A rich variety of spin textures was revealed in LuAuSn.
2. In electrides, the superconductivity is believed to be of BCS origin, and has limited association with the interstitial electrons. We therefore tuned the research direction to focus more on the quantum geometry, to which the substantial overlap between interstitial orbitals with atomic orbitals could make significant contribution, as the preliminary result. Future investigation will be followed.

Report

(3 results)
  • 2024 Annual Research Report
  • 2023 Research-status Report
  • 2022 Annual Research Report
  • Research Products

    (13 results)

All 2025 2024 2023 2022

All Journal Article (5 results) (of which Int'l Joint Research: 4 results,  Peer Reviewed: 5 results,  Open Access: 2 results) Presentation (8 results) (of which Int'l Joint Research: 7 results)

  • [Journal Article] Noncentrosymmetric half-Heusler family of RAuSn with controllable band spin texture and colossal magnetoresistance2025

    • Author(s)
      Ueda Kentaro、Yu Tonghua、Kriener Markus、Hirayama Motoaki、Arita Ryotaro、Tokura Yoshinori
    • Journal Title

      Physical Review B

      Volume: 111 Issue: 3 Pages: 035140-035140

    • DOI

      10.1103/physrevb.111.035140

    • Related Report
      2024 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Colossal negative magnetoresistance in field-induced Weyl semimetal of magnetic half-Heusler compound2023

    • Author(s)
      Ueda Kentaro、Yu Tonghua、Hirayama Motoaki、Kurokawa Ryo、Nakajima Taro、Saito Hiraku、Kriener Markus、Hoshino Manabu、Hashizume Daisuke、Arima Taka-hisa、Arita Ryotaro、Tokura Yoshinori
    • Journal Title

      Nature Communications

      Volume: 14 Issue: 1 Pages: 1-8

    • DOI

      10.1038/s41467-023-41982-4

    • Related Report
      2023 Research-status Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Real-Space Observation of Ripple-Induced Symmetry Crossover in Ultrathin MnPS<sub>3</sub>2023

    • Author(s)
      Wang Ziqian、Gao Meng、Yu Tonghua、Zhou Siyuan、Xu Mingquan、Hirayama Motoaki、Arita Ryotaro、Shiomi Yuki、Zhou Wu、Ogawa Naoki
    • Journal Title

      ACS Nano

      Volume: 17 Issue: 3 Pages: 1916-1924

    • DOI

      10.1021/acsnano.2c04995

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Interstitial‐Electron‐Induced Topological Molecular Crystals2022

    • Author(s)
      Yu Tonghua、Arita Ryotaro、Hirayama Motoaki
    • Journal Title

      Advanced Physics Research

      Volume: 2 Issue: 3 Pages: 2200041-2200041

    • DOI

      10.1002/apxr.202200041

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Efficient hydrogen evolution reaction due to topological polarization2022

    • Author(s)
      Jiang Ming-Chun、Guo Guang-Yu、Hirayama Motoaki、Yu Tonghua、Nomoto Takuya、Arita Ryotaro
    • Journal Title

      Physical Review B

      Volume: 106 Issue: 16 Pages: 165120-165120

    • DOI

      10.1103/physrevb.106.165120

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Presentation] Topological boundary states at the half- Heusler interfaces2025

    • Author(s)
      Tonghua Yu, Ryotaro Arita, Motoaki Hirayama
    • Organizer
      Workshop on theory of cross correlations, multipoles, and computational material design
    • Related Report
      2024 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Topological boundary states and chiral Majorana modes at the half-Heusler interfaces2024

    • Author(s)
      Tonghua Yu, Ryotaro Arita, Motoaki Hirayama
    • Organizer
      JPS 79th Annual Meeting
    • Related Report
      2024 Annual Research Report
  • [Presentation] Topological interface states of magnetic half-Heusler materials2024

    • Author(s)
      T. Yu, R. Arita, M. Hirayama
    • Organizer
      International Symposium on Quantum Electronics
    • Related Report
      2023 Research-status Report
    • Int'l Joint Research
  • [Presentation] Topological interface states of magnetic half-Heusler materials2024

    • Author(s)
      T. Yu, R. Arita, M. Hirayama
    • Organizer
      CEMS Symposium on Emergent Quantum Materials 2024
    • Related Report
      2023 Research-status Report
    • Int'l Joint Research
  • [Presentation] Interstitial-electron-induced topological molecular crystals: Topological Zintl compounds K4Ba2[SnBi4] and the related family2023

    • Author(s)
      T. Yu, R. Arita, M. Hirayama
    • Organizer
      Conference of Condensed Matter Physics 2023
    • Related Report
      2023 Research-status Report
    • Int'l Joint Research
  • [Presentation] Interstitial anionic electrons in correlated transition metal compounds2023

    • Author(s)
      TY, R. Arita, M. Hirayama
    • Organizer
      APS March Meeting 2023
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Relativistic topological molecular crystals2022

    • Author(s)
      TY, R. Arita, M. Hirayama
    • Organizer
      29th International Conference on Low Temperature Physics
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Interstitial-electron-induced topological molecular crystals2022

    • Author(s)
      TY, R. Arita, M. Hirayama
    • Organizer
      Novel Quantum States in Condensed Matter 2022
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research

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Published: 2022-04-28   Modified: 2025-12-26  

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