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非従来型超伝導に対する第一原理手法の開発

Research Project

Project/Area Number 22KJ0958
Project/Area Number (Other) 22J14746 (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 InstitutionKeio University (2023)
The University of Tokyo (2022)

Principal Investigator

WANG TIANCHUN  慶應義塾大学, 理工学研究科(矢上), 特任助教

Project Period (FY) 2023-03-08 – 2024-03-31
Project Status Completed (Fiscal Year 2023)
Budget Amount *help
¥1,700,000 (Direct Cost: ¥1,700,000)
Fiscal Year 2023: ¥800,000 (Direct Cost: ¥800,000)
Fiscal Year 2022: ¥900,000 (Direct Cost: ¥900,000)
Keywordssuperconductivity / first-principles / hydrides / ab initio calculation / hydride superconductor / electron-phonon coupling
Outline of Research at the Start

This first-principles method can be used widely in superconductors. With the only input of crystal structures, we can predict many properties of it. Combined with structure prediction method and optimization method, efficient scheme to search for novel superconductors can be realized.

Outline of Annual Research Achievements

In 2022, we have improved our theoretical methods of ab initio calculation of Tc. We combined our methods with structure prediction methods, and proposed a systematical routine to find optimal elements for lanthanum hydrides. We have successfully predicted that by doping calcium we can increase the transition temperature for lanthanum hydride to reach room-temperature with lower pressure.
In 2023, we have studied the effect of self-consistency in the calculation of electronic self-energy. We have found that the inclusion of self-consistency in self-energy is crucial in our Migdal-Eliashberg calculations. Moreover, using our methods, we have successfully reproduced the experimental Tc value of MgB2.

Report

(2 results)
  • 2023 Annual Research Report
  • 2022 Annual Research Report
  • Research Products

    (7 results)

All 2023 2022

All Journal Article (3 results) (of which Int'l Joint Research: 2 results,  Peer Reviewed: 3 results,  Open Access: 1 results) Presentation (4 results) (of which Int'l Joint Research: 4 results)

  • [Journal Article] Importance of self-consistency in first-principles Eliashberg calculation for superconducting transition temperature2023

    • Author(s)
      Wang Tianchun、Nomoto Takuya、Koretsune Takashi、Arita Ryotaro
    • Journal Title

      Journal of Physics and Chemistry of Solids

      Volume: 178 Pages: 111348-111348

    • DOI

      10.1016/j.jpcs.2023.111348

    • Related Report
      2023 Annual Research Report 2022 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Optimal alloying in hydrides: Reaching room-temperature superconductivity in LaH102022

    • Author(s)
      Wang Tianchun、Flores-Livas Jos? A.、Nomoto Takuya、Ma Yanming、Koretsune Takashi、Arita Ryotaro
    • Journal Title

      Physical Review B

      Volume: 105 Issue: 17 Pages: 174516-174516

    • DOI

      10.1103/physrevb.105.174516

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Efficient ab initio many-body calculations based on sparse modeling of Matsubara Green's function2022

    • Author(s)
      Shinaoka Hiroshi、Chikano Naoya、Gull Emanuel、Li Jia、Nomoto Takuya、Otsuki Junya、Wallerberger Markus、Wang Tianchun、Yoshimi Kazuyoshi
    • Journal Title

      SciPost Physics Lecture Notes

      Volume: 63 Pages: 1-27

    • DOI

      10.21468/scipostphyslectnotes.63

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Presentation] Optimal alloying in hydrides: Reaching room-temperature superconductivity in LaH102023

    • Author(s)
      Tianchun Wang
    • Organizer
      Conference of Condensed Matter Physics 2023
    • Related Report
      2023 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Optimal allying in hydrides: Reaching room-temperature superconductivity in LaH102023

    • Author(s)
      Tianchun Wang
    • Organizer
      APS March Meeting 2023, Las Vegas, USA
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Absence of conventional room-temperature superconductivity at high pressure in carbon-doped H3S2022

    • Author(s)
      Tianchun Wang
    • Organizer
      29th International Conference on LOW TEMPERATURE PHYSICS, Sapporo, Japan (LT29)
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Optimal allying in hydrides: Reaching room-temperature superconductivity in LaH102022

    • Author(s)
      Tianchun Wang
    • Organizer
      35th International Symposium on Superconductivity, Nagoya/Online, Japan (ISS2022)
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research

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Published: 2022-04-28   Modified: 2024-12-25  

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