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Exploration of superconducting materials using first-principles calculations

Research Project

Project/Area Number 18K03442
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeMulti-year Fund
Section一般
Review Section Basic Section 13010:Mathematical physics and fundamental theory of condensed matter physics-related
Research InstitutionTohoku University

Principal Investigator

Koretsune Takashi  東北大学, 理学研究科, 准教授 (90391953)

Project Period (FY) 2018-04-01 – 2022-03-31
Project Status Completed (Fiscal Year 2021)
Budget Amount *help
¥4,420,000 (Direct Cost: ¥3,400,000、Indirect Cost: ¥1,020,000)
Fiscal Year 2021: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000)
Fiscal Year 2020: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000)
Fiscal Year 2019: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
Fiscal Year 2018: ¥910,000 (Direct Cost: ¥700,000、Indirect Cost: ¥210,000)
Keywords超伝導 / 第一原理計算 / 物質探索
Outline of Final Research Achievements

We have conducted research to establish a technique to reproduce superconducting transition temperatures of hydrogen compounds and to explore new superconducting materials. We found that the superconducting transition temperature of LaH10 can be explained by quantum effects originating from the quantum fluctuation of hydrogen, and showed that the transition temperature can be reproduced quantitatively. We also studied hydrides containing sulfur and carbon, which were experimentally pointed out as possible room-temperature superconductors, and clarified that the room-temperature superconductivity cannot be explained by the conventional mechanism. We believe that these results will be indispensable knowledge in the exploration of new superconducting materials with higher transition temperatures.

Academic Significance and Societal Importance of the Research Achievements

転移温度が室温にせまる超伝導体の転移温度を,経験的なパラメータを一切用いず,基本方程式と結晶構造のみに立脚して定量的に説明できることを示したこと,また,そこでは水素の量子効果が重要な役割を果たしていることを示したことは,今後の水素化合物超伝導体探索において欠かせない知見である。本手法は従来型の超伝導体であれば他の超伝導体にも適用可能であり,今後,様々な超伝導体探索に適用が期待される。

Report

(5 results)
  • 2021 Annual Research Report   Final Research Report ( PDF )
  • 2020 Research-status Report
  • 2019 Research-status Report
  • 2018 Research-status Report
  • Research Products

    (15 results)

All 2022 2021 2020 2019 2018 Other

All Int'l Joint Research (2 results) Journal Article (9 results) (of which Int'l Joint Research: 5 results,  Peer Reviewed: 9 results,  Open Access: 2 results) Presentation (2 results) (of which Invited: 1 results) Remarks (2 results)

  • [Int'l Joint Research] University of the Basque Country(スペイン)

    • Related Report
      2019 Research-status Report
  • [Int'l Joint Research] Sapienza Universita di Roma(イタリア)

    • Related Report
      2019 Research-status Report
  • [Journal Article] Wannier-based implementation of the coherent potential approximation with applications to Fe-based transition metal alloys2022

    • Author(s)
      Ito Naohiro、Nomoto Takuya、Kobayashi Koji、Mankovsky Sergiy、Nomura Kentaro、Arita Ryotaro、Ebert Hubert、Koretsune Takashi
    • Journal Title

      Physical Review B

      Volume: 105 Issue: 12 Pages: 125136-125136

    • DOI

      10.1103/physrevb.105.125136

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Absence of conventional room-temperature superconductivity at high pressure in carbon-doped H3S2021

    • Author(s)
      Wang Tianchun、Hirayama Motoaki、Nomoto Takuya、Koretsune Takashi、Arita Ryotaro、Flores-Livas Jose
    • Journal Title

      Physical Review B

      Volume: 104 Issue: 6

    • DOI

      10.1103/physrevb.104.064510

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] 原子核の量子ゆらぎが支える高圧下LaH10の高温超伝導2020

    • Author(s)
      只野央将、是常 隆、有田亮太郎
    • Journal Title

      固体物理

      Volume: 55 Pages: 425-434

    • Related Report
      2020 Research-status Report
    • Peer Reviewed
  • [Journal Article] Efficient ab initio Migdal-Eliashberg calculation considering the retardation effect in phonon-mediated superconductors2020

    • Author(s)
      Tianchun Wang, Takuya Nomoto, Yusuke Nomura, Hiroshi Shinaoka, Junya Otsuki, T. Koretsune, and Ryotaro Arita
    • Journal Title

      Physical Review B

      Volume: 102 Issue: 13 Pages: 134503-134503

    • DOI

      10.1103/physrevb.102.134503

    • Related Report
      2020 Research-status Report
    • Peer Reviewed
  • [Journal Article] Quantum crystal structure in the 250-kelvin superconducting lanthanum hydride2020

    • Author(s)
      Errea Ion、Belli Francesco、Monacelli Lorenzo、Sanna Antonio、Koretsune Takashi、Tadano Terumasa、Bianco Raffaello、Calandra Matteo、Arita Ryotaro、Mauri Francesco、Flores-Livas Jose
    • Journal Title

      Nature

      Volume: 578 Issue: 7793 Pages: 66-69

    • DOI

      10.1038/s41586-020-1955-z

    • Related Report
      2019 Research-status Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Wannier90 as a community code: new features and applications2020

    • Author(s)
      Pizzi Giovanni et al
    • Journal Title

      Journal of Physics: Condensed Matter

      Volume: 32 Issue: 16 Pages: 165902-165902

    • DOI

      10.1088/1361-648x/ab51ff

    • Related Report
      2019 Research-status Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Microscopic characterization of the superconducting gap function in Sn1-xInxTe2020

    • Author(s)
      Nomoto T.、Kawamura M.、Koretsune T.、Arita R.、Machida T.、Hanaguri T.、Kriener M.、Taguchi Y.、Tokura Y.
    • Journal Title

      Physical Review B

      Volume: 101 Issue: 1 Pages: 014505-014505

    • DOI

      10.1103/physrevb.101.014505

    • Related Report
      2019 Research-status Report
    • Peer Reviewed
  • [Journal Article] Tailoring band structure and band filling in a simple cubic (IV, III)-VI superconductor2018

    • Author(s)
      Kriener M.、Kamitani M.、Koretsune T.、Arita R.、Taguchi Y.、Tokura Y.
    • Journal Title

      Physical Review Materials

      Volume: 2 Issue: 4

    • DOI

      10.1103/physrevmaterials.2.044802

    • Related Report
      2018 Research-status Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Electronic Structure Calculation and Superconductivity in λ-(BETS)2GaCl42018

    • Author(s)
      Aizawa Hirohito、Koretsune Takashi、Kuroki Kazuhiko、Seo Hitoshi
    • Journal Title

      Journal of the Physical Society of Japan

      Volume: 87 Issue: 9 Pages: 093701-093701

    • DOI

      10.7566/jpsj.87.093701

    • NAID

      210000134936

    • Related Report
      2018 Research-status Report
    • Peer Reviewed / Open Access
  • [Presentation] Wannier関数を用いたCPA計算の実装2022

    • Author(s)
      伊東直洋, 野本拓也, 小林浩二, Sergiy Mankovsky, 野村健太郎, 有田亮太郎, Hubert Ebert, 是常隆
    • Organizer
      日本物理学会第77回年次大会
    • Related Report
      2021 Annual Research Report
  • [Presentation] La水素化物における量子効果と超伝導2019

    • Author(s)
      是常隆
    • Organizer
      基研研究会 「電子相関が生み出す超伝導現象の未解決問題と新しい潮流」
    • Related Report
      2019 Research-status Report
    • Invited
  • [Remarks] 是常グループ

    • URL

      http://www.cmpt.phys.tohoku.ac.jp/~koretsune/

    • Related Report
      2019 Research-status Report
  • [Remarks] ほぼ室温超伝導を示す高圧下ランタン水素は量子固体だった

    • URL

      https://www.sci.tohoku.ac.jp/news/20200206-10924.html

    • Related Report
      2019 Research-status Report

URL: 

Published: 2018-04-23   Modified: 2023-01-30  

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