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High-temperature superconductivity in surface/interface systems by first-principles calculations

Research Project

Project/Area Number 19K03716
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeMulti-year Fund
Section一般
Review Section Basic Section 13030:Magnetism, superconductivity and strongly correlated systems-related
Research InstitutionMie University

Principal Investigator

Sano Kazuhiro  三重大学, 工学研究科, 教授 (40201537)

Co-Investigator(Kenkyū-buntansha) 大野 義章  新潟大学, 自然科学系, 教授 (40221832)
中村 浩次  三重大学, 工学研究科, 教授 (70281847)
Project Period (FY) 2019-04-01 – 2023-03-31
Project Status Completed (Fiscal Year 2022)
Budget Amount *help
¥4,160,000 (Direct Cost: ¥3,200,000、Indirect Cost: ¥960,000)
Fiscal Year 2022: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
Fiscal Year 2021: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
Fiscal Year 2020: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
Fiscal Year 2019: ¥2,210,000 (Direct Cost: ¥1,700,000、Indirect Cost: ¥510,000)
Keywords超伝導 / 第一原理計算 / 表面・界面系 / タングステンブロンズ / 表面系
Outline of Research at the Start

アルカリ金属をドープしたタングステンブロンズ(WO3)の表面系や鉄セレン化合物(FeSe)界面系では常圧下でありながら超伝導転移温度Tcが100K前後となっており従来から知られている高温超伝導体である銅酸化物系のTcに匹敵する転移温度が観測されており極めて興味深い。WO3やFeSe系、いずれの系もバルク状態でも超伝導を示すが、そのTcは10K以下であり表面や界面を構成することによりTcが大幅に上昇したものと言える。本研究では物質の電子状態を忠実に反映することが出来る計算機シミュレーション(第一原理計算)を用いて、これらの電子状態を詳しく調べ高いTcを生み出す超伝導メカニズムの解明を目指す。

Outline of Final Research Achievements

The purpose of this study is to elucidate the mechanism of high-temperature superconductivity reported in tungsten bronze surface systems and interface systems in iron-based superconductors. These systems have a superconducting transition temperature Tc of around 100K even under normal pressure, which is very interesting because it is close to the transition temperature observed in the well-known copper oxide system. These systems show superconductivity even in the bulk state, but their Tc is less than 10K, and it is highly possible that the Tc is greatly increased by the surface and interface effects. Therefore, we hypothesized that the essence of these superconducting mechanisms might be expressed by the mutual cooperation of phonons and electron correlations, and examined them by first-principles calculations. These results have been compiled and published as a paper.

Academic Significance and Societal Importance of the Research Achievements

巨視的な量子現象である超伝導は学術的に興味深いだけでなく、高い超伝導転移温度を持つ物質が発見されれば、それを用いた電子デバイスや強力な電磁石への応用等が期待され大きな社会的意義を持つ。本研究では第一原理計算を用いて超伝導機構として従来から知られていたフォノンに加え電子相関の効果を加えたメカニズムが、新しい高温超伝導メカニズムの候補になりえるかどうかを検討した。常圧下ではフォノンメカニズムだけでは高い転移温度を実現することは難しいものと考えられるが、これに電子相関の効果を加えれば相乗的に高い転移温度が期待される訳である。本研究はこの新しい高温超伝導メカニズム研究の礎となったと考えられる。

Report

(5 results)
  • 2022 Annual Research Report   Final Research Report ( PDF )
  • 2021 Research-status Report
  • 2020 Research-status Report
  • 2019 Research-status Report
  • Research Products

    (39 results)

All 2023 2022 2021 2020 2019

All Journal Article (13 results) (of which Int'l Joint Research: 1 results,  Peer Reviewed: 13 results,  Open Access: 6 results) Presentation (26 results) (of which Int'l Joint Research: 5 results,  Invited: 1 results)

  • [Journal Article] Prediction-accuracy improvement of neural network to ferromagnetic multilayers by Gaussian data augmentation and ensemble learning2023

    • Author(s)
      Nawa Kenji、Hagiwara Katsuyuki、Nakamura Kohji
    • Journal Title

      Computational Materials Science

      Volume: 219 Pages: 112032-112032

    • DOI

      10.1016/j.commatsci.2023.112032

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Superconductivity of Carbon Compounds with Sodalite Structure2022

    • Author(s)
      Sano Kazuhiro、Masuda Yoshimi、Ito Hiroki
    • Journal Title

      Journal of the Physical Society of Japan

      Volume: 91 Issue: 8

    • DOI

      10.7566/jpsj.91.083703

    • NAID

      130008151698

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Structure, electric transport, and magneto-transport properties of metallic double-chain based Pr1-xCaxBa2Cu4O8 with low Ca substitution2022

    • Author(s)
      Teramura Takehiro、Matsukawa Michiaki、Senzaki Tatsuya、Taniguchi Haruka、Sano Kazuhiro、Ono Yoshiaki、Hagiwara Makoto
    • Journal Title

      Physica B: Condensed Matter

      Volume: 646 Pages: 414226-414226

    • DOI

      10.1016/j.physb.2022.414226

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Surface electronic structure of possible high-Tc surface superconductor WO3 based on the first-principles calculation2022

    • Author(s)
      Sekikawa Takuya、Kawai Hiroyuki、Ono Yoshiaki
    • Journal Title

      Journal of Physics: Conference Series

      Volume: 2323 Issue: 1 Pages: 012006-012006

    • DOI

      10.1088/1742-6596/2323/1/012006

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] First-Principles Study of the RKKY Interaction and the Quadrupole Order in the Pr 1-2-20 Systems PrT2Al20 (T=Ti, V)2022

    • Author(s)
      Iizuka Yuto、Yamada Takemi、Hanzawa Katsurou、Ono Yoshiaki
    • Journal Title

      Journal of the Physical Society of Japan

      Volume: 91 Issue: 7

    • DOI

      10.7566/jpsj.91.074708

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Electronic Structures of Graphene/MoS2; Heterostructure: Effects of Stacking Orientation, Element Substitution, and Interlayer Distance2022

    • Author(s)
      Hastuti Dian Putri、Nawa Kenji、Nakamura Kohji
    • Journal Title

      Indonesian Journal of Chemistry

      Volume: 23 Issue: 1 Pages: 140-140

    • DOI

      10.22146/ijc.75538

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Phase diagram of the three-orbital Hubbard-Holstein model simulating Superconducting Tungsten Bronze A<sub>x</sub>WO<sub>3</sub>2022

    • Author(s)
      Sekikawa Takuya and Ono Yoshiaki
    • Journal Title

      Journal of Physics: Conference Series

      Volume: 2164 Issue: 1 Pages: 012012-012012

    • DOI

      10.1088/1742-6596/2164/1/012012

    • Related Report
      2021 Research-status Report
    • Peer Reviewed / Open Access
  • [Journal Article] Temperature and doping dependence of the singlet and triplet pair susceptibilities in the one-band Hubbard model based on the dynamical mean-field theory2022

    • Author(s)
      Inokuma Yusuke, and Ono Yoshiaki
    • Journal Title

      Journal of Physics: Conference Series

      Volume: 2164 Issue: 1 Pages: 012017-012017

    • DOI

      10.1088/1742-6596/2164/1/012017

    • Related Report
      2021 Research-status Report
    • Peer Reviewed / Open Access
  • [Journal Article] First Principles Calculation of Optical Properties of Transition Metals for Surface Plasmon Resonance Application2020

    • Author(s)
      Arifin Muhammad、Matsumoto Takahiro、Pradipto Abdul-Muizz、Akiyama Toru、Ito Tomonori、Nakamura Kohji
    • Journal Title

      e-Journal of Surface Science and Nanotechnology

      Volume: 18 Issue: 0 Pages: 133-138

    • DOI

      10.1380/ejssnt.2020.133

    • NAID

      130007829934

    • ISSN
      1348-0391
    • Year and Date
      2020-04-09
    • Related Report
      2020 Research-status Report
    • Peer Reviewed
  • [Journal Article] Transition Temperature of Superconductivity in Sodium Tungsten Bronze - Theoretical Study Based on First-principles Calculations -2020

    • Author(s)
      Sano Kazuhiro、Nitta Yoshihiro、Ono Yoshiaki
    • Journal Title

      Journal of the Physical Society of Japan

      Volume: 89 Issue: 11 Pages: 113704-113704

    • DOI

      10.7566/jpsj.89.113704

    • NAID

      40022406650

    • Related Report
      2020 Research-status Report
    • Peer Reviewed
  • [Journal Article] Electronic States of AlMgZn Quasicrystal and Its Approximant Based on First‐Principles Calculations2020

    • Author(s)
      Saito Masaki、Sekikawa Takuya、Ono Yoshiaki
    • Journal Title

      physica status solidi (b)

      Volume: 257 Issue: 11 Pages: 2000108-2000108

    • DOI

      10.1002/pssb.202000108

    • Related Report
      2020 Research-status Report
    • Peer Reviewed
  • [Journal Article] Plasmon Effect on the Coulomb Pseudopotential μ* in the McMillan Equation2019

    • Author(s)
      Sano Kazuhiro、Seo Mithuki、Nakamura Kohji
    • Journal Title

      Journal of the Physical Society of Japan

      Volume: 88 Issue: 9 Pages: 093703-093703

    • DOI

      10.7566/jpsj.88.093703

    • NAID

      40022008711

    • Related Report
      2019 Research-status Report
    • Peer Reviewed
  • [Journal Article] Enhanced perpendicular magnetocrystalline anisotropy energy in an artificial magnetic material with bulk spin-momentum coupling2019

    • Author(s)
      Pradipto Abdul-Muizz、Yakushiji Kay、Ham Woo Seung、Kim Sanghoon、Shiota Yoichi、Moriyama Takahiro、Kim Kyoung-Whan、Lee Hyun-Woo、Nakamura Kohji、Lee Kyung-Jin、Ono Teruo
    • Journal Title

      Physical Review B

      Volume: 99 Issue: 18

    • DOI

      10.1103/physrevb.99.180410

    • Related Report
      2019 Research-status Report
    • Peer Reviewed / Int'l Joint Research
  • [Presentation] 第一原理計算を用いたSrTiO3の電子状態と超伝導Ⅲ2023

    • Author(s)
      伊海田陸, 関川卓也, 大野義章, 佐野和博, 桝田佳美
    • Organizer
      日本物理学会2023年春季大会
    • Related Report
      2022 Annual Research Report
  • [Presentation] 第一原理計算による鉄系超伝導体111系と同じ構造のLaCoX (X=C,Si,Ge,Sn,Pb)の電子・フォノン状態と超伝導2023

    • Author(s)
      川井弘之, 佐野和博, 尾崎泰助, 大野義章
    • Organizer
      日本物理学会2023年春季大会
    • Related Report
      2022 Annual Research Report
  • [Presentation] 第一原理分子動力学計算を用いたフォノン高温超伝導体の安定性の検討2023

    • Author(s)
      佐野和博
    • Organizer
      日本物理学会2023年春季大会
    • Related Report
      2022 Annual Research Report
  • [Presentation] 第一原理計算を用いたSrTiO3の電子状態と超伝導II2022

    • Author(s)
      伊海田陸, 関川卓也, 大野義章, 佐野和博, 枡田佳美
    • Organizer
      日本物理学会2022年秋季大会
    • Related Report
      2022 Annual Research Report
  • [Presentation] 第一原理計算による鉄系超伝導体111系と同じ構造をもつLaCoX (X=Si, Ge)の電子状態と超伝導2022

    • Author(s)
      川井弘之, 大野義章, 佐野和博
    • Organizer
      日本物理学会2022年秋季大会
    • Related Report
      2022 Annual Research Report
  • [Presentation] 金属水素の量子融解と超伝導2022

    • Author(s)
      佐野和博
    • Organizer
      日本物理学会2022年秋季大会
    • Related Report
      2022 Annual Research Report
  • [Presentation] 第一原理計算による遷移金属硫化物WS2の超伝導転移温度の圧力依存性2022

    • Author(s)
      王宇, 関川卓也, 大野義章, 佐野和博
    • Organizer
      日本物理学会2022年秋季大会
    • Related Report
      2022 Annual Research Report
  • [Presentation] Doping dependence of the superconducting transition temperature in electron-doped SrTiO3 based on the first-principles calculations2022

    • Author(s)
      Riku Ikaida, Kazuhiro Sano, Yoshimi Masuda, Takuya Sekikawa and Yoshiaki Ono
    • Organizer
      The 15th Asia Pacific Physics Conference (APPC15)
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Pressure dependence of the superconducting transition temperature in 2M-WS2 and 3R-WS2 based on the first-principles calculations2022

    • Author(s)
      Wang Yu, Takuya Sekikawa, Yoshiaki Ono and Kazuhiro Sano
    • Organizer
      The 15th Asia Pacific Physics Conference (APPC15)
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 第一原理計算によるAl-Zn-Mg近似結晶の電子状態と輸送係数II2022

    • Author(s)
      齋藤雅樹, 関川卓也, 大野義章
    • Organizer
      日本物理学会2022年第77回年次大会
    • Related Report
      2021 Research-status Report
  • [Presentation] 第一原理計算に基づく表面高温超伝導の候補物質AxWO3表面の電子状態2022

    • Author(s)
      関川卓也, 川井弘之, 大野義章
    • Organizer
      第69回応用物理学会春季学術講演会
    • Related Report
      2021 Research-status Report
  • [Presentation] 第一原理計算に基づく遷移金属硫化物WS2の電子状態と超伝導性研究2021

    • Author(s)
      王宇, 関川卓也, 大野義章, 佐野和博
    • Organizer
      日本物理学会2021年秋季大会
    • Related Report
      2021 Research-status Report
  • [Presentation] 第一原理計算を用いたSrTiO3の電子状態と超伝導2021

    • Author(s)
      伊海田陸, 関川卓也, 大野義章, 佐野和博, 枡田佳美
    • Organizer
      日本物理学会2021年秋季大会
    • Related Report
      2021 Research-status Report
  • [Presentation] 第一原理計算に基づく単層1T’-WTe2の電子状態2021

    • Author(s)
      長谷川巧, 関川卓也, 中村康晴, 大野義章
    • Organizer
      日本物理学会2021年秋季大会
    • Related Report
      2021 Research-status Report
  • [Presentation] NV中心ダイヤモンドにおける電子配置とNV構造の関係2021

    • Author(s)
      松下和寛, 名和憲嗣, 佐野和博, 中村浩次
    • Organizer
      第82回応用物理学会秋季学術講演会
    • Related Report
      2021 Research-status Report
  • [Presentation] Machine learning for effective on-site Coulomb interaction parameters in transition metal oxides in DFT+U method2021

    • Author(s)
      T. Matsumoto, K. Nawa, K. Nakamura
    • Organizer
      Asian Physics Symposium 2021
    • Related Report
      2021 Research-status Report
    • Int'l Joint Research
  • [Presentation] 第一原理計算によるNaxWO3系の超伝導転移温度2021

    • Author(s)
      佐野和博, 関川卓也, 大野義章
    • Organizer
      日本物理学会第76回年次大会
    • Related Report
      2020 Research-status Report
  • [Presentation] 第一原理計算によるAl-Zn-Mg近似結晶の電子状態と輸送係数2020

    • Author(s)
      齋藤雅樹, 関川卓也, 大野義章
    • Organizer
      日本物理学会2020年秋季大会
    • Related Report
      2020 Research-status Report
  • [Presentation] 動的平均場理論によるハバード模型のスピン一重項と三重項の超伝導感受率2020

    • Author(s)
      猪熊祐輔, 山田武見, 大野義章
    • Organizer
      日本物理学会2020年秋季大会
    • Related Report
      2020 Research-status Report
  • [Presentation] Transverse Magneto-Optical Kerr Effect of FexCux Superlattices for Surface Plasmon Resonance Application: First Principle Study2020

    • Author(s)
      M. Arifin, K. Nakamura
    • Organizer
      第81回応用物理学会秋季学術講演会
    • Related Report
      2020 Research-status Report
  • [Presentation] First-principles study of angular dependent magnetoresistance in Co/5d metallic bilayers2020

    • Author(s)
      Y. Nagato, A.M. Pradipto, K. Nakamura
    • Organizer
      第81回応用物理学会秋季学術講演会
    • Related Report
      2020 Research-status Report
  • [Presentation] ソーダライト構造を持つ炭素化合物系の超伝導2019

    • Author(s)
      佐野和博, 伊藤大起, 枡田佳美
    • Organizer
      日本物理学会2019年秋季大会
    • Related Report
      2019 Research-status Report
  • [Presentation] ソーダライト構造結晶の超伝導転移温度2019

    • Author(s)
      伊藤大起, 桝田佳美, 南慶紀, 立松航, 小林優一, 佐野和博
    • Organizer
      日本物理学会2019年秋季大会
    • Related Report
      2019 Research-status Report
  • [Presentation] Electronic configuration and magnetism in organometallic molecules2019

    • Author(s)
      K. Nakamura, A.-M. Pradipto, T. Akiyama, T. Ito
    • Organizer
      International Congress on Pure and Applied Chemistry
    • Related Report
      2019 Research-status Report
    • Int'l Joint Research / Invited
  • [Presentation] First principles calculations of magnetocrystalline anisotropy of doped antiferromagnetic transition metal oxide2019

    • Author(s)
      K. Miyamae, A.-M. Pradipto, T. Akiyama, T. Ito, K. Nakamura
    • Organizer
      The 22nd Asian Workshop on First-Principles Electronic Structure Calculations
    • Related Report
      2019 Research-status Report
    • Int'l Joint Research
  • [Presentation] Ab initio calculated optical and magneto-optical properties of M/Fe (M=Cu, Ag, Au) superlattices2019

    • Author(s)
      M. Arifin, A.-M. Pradipto, T. Akiyama, T. Ito, K. Nakamura
    • Organizer
      第80回応用物理学会秋季学術講演会
    • Related Report
      2019 Research-status Report

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Published: 2019-04-18   Modified: 2024-01-30  

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