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First-Principles Calculation of the Superconducting TransitionTemperature with determining the Coulomb Pseudopotential

Research Project

Project/Area Number 21540353
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeSingle-year Grants
Section一般
Research Field Condensed matter physics II
Research InstitutionThe University of Tokyo

Principal Investigator

TAKADA Yasutami  東京大学, 物性研究所, 教授 (00126103)

Project Period (FY) 2009 – 2012
Project Status Completed (Fiscal Year 2012)
Budget Amount *help
¥4,420,000 (Direct Cost: ¥3,400,000、Indirect Cost: ¥1,020,000)
Fiscal Year 2012: ¥910,000 (Direct Cost: ¥700,000、Indirect Cost: ¥210,000)
Fiscal Year 2011: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
Fiscal Year 2010: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
Fiscal Year 2009: ¥2,210,000 (Direct Cost: ¥1,700,000、Indirect Cost: ¥510,000)
Keywords物性理論 / 超伝導 / 第一原理計算 / 擬クーロンポテンシャル / 転移温度 / 計算物理 / 強相関電子系 / ヤーン・テラー系 / グラファイト層間化合物
Research Abstract

By considering the correspondence between the Green’s-function approach and the density-functional theory for superconductors (SCDFT), we have constructed a new functional form for the pairing potential appearing in the gap equation in the SCDFT, which enables us to calculate the superconducting transition temperature T_ from first principles with the determination of the Coulomb pseudopotential. We have applied this framework to the graphite intercalation compounds (GICs) and clarified the microscopic mechanism of superconductivity in GICs. We have also made a theoretical search for a path to synthesize GICs with higher T_, as well as to obtain high-temperature superconductors for which we conclude that strong phonon-mediated interactions with almost cancelling strong electron-electron repulsions are needed.

Report

(5 results)
  • 2012 Annual Research Report   Final Research Report ( PDF )
  • 2011 Annual Research Report
  • 2010 Annual Research Report
  • 2009 Annual Research Report
  • Research Products

    (52 results)

All 2012 2011 2010 2009 Other

All Journal Article (14 results) (of which Peer Reviewed: 14 results) Presentation (28 results) (of which Invited: 5 results) Book (6 results) Remarks (4 results)

  • [Journal Article] Superconductivity in a Correlated E〓e Jahn-Teller System2012

    • Author(s)
      C. Hori, H. Maebashi, and Y. Takada
    • Journal Title

      Journal ofSuperconductivity and Novel Magnetism

      Volume: 25巻 Issue: 5 Pages: 1369-1373

    • DOI

      10.1007/s10948-012-1518-0

    • Related Report
      2012 Annual Research Report 2012 Final Research Report 2011 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Importance ofcounter-rotating coupling in the superfluid-to-Mott-insulator quantum phase transition of light in theJaynes-Cummings lattice2011

    • Author(s)
      H. Zheng and Y. Takada
    • Journal Title

      PhysicalReview A

      Volume: 84巻 Issue: 4

    • DOI

      10.1103/physreva.84.043819

    • Related Report
      2012 Final Research Report 2011 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Analysisof exact vertex function for improving on the GWΓ scheme for first-principles calculation of electron self-energy2011

    • Author(s)
      H. Maebashi and Y. Takada
    • Journal Title

      Physical Review B

      Volume: 84巻 Issue: 24

    • DOI

      10.1103/physrevb.84.245134

    • Related Report
      2012 Final Research Report 2011 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Theory of superconductivityin graphite intercalation compounds2011

    • Author(s)
      Y. Takada
    • Journal Title

      Comprehensive Semiconductor Science and Technology

      Volume: 1巻 Pages: 410-426

    • Related Report
      2012 Final Research Report
    • Peer Reviewed
  • [Journal Article] Theory of superconductivity in graphite intercalation compounds2011

    • Author(s)
      Y.Takada
    • Journal Title

      Comprehensive Semiconductor Science and Technology

      Volume: 1 Pages: 410-426

    • Related Report
      2010 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Inclusionof vertex corrections for super-conductivity in gauge-invariant self-consistent approximations2010

    • Author(s)
      H. Maebashi and Y. Takada
    • Journal Title

      PhysicaC: Superconductivity

      Volume: 470巻 Pages: S975-S977

    • DOI

      10.1016/j.physc.2009.10.153

    • Related Report
      2012 Final Research Report
    • Peer Reviewed
  • [Journal Article] Inclusion of vertex corrections for superconductivity in gauge-invariant self-consistent approximations2010

    • Author(s)
      H.Maebashi, Y.Takada
    • Journal Title

      Physica C : Superconductivity

      Volume: 470

    • Related Report
      2010 Annual Research Report
    • Peer Reviewed
  • [Journal Article] New General Scheme for Improving Accuracy in Implementing Self-Consistent Iterative Calculations: Illustration in the STLS Theory2009

    • Author(s)
      K. Yoshizawa and Y. Takada
    • Journal Title

      Journal of Physics: Condensed Matter

      Volume: 21巻 Issue: 6 Pages: 064204-064204

    • DOI

      10.1088/0953-8984/21/6/064204

    • Related Report
      2012 Final Research Report
    • Peer Reviewed
  • [Journal Article] Towards first-principles understanding of the metal-insulator transition in fluid alkali metals2009

    • Author(s)
      H. Maebashi and Y. Takada
    • Journal Title

      Journal of Physics:Condensed Matter

      Volume: 21巻 Issue: 6 Pages: 064205-064205

    • DOI

      10.1088/0953-8984/21/6/064205

    • Related Report
      2012 Final Research Report
    • Peer Reviewed
  • [Journal Article] First-Principles Understanding of the Anomalous Structural Change in an Expanded Liquid Alkali Metal2009

    • Author(s)
      H. Maebashi and Y. Takada
    • Journal Title

      Journal of the Physical Society of Japan

      Volume: 78 Issue: 5 Pages: 053706-053706

    • DOI

      10.1143/jpsj.78.053706

    • NAID

      130005437461

    • ISSN
      0031-9015, 1347-4073
    • Related Report
      2012 Final Research Report
    • Peer Reviewed
  • [Journal Article] Mechanism of Super-conductivity in Graphite Intercalation Compounds Including CaC62009

    • Author(s)
      Y. Takada
    • Journal Title

      Journal of Superconductivity and Novel Magnetism

      Volume: 22巻 Issue: 1 Pages: 89-92

    • DOI

      10.1007/s10948-008-0355-7

    • Related Report
      2012 Final Research Report
    • Peer Reviewed
  • [Journal Article] First-Principles Understanding of the Anomalous Structural Change in an Expanded Liquid Alkali Metal2009

    • Author(s)
      H.Maebashi, Y.Takada
    • Journal Title

      Journal of the Physical Society of Japan 78

    • NAID

      10025960154

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Mechanism of Superconductivity in Graphite Intercalation Compounds Including CaC_62009

    • Author(s)
      Y.Takada
    • Journal Title

      Journal of Superconductivity and Novel Magnetism 22

      Pages: 89-92

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Journal Article] New General Scheme for Improving Accuracy in Implementing Self-Consistent Iterative Calculations : Illustration in the STLS Theory2009

    • Author(s)
      K.Yoshizawa, Y.Takada
    • Journal Title

      Journal of Physics : Condensed Matter 21

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Presentation] 第一原理からの多体問題:超伝導、近藤問題、励起子誘導不安定性、・・・2012

    • Author(s)
      高田康民
    • Organizer
      第6回物性科学領域横断研究会「凝縮系科学の最前線」
    • Place of Presentation
      東京大学武田ホール、東京都文京区
    • Year and Date
      2012-11-28
    • Related Report
      2012 Final Research Report
  • [Presentation] On the First-Principles Determination of the Superconducting Transition Temperature2012

    • Author(s)
      Y. Takada
    • Organizer
      Japan-France Joint Seminar 2012 on Physics and Control of Clustering Solids
    • Place of Presentation
      淡路夢舞台、兵庫県淡路市
    • Year and Date
      2012-11-06
    • Related Report
      2012 Final Research Report
  • [Presentation] Nonperturbative Self-Consistent Calculation of the Self- Energy: Electron-Hole Asymmetric Excitations and Possibility of a Self-Induced Excitonic State in Low-Density Electron Liquids2012

    • Author(s)
      Y. Takada
    • Organizer
      Superstripes 2012 Quantum Phenomena in Complex Matter
    • Place of Presentation
      Erice, Italy
    • Year and Date
      2012-07-12
    • Related Report
      2012 Final Research Report
  • [Presentation] Theory for Reliable First-Principles Prediction of the Super- conducting Transition Temperature2012

    • Author(s)
      Y. Takada
    • Organizer
      MASP
    • Place of Presentation
      東京大学物性研究所、柏市
    • Year and Date
      2012-06-28
    • Related Report
      2012 Final Research Report
  • [Presentation] Many-Body Nonperturbative Approach to the Electron Self-Energy2012

    • Author(s)
      Y. Takada
    • Organizer
      MASP
    • Place of Presentation
      東京大学物性研究所、柏市
    • Year and Date
      2012-06-25
    • Related Report
      2012 Final Research Report
  • [Presentation] GWΓ法の開発と低密度電子液体への応用:電子正孔非対称励起のフェルミ流体2012

    • Author(s)
      高田康民
    • Organizer
      物性研究所短期研究会「計算科学の課題と展望」
    • Place of Presentation
      東京大学物性研究所、柏市
    • Year and Date
      2012-02-21
    • Related Report
      2012 Final Research Report
  • [Presentation] GWΓ法の開発と低密度電子液体への応用:電子正孔非対称励起のフェルミ流体2012

    • Author(s)
      高田康民
    • Organizer
      物性研究所短期研究会「計算科学の課題と展望」
    • Place of Presentation
      東京大学物性研究所(招待講演)
    • Year and Date
      2012-02-21
    • Related Report
      2011 Annual Research Report
  • [Presentation] 第一原理系励起状態の多体論と高転移温度超伝導物質デザイン2011

    • Author(s)
      高田康民
    • Organizer
      新学術領域研究「物質デザイン」成果報告研究会
    • Place of Presentation
      東京大学工学部、東京都文京区
    • Year and Date
      2011-10-08
    • Related Report
      2012 Final Research Report
  • [Presentation] 第一原理系励起状態の多体論と高転移温度超伝導物質デザイン2011

    • Author(s)
      高田康民
    • Organizer
      新学術領域研究「物質デザイン」成果報告研究会
    • Place of Presentation
      東京大学工学部
    • Year and Date
      2011-10-08
    • Related Report
      2011 Annual Research Report
  • [Presentation] Superconductivity in a Correlated E〓e Jahn-Teller System2011

    • Author(s)
      Y. Takada
    • Organizer
      Superstripes 2011 Quantum Phenomena in Complex Matter
    • Place of Presentation
      Rome、 Italy
    • Year and Date
      2011-07-15
    • Related Report
      2012 Final Research Report
  • [Presentation] Superconductivity in a Correlated E[○!×]e Jahn-Teller System2011

    • Author(s)
      Y.Takada
    • Organizer
      Quantum Phenomena in Complex Matter : Superstripes 2011
    • Place of Presentation
      ローマ大学(Rome, Italy)(招待講演)
    • Year and Date
      2011-07-15
    • Related Report
      2011 Annual Research Report
  • [Presentation] 第一原理からの多体問題:我々の視点2011

    • Author(s)
      高田康民
    • Organizer
      新学術領域研究「物質デザイン」成果報告研究会
    • Place of Presentation
      東京大学工学部、東京都文京区
    • Year and Date
      2011-03-04
    • Related Report
      2012 Final Research Report
  • [Presentation] 第一原理からの多体問題:我々の視点2011

    • Author(s)
      高田康民
    • Organizer
      新学術領域研究「物質デザイン」成果報告研究会
    • Place of Presentation
      東京大学工学部
    • Year and Date
      2011-03-04
    • Related Report
      2010 Annual Research Report
  • [Presentation] 超伝導転移温度の第一原理計算への挑戦と課題2010

    • Author(s)
      高田康民
    • Organizer
      新学術領域研究「物質デザイン」研究会
    • Place of Presentation
      東京大学工学部、東京都文京区
    • Year and Date
      2010-11-16
    • Related Report
      2012 Final Research Report
  • [Presentation] 超伝導転移温度の第一原理計算への挑戦と課題2010

    • Author(s)
      高田康民
    • Organizer
      新学術領域研究「物質デザイン」高田班今田班合同研究会
    • Place of Presentation
      東京大学工学部
    • Year and Date
      2010-11-16
    • Related Report
      2010 Annual Research Report
  • [Presentation] Theory for reliable first- principles prediction of the super- conducting Tc2010

    • Author(s)
      Y. Takada
    • Organizer
      13th Asian Workshop on First-Principles Electronic Structure Calculations
    • Place of Presentation
      Pohang、Korea
    • Year and Date
      2010-11-01
    • Related Report
      2012 Final Research Report
  • [Presentation] Theory for reliable first-principles prediction of the superconducting Tc2010

    • Author(s)
      Y.Takada
    • Organizer
      13th Asian Workshop on First-Principles Electronic Structure Calculations
    • Place of Presentation
      Pohang, Korea 招待講演
    • Year and Date
      2010-11-01
    • Related Report
      2010 Annual Research Report
  • [Presentation] 第一原理系励起状態の多体論と高転移温度超伝導物質デザイン2010

    • Author(s)
      高田康民
    • Organizer
      新学術領域研究「物質デザイン」キックオフ・ミーティング
    • Place of Presentation
      東京大学工学部、東京都文京区
    • Year and Date
      2010-09-18
    • Related Report
      2012 Final Research Report
  • [Presentation] 第一原理系励起状態の多体論と高転移温度超伝導物質デザイン2010

    • Author(s)
      高田康民
    • Organizer
      新学術領域研究「物質デザイン」キックオフ・ミーティング
    • Place of Presentation
      東京大学工学部
    • Year and Date
      2010-09-18
    • Related Report
      2010 Annual Research Report
  • [Presentation] On the first-principles determination of Tc2010

    • Author(s)
      Y. Takada
    • Organizer
      Superstripes 2010 Quantum Phenomena in Complex Matter
    • Place of Presentation
      Erice、Italy
    • Year and Date
      2010-07-23
    • Related Report
      2012 Final Research Report
  • [Presentation] On the first-principles determination of Tc2010

    • Author(s)
      Y.Takada
    • Organizer
      Superstripes 2010 Quantum Phenomena in Complex Matter
    • Place of Presentation
      Erice, Italy 招待講演
    • Year and Date
      2010-07-23
    • Related Report
      2010 Annual Research Report
  • [Presentation] グラファイト層間化合物の超伝導理論2009

    • Author(s)
      高田康民
    • Organizer
      日本物理学会2009年秋季大会シンポジウム招待講演
    • Place of Presentation
      熊本大学黒髪キャンパス、熊本市
    • Year and Date
      2009-09-26
    • Related Report
      2012 Final Research Report
  • [Presentation] グラファイト層間化合物の超伝導理論(シンポジウム招待講演)2009

    • Author(s)
      高田康民
    • Organizer
      日本物理学会2009年秋季大会
    • Place of Presentation
      熊本大学黒髪キャンパス
    • Year and Date
      2009-09-26
    • Related Report
      2009 Annual Research Report
  • [Presentation] Many-Body Nonperturbative Approach to the Electron Self-Energy

    • Author(s)
      Yasutami Takada
    • Organizer
      MASP2012
    • Place of Presentation
      物性研、柏市
    • Related Report
      2012 Annual Research Report
    • Invited
  • [Presentation] Theory for Reliable First-Principles Prediction of the Superconducting Transition Temperature

    • Author(s)
      Yasutami Takada
    • Organizer
      MASP2012
    • Place of Presentation
      物性研、柏市
    • Related Report
      2012 Annual Research Report
    • Invited
  • [Presentation] Nonperturbative Self-Consistent Calculation of the Self-Energy: Electron-Hole Asymmetric Excitations and Possibility of a Self-Induced Excitonic State in Low-Density Electron Liquids

    • Author(s)
      Yasutami Takada
    • Organizer
      Superstripes 2012 Quantum Phenomena in Complex Matter
    • Place of Presentation
      Erice, Italy
    • Related Report
      2012 Annual Research Report
    • Invited
  • [Presentation] On the First-Principles Determination of the Superconducting Transition Temperature

    • Author(s)
      Yasutami Takada
    • Organizer
      Japan-France Joint Seminar 2012 on Physics and Control of Clustering Solids
    • Place of Presentation
      淡路島、兵庫県
    • Related Report
      2012 Annual Research Report
    • Invited
  • [Presentation] 第一原理からの多体問題:超伝導、近藤問題、励起子誘導不安定性、・・・

    • Author(s)
      高田康民
    • Organizer
      第6回物性科学領域横断研究会「凝縮系科学の最前線」
    • Place of Presentation
      東大武田ホール、東京
    • Related Report
      2012 Annual Research Report
    • Invited
  • [Book] 岩波講座:計算科学 第2巻「計算と物質」第8章2012

    • Author(s)
      高田康民
    • Publisher
      岩波書店
    • Related Report
      2012 Final Research Report
  • [Book] 岩波講座:計算科学第2巻「計算と物質」第8章2012

    • Author(s)
      高田康民
    • Publisher
      岩波書店
    • Related Report
      2012 Annual Research Report
  • [Book] 「密度汎関数理論の発展とマ テリアルデザインへの応用」(赤井久純、 白井光雲編)2.4.1 節「相補的研究として の多体論-多体摂動論」2011

    • Author(s)
      高田康民
    • Publisher
      シュプリンガージャパン(後に丸善に移行)
    • Related Report
      2012 Final Research Report
  • [Book] Carbon-based New Superconductors ; Toward high-Tc superconductivity (Editor : J.Haruyama)2011

    • Author(s)
      Y.Takada
    • Total Pages
      300
    • Publisher
      Pan Stanford Publishing Pte. Ltd.(印刷中)
    • Related Report
      2010 Annual Research Report
  • [Book] 密度汎関数理論の発展とマテリアルデザインへの応用(赤井久純、白井光雲編)2.4.1節「相補的研究としての多体論-多体摂動論」2011

    • Author(s)
      高田康民
    • Total Pages
      59
    • Publisher
      シュプリンガージャパン(印刷中)
    • Related Report
      2010 Annual Research Report
  • [Book] 多体問題特論(朝倉物理学大系第15巻)2009

    • Author(s)
      高田康民
    • Total Pages
      399
    • Publisher
      朝倉書店
    • Related Report
      2012 Final Research Report 2009 Annual Research Report
  • [Remarks]

    • URL

      http://takada.issp.u-tokyo.ac.jp/

    • Related Report
      2012 Final Research Report
  • [Remarks]

    • URL

      http://takada.issp.u-tokyo.ac.jp/

    • Related Report
      2011 Annual Research Report
  • [Remarks]

    • URL

      http://takada.issp.u-tokyo.ac.jp/

    • Related Report
      2010 Annual Research Report
  • [Remarks]

    • URL

      http://takada.issp.u-tokyo.ac.jp/

    • Related Report
      2009 Annual Research Report

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Published: 2009-04-01   Modified: 2020-05-15  

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