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Theoretical Study on Electron-Electron and Electron-phonon Interactions in Fullerene Compounds

Research Project

Project/Area Number 11165207
Research Category

Grant-in-Aid for Scientific Research on Priority Areas (A)

Allocation TypeSingle-year Grants
Research InstitutionUniversity of Tsukuba

Principal Investigator

NAKAO Kenji  Institute of Materials Science, University of Tsukuba, Professor, 物質工学系, 教授 (30011597)

Co-Investigator(Kenkyū-buntansha) OKADA Susumu  Institute of Materials Science, University of Tsukuba, Research Associate, 物質工学系, 助手 (70302388)
SUZUKI Shugo  Institute of Materials Science, University of Tsukuba, Asistant Professor, 物質工学系, 講師 (90241794)
Project Period (FY) 1999 – 2000
Project Status Completed (Fiscal Year 2001)
Budget Amount *help
¥10,700,000 (Direct Cost: ¥10,700,000)
Fiscal Year 2000: ¥3,000,000 (Direct Cost: ¥3,000,000)
Fiscal Year 1999: ¥7,700,000 (Direct Cost: ¥7,700,000)
Keywordsalkali-metal-doped C_<60> / superconductivity / dynamic Jahn-Teller effect / electron-electron interaction / electron-phonon interaction / 動的Jahn-Taller効果
Research Abstract

In alkali-metal-doped C_<60>, the electron-electron and electron-phonon interactions play very important roles. We have already found that the two interactions open the band gaps in A_2C_<60> and A_4C_<60> cooperatively and make these materials insulating. On the contrary, A_3C_<60>, which is a phase between A_2C_<60> and A_4C_<60>, remains metallic although the electron-electron and electron-phonon interactions should also be strong in this material. This has been unsolved so far. In the present study, we have studied the reason why A_3C_<60> remains metallic in spite of the strong electron-electron and electron-phonon interactions by using the same model that has been used for studying A_2C_<60> and A_4C_<60>. As a result, we have found that, in A_3C_<60>, the electron-electron and electron-phonon interactions compete with each other and, consequently, this material remains metallic. This competition results in the charge fluctuation. In paticular, we have found that the charge fluctuation is the origin of a shoulder observed in the photoemission spectra in A_3C_<60>. Furthermore, we have studied the present model by the quantum Monte Carlo method and found that the shoulder disappears at high temperature. This result is in good agreement with experimental temperature dependence of the photoemission spectra. The present results are very important for understanding low energy excitation in A_3C_<60>. Finally, we have studied the phase diagrams of A_xC_<60> (x=1,-,5) and found that there exist paramagnetic metal, superconductor, orbital-palarized metal, and spin- and orbital-polarized metal in A_1C_<60>, A_3C_<60>, and A_5C_<60> while there exist paramagnetic metal, superconductor, orbital-polarized insulator in A_2C_<60> and A_4C_<60>.

Report

(3 results)
  • 2001 Final Research Report Summary
  • 2000 Annual Research Report
  • 1999 Annual Research Report
  • Research Products

    (28 results)

All Other

All Publications (28 results)

  • [Publications] 鈴木修吾: "アルカリ金属ドープC_<60>における電子間相互作用と電子格子相互作用"固体物理. 36. 71-82 (2001)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] S.Suzuki: "Density Functional Study on Geometry and Electronic Structure of Eu@C_<60>"Chem.Phys.Lett.. 327. 291-298 (2000)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] T.Chida: "Charge Fluctuation in A_3C_<60>(A=K and Rb):Competition Between Electron-Electron and Electron-Phenon Interactions"J.Phys.Soc.Jpn.. 70. 317-320 (2001)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] S.Suzuki: "Theoretical Study on the Superconductivity Induced by the Dynamic Jahn-Teller Effect in Alkali-Metal-Doped C_<60>"J.Phys.Soc.Jpn.. 69. 2615-2622 (2000)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] N.Narita: "Electronic Structure of Three-Dimensional Graphyne"Phys.Rev.B. 62. 11146-11151 (2000)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] S.Suzuki: "Electron-Electron and Electron-Phonon Interactions in Alkali-Metal-Doped C_<60>"Kotai Butsuri (in Japanese). Vol.36. 71-82 (2001)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] S.Suzuki: "Density Functional Study on Geometry and Electronic Structure of Eu@C_<60>"Chem. Phys. Lett.. Vol.327. 291-298 (2000)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] T.Chida: "Charge Fluctuation in A_3C_<60> (A=K and Rb) : Competition Between Electron-Electron and Electron-Phonon Interactions"J. Phys. Soc. Jpn.. Vol.70. 317-320 (2001)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] S.Suzuki: "Theoretical Study on the Superconductivity Induced by the Dynamic John-Teller Effect in Alkali-Metal-Doped C_<60>"J. Phys. Soc. Jpn.. Vol.69. 2615-2622 (2000)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] N.Narita: "Electronic Structure of Three-Dimensional Graphyne"Phys. Rev. B. Vol.62. 11146-11151 (2000)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] S.Suzuki: "A Fully Relativistic Full-Potential LCAO Method for Solid"J. Phys. Soc. Jpn.. Vol.68. 1982-1987 (1999)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] S.Suzuki: "A Scalar Relativistic Full-Potential LCAO Method"J. Phys. Soc. Jpn.. Vol.69. 532-542 (2000)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] S.Suzuki: "The Electronic Structure of (DH_4)_3C_<60> and (ClO_4)_3C_<60>"Mol. Cryst. Liq. Cryst.. Vol.340. 587-592 (2000)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] S.Higai: "Theoretical Study on Structure and Electronic State of Sodium-Hydrogen-Graphite Ternary Intercalation Compound"Mol. Cryst. Liq. Cryst.. Vol.340. 149-154 (2000)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] S.Amamiya: "Fermi Surfaces of Electrons and Holes in C_8K : First-Principles Study"Mol. Cryst. Liq. Cryst.. Vol.340. 53-58 (2000)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] T.Chida: "Many-Body Effects on the Density of States in Alkali-Metal-Doped C_<60>"J. Phys. Soc. Jpn.. Vol.69. 532-542 (2000)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] S.Suzuki: "Theoretical Study on the Superconductivity Induced by the Dynamic Jahn-Teller Effect in Alkali-Metal-Doped C_<60>"J.Phys.Soc.Jpn.. Vol.69 No.8. 2615-2622 (2000)

    • Related Report
      2000 Annual Research Report
  • [Publications] S.Suzuki: "Density Functional Study on Geometry and Electronic Structure of Eu@C_<60>"Chem.Phys.Lett.. Vol.327. 291-298 (2000)

    • Related Report
      2000 Annual Research Report
  • [Publications] J.Hirosawa: "Spin-and Orbital-Polarized States in Alkali-Metal-Doped C_<60>"Synth.Met.. (2001)

    • Related Report
      2000 Annual Research Report
  • [Publications] S.Amamiya: "Relativistic Calculation on Electronic Stracture of La@C_<82> Molecule and Crystal"Synth.Met.. (2001)

    • Related Report
      2000 Annual Research Report
  • [Publications] T.Chida: "Charge Fluctuation in A_3C_<60>(A=K and Rb) : Competetion Between Electron-Electron and Electron-Phonon Interactions"J.Phys.Soc.Jpn.. Vol.70 No.2. (2001)

    • Related Report
      2000 Annual Research Report
  • [Publications] N.Narita: "Electronic Structure of Three-Dimensional Graphyne"Phys.Rev.B. Vol.62 No.16. 11146-11151 (2000)

    • Related Report
      2000 Annual Research Report
  • [Publications] S.Suzuki: "A Fully Relativistic Full-Potential LCAO Method for Solids"J.Phys.Soc.Jpn.. Vol.68 No.6. 1982-1987 (1999)

    • Related Report
      1999 Annual Research Report
  • [Publications] S.Suzuki: "A Scalar Relativistic Full-Potential LCAO Method"J.Phys.Soc.Jpn.. Vol.69 No.2. 532-542 (2000)

    • Related Report
      1999 Annual Research Report
  • [Publications] S.Suzuki: "The Electronic Structure of (PH_4)_3C_<60> and (ClO_4)_3C_<60>"Mol.Cryst.Lig.Cryst.. (2000)

    • Related Report
      1999 Annual Research Report
  • [Publications] S.Higai: "Theoretical Study on Structure and Electronic State of Sodium-Hydrogen-Graphite Ternary Intercalation Compound"Mol.Cryst.Lig.Cryst.. (2000)

    • Related Report
      1999 Annual Research Report
  • [Publications] S.Amamiya: "Fermi Surfaces of Electrons and Holes in C_8K:First-Principles Study"Mol.Cryst.Lig.Cryst.. (2000)

    • Related Report
      1999 Annual Research Report
  • [Publications] T.Chida: "Many-Body Effects on the Density of States in Alkali-Metal-Doped C_<60>"J.Phys.Soc.Jpn.. Vol.69 No.4. (2000)

    • Related Report
      1999 Annual Research Report

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Published: 1999-04-01   Modified: 2016-04-21  

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