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Research on one particle picture near the localized-delocalized transition in the strongly correlated f-electron system

Research Project

Project/Area Number 16540316
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeSingle-year Grants
Section一般
Research Field Condensed matter physics II
Research InstitutionKobe University

Principal Investigator

HARIMA Hisatomo  Kobe University, Faculty of Science, Professor, 理学部, 教授 (50211496)

Co-Investigator(Kenkyū-buntansha) HOTTA Takashi  Japan Atomic Energy Agency, Advanced Science Research Center, Principal Scientist, 先端基礎研究センター, 研究主幹 (00262163)
Project Period (FY) 2004 – 2005
Project Status Completed (Fiscal Year 2005)
Budget Amount *help
¥3,700,000 (Direct Cost: ¥3,700,000)
Fiscal Year 2005: ¥1,000,000 (Direct Cost: ¥1,000,000)
Fiscal Year 2004: ¥2,700,000 (Direct Cost: ¥2,700,000)
Keywordsf-electron system / LDA+U method / j-j coupling / LS coupling / spin-orbit interaction / crystalline electric field / meta-magnetic transition / NQR / 局在・非局在転移 / フェルミ面 / 数値繰り込み群法 / 価数転移 / 超伝導
Research Abstract

The program code for electronic structure calculations with an FLAPW and an LDA+U method has been developed for strongly correlated electron systems, to treat the magnetic states. Then electronic structures are obtained for CeRu_2Si_2 in the region of meta magnetic transition, and for CeIn_3 under pressures. It revels that the results strongly depend on the magnitude of U and the applied magnetic field, so such the dependence should be investigated more. Now the electric field gradients(EFG) can be obtained even by the LDA+U method. It has been revealed that the asymmetry parameters strongly depend on the configurations for multi f states even for the singlet state under a cubic symmetry. This indicates that the EFG, directly compared with NQR frequencies, obtains important information to determine the configuration of the multi f electrons. On the other hand, the effective model for the crystalline electric filed (CEF) for the j-j coupling scheme has been developed, to solve the problem that the multi f electron states split by the CEF potential in the j-j coupling model are not compatible, even qualitatively, with those obtained in the LS coupling scheme. As well known, the non-Kramers doublet cannot be obtained for f^2 state in the j-j coupling scheme, because of no 6^<th> order term appearing in j=5/2 space. We have proposed that the term in the order of 1/lambda must be included in the CEF calculations, where lambda is the strength of the spin-orbit interactions, and assumed to be infinite in the j-j coupling scheme. This means that the contributions from j=7/2 are taken into account in the j-j coupling scheme. Then it is shown the results in our effective j-j model quantitatively agree with those in the LS coupling scheme, even for the T_h symmetry in filled skutterydutes.

Report

(3 results)
  • 2005 Annual Research Report   Final Research Report Summary
  • 2004 Annual Research Report
  • Research Products

    (31 results)

All 2005 2004 Other

All Journal Article (31 results)

  • [Journal Article] Magnetic Fluctuations of Filled Skutterudites Emerging in the Transition Region between Singlet and Triplet Status2005

    • Author(s)
      T.Hotta
    • Journal Title

      Phys. Rev. Lett. 94

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2005 Final Research Report Summary
  • [Journal Article] Microscopic Approach to Magnetism and Superconductivity of f-Electron Systems with Filled Skutterudite Structure2005

    • Author(s)
      T.Hotta
    • Journal Title

      J. Phys. Soc. Jpn. 74

      Pages: 1275-1288

    • NAID

      110001979523

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2005 Final Research Report Summary
  • [Journal Article] Multipole Fluctuations in Filled Skutterudites2005

    • Author(s)
      T.Hotta
    • Journal Title

      J. Phys. Soc. Jpn. 74

      Pages: 2425-2429

    • NAID

      110002245723

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2005 Final Research Report Summary
  • [Journal Article] Multipole ordering in f-electron systems on the basis of a j・j coupling scheme2005

    • Author(s)
      K.Kubo, et al.
    • Journal Title

      Phys. Rev. B72

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2005 Final Research Report Summary
  • [Journal Article] Fermi surfaces of PrOs_4Sb_12 based on the LDA+U method2005

    • Author(s)
      H.Harima, et al.
    • Journal Title

      Physica B359-361

      Pages: 920-922

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2005 Final Research Report Summary
  • [Journal Article] Effect of Orbital Fluctuations on Magnetic Properties of f-electron Systems2005

    • Author(s)
      T.Hotta
    • Journal Title

      Physica B359-361

      Pages: 1003-1005

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2005 Final Research Report Summary
  • [Journal Article] Magnetic Fluctuations of Filled Skutterudites Emerging in the Transition Region between Singlet and Triplet States2005

    • Author(s)
      T.Hotta
    • Journal Title

      Phys.Rev.Lett. 94

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2005 Final Research Report Summary 2004 Annual Research Report
  • [Journal Article] Microscopic Approach to Magnetism and Superconductivity of f-Electron Systems with Filled Skutterudite Structure2005

    • Author(s)
      T.Hotta
    • Journal Title

      J.Phys.Soc.Jpn. 74

      Pages: 1275-1288

    • NAID

      110001979523

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2005 Final Research Report Summary
  • [Journal Article] Multipole Fluctuations in Filled Skutterudites2005

    • Author(s)
      T.Hotta
    • Journal Title

      J.Phys.Soc.Jpn. 74

      Pages: 2425-2429

    • NAID

      110002245723

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2005 Final Research Report Summary
  • [Journal Article] Multipole ordering in f-electron systems on the basis of a j-j coupling scheme2005

    • Author(s)
      K.Kubo, T.Hotta
    • Journal Title

      Phys.Rev., B 72

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2005 Final Research Report Summary
  • [Journal Article] Fermi surfaces of PrOs_4Sb_<12> based on the LDA+U method2005

    • Author(s)
      H.Harima, K.Takegahara
    • Journal Title

      Physica, B 359-361

      Pages: 920-922

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2005 Final Research Report Summary
  • [Journal Article] Effect of Orbital Fluctuations on Magnetic Properties of f-electron Systems2005

    • Author(s)
      T.Hotta
    • Journal Title

      Physica,B 359-361

      Pages: 1003-1005

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2005 Final Research Report Summary
  • [Journal Article] Microscopic Approach to Magnetism and Superconductivity of f-Electron Systems with Filled Skutterudite Structure2005

    • Author(s)
      Takashi Hotta
    • Journal Title

      J.Phys.Soc.Jpn. 74

      Pages: 1275-1288

    • NAID

      110001979523

    • Related Report
      2005 Annual Research Report
  • [Journal Article] Multipole Fluctuations in Filled Skutterudites2005

    • Author(s)
      Takashi Hotta
    • Journal Title

      J.Phys.Soc.Jpn. 74

      Pages: 2425-2429

    • NAID

      110002245723

    • Related Report
      2005 Annual Research Report
  • [Journal Article] Multipole ordering in f-electron on systems on the basis of a j-j coupling scheme2005

    • Author(s)
      K.Kubo, et al.
    • Journal Title

      Phys.Rev. B72

    • Related Report
      2005 Annual Research Report
  • [Journal Article] Single Crystal Growth and Fermi Surface Properties of ThIn_32005

    • Author(s)
      T.D.Matsuda, et al.
    • Journal Title

      J.Phys.Soc.Jpn. 74

      Pages: 3320-3328

    • Related Report
      2005 Annual Research Report
  • [Journal Article] Fermi surfaces of PrOs_4Sb_<12> based on the LDA+U method2005

    • Author(s)
      H.Harima, et al.
    • Journal Title

      Physica B359-361

      Pages: 1180-1182

    • Related Report
      2005 Annual Research Report
  • [Journal Article] Electronic structure and electric field gradient of RIn_3 and RTIn_5 (R=La and Ce, T=Co, Rh and Ir)2004

    • Author(s)
      K.Betsuyaku et al.
    • Journal Title

      J. Magn. Magn. Mater. 272-276

      Pages: 187-188

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2005 Final Research Report Summary
  • [Journal Article] Band structure calculation and Fermi surfaces for LaRh_3B_22004

    • Author(s)
      H.Harima et al.
    • Journal Title

      J. Magn. Magn. Mater. 272-276

      Pages: 475-476

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2005 Final Research Report Summary
  • [Journal Article] Spin and orbital structure of uranium compounds on the basis of a j・j coupling scheme2004

    • Author(s)
      T.Hotta
    • Journal Title

      Phys. Rev. B70

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2005 Final Research Report Summary
  • [Journal Article] Electronic structure and electric field gradient of RIn_3 and RTIn_5 (R=La and Ce,T=Co,Rh and Ir)2004

    • Author(s)
      K.Betsuyaku, H.Harima
    • Journal Title

      J.Magn.Magn.Mater. 272-276

      Pages: 187-188

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2005 Final Research Report Summary
  • [Journal Article] Band structure calculation and Fermi surfaces for LaRh_3B_22004

    • Author(s)
      H.Harima, K.Takegahara
    • Journal Title

      J.Magn.Magn.Mater. 272-276

      Pages: 475-476

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2005 Final Research Report Summary
  • [Journal Article] Spin and orbital structure of uranium compounds on the basis of a j-j coupling scheme2004

    • Author(s)
      T.Hotta
    • Journal Title

      Phys.Rev., B 70

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2005 Final Research Report Summary
  • [Journal Article] Band structure calculation and Fermi surfaces for LaRh_3B_22004

    • Author(s)
      H.Harima et al.
    • Journal Title

      J.Magn.Magn.Mater. 272-276

      Pages: 475-476

    • Related Report
      2004 Annual Research Report
  • [Journal Article] Electronic structure and electric field gradient of RIn_3 and RTIn_5 (R=La and Ce, T=Co, Rh and Ir)2004

    • Author(s)
      K.Betsuyaku et al.
    • Journal Title

      J.Magn.Magn.Mater. 272-276

      Pages: 187-188

    • Related Report
      2004 Annual Research Report
  • [Journal Article] EFG at Sb site of filled Skutterudites

    • Author(s)
      H.Harima
    • Journal Title

      Physica B(印刷中)

    • NAID

      120001433221

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2005 Final Research Report Summary
  • [Journal Article] Magnetic and orbital fluctuations in filled skutterudites

    • Author(s)
      T.Hotta
    • Journal Title

      Physica B(印刷中)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2005 Final Research Report Summary
  • [Journal Article] EFG at Sb site of filled skutterudites

    • Author(s)
      H.Harima
    • Journal Title

      Physica, B (In print)

    • NAID

      120001433221

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2005 Final Research Report Summary
  • [Journal Article] Magnetic and orbital fluctuations in filled skutterudites

    • Author(s)
      T.Hotta
    • Journal Title

      Physica, B (In print)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2005 Final Research Report Summary
  • [Journal Article] EFG at Sb site of filled Skutterudites

    • Author(s)
      H.Harima
    • Journal Title

      Physica B (印刷中)(未定)

    • NAID

      120001433221

    • Related Report
      2005 Annual Research Report
  • [Journal Article] Microscopic Approach to Magnetism and Superconductivity of f-Electron Systems with Filled Skutterudite Structure

    • Author(s)
      T.Hotta
    • Journal Title

      J.Phys.Soc.Jpn. (印刷中)(未定)

    • NAID

      110001979523

    • Related Report
      2004 Annual Research Report

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Published: 2004-04-01   Modified: 2020-05-15  

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