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Electronic State and Many-body Effect in Transition and Typical Element Systems

Research Project

Project/Area Number 01540275
Research Category

Grant-in-Aid for General Scientific Research (C)

Allocation TypeSingle-year Grants
Research Field 固体物性
Research InstitutionFaculty of Science, Osaka University

Principal Investigator

KANAMORI Junjiro  Osaka Univ., Faculty of Science,, 理学部, 教授 (10028079)

Co-Investigator(Kenkyū-buntansha) AKAI Hisazumi  Nara Medical University, Associate professor, 助教授 (70124873)
KIKUCHI Macoto  Osaka Univ., Faculty of Science, Research associate, 理学部, 助手 (50195210)
IGARASHI Jun-ichi  Osaka Univ., Faculty of Science, Research associate, 理学部, 助手 (20127179)
Project Period (FY) 1989 – 1990
Project Status Completed (Fiscal Year 1990)
Budget Amount *help
¥1,900,000 (Direct Cost: ¥1,900,000)
Fiscal Year 1990: ¥700,000 (Direct Cost: ¥700,000)
Fiscal Year 1989: ¥1,200,000 (Direct Cost: ¥1,200,000)
KeywordsFerromagnetic alloys / Typical element / Molecular Dynamics / Ni compounds / Metal-insulator transition / High T_c superconductivity / Photolectron Spectroscopy / Many body effect
Research Abstract

1. Transition metal alloys containing typical elements
A possible mechanism of enhancing the ferromagmetism of iron by introducing typical element atoms at interstitial sites is proposed. A typical element atom will modify the local electronic structure of immediately neighboring Fe atoms to convert them into pseudo-Co atoms. Then the magnetic moments of more distant Fe atoms will be enhanced in the same way as in bcc Fe-Co alloys. The mechanism seems to be operating in Fe-N systems and R-Fe-B permanent magnets. In order to substantiate it, we are preparing a band structure calculation of a regular alloy of Fe-N. We plan also to investigate the mecnism underlying the formation of an amorphous state. To that purpose a general method based on KKR for the ab initio calculation of the electronic structure of a system in which constituent atoms can take any irregular positions is proposed.
2. Compounds of transition and typical elements
By use of an rigorous diagonalization of the Hamiltonian … More of a finite size cluster the electronic states of Cu and Ni compounds is investigated for the following four problems. a) Role of the apical oxygen high T_C Cu oxides The spin correlation between the apical oxygen and Cu turns out to be quite small. b) The superhyperfine interaction between La nuclei and M in La_2MO_4 (M=Cu and Ni) via apical oxygens. The calculation of the internal field at La site elucidates quan-titatively the mechanism. The importance of the electron correlation is demonstrated. c) The effect of the hole itinerancy on the photoemission spectra of high T_C Cu oxides. The itinerancy as well as the electron correlation is investigated by use of a large cluster. d) The metal-insulator transition in Ni compounds The change of the ground state by changing the charge transfer energy is investigated. The antiferromagnetic insulating phase with well developed magnetic moments seems to make a transition into intermediate state with moderately large magnetic moments with small inter-atomic coupling. Less

Report

(3 results)
  • 1990 Annual Research Report   Final Research Report Summary
  • 1989 Annual Research Report
  • Research Products

    (16 results)

All Other

All Publications (16 results)

  • [Publications] M.Takahashi,T.Nishino and J,kanamori: "Internal Magnetic Field at the La Atom in La_2Mo_4(M=Cu,Ni)" Journal of the Physical Society of Japan to be published. 60. (1991)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1990 Final Research Report Summary
  • [Publications] J.Kanamori: "Interplay between Electronic Structure and Correlation through the sーd Mixing in Transition Metal Systems" Progress of Theoretical Physics,Supplement. 101. 1-10 (1990)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1990 Final Research Report Summary
  • [Publications] H.Akai,B.Drittler and P.H.Dederichs: "Full Potential KKR: Applicability to simulated Annealing Model" Moleculer Dynamics Simulation,Springer,Berlin to be published.(1991)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1990 Final Research Report Summary
  • [Publications] T.Nishino: "Effect of Hole Itinerancy on XAS and XPS Spectra of the HighーTc Compounds" Journal of the Physical Society of Japan. 59. 4376-4383 (1990)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1990 Final Research Report Summary
  • [Publications] M. Takahashi, T. Nishino and Kanamori: "Internal Magnetic Field at the La Atom in La_2Mo_4 (M=CU, Ni)" Journal of the physical Society of Japan. Vol. 60, No. 4. 1363-1369 (1991)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1990 Final Research Report Summary
  • [Publications] J. Kanamori: "Interplay between Electronic Structure and Correlation through the s-d Mixing in Transition Metal Systems" Progress of Theoretical Physics. Supplement, No. 101. 1-10 (1990)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1990 Final Research Report Summary
  • [Publications] H. Akai, B. Drittler and P. H. Dederichs: "Full Potential KKR : Applicability to simulated Annealing Model" Molecular Dynamics Simulation. Springer Berlin. (1991)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1990 Final Research Report Summary
  • [Publications] T. Nishino: "Effect of Hole Itinerancy on XAS and XPS Spectra of the High-Tc Compounds" Journal of the Physical Society of Japan. Vol. 59, No. 12. 4376-4383 (1990)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1990 Final Research Report Summary
  • [Publications] M.Takahashi,T.Nishino and J,kanamori: "Internal Magnetic Field at the La Atom in La_2Mo_4(M=Cu,Ni)" Journal of the Physical Society of Japan. 60. (1991)

    • Related Report
      1990 Annual Research Report
  • [Publications] J.Kanamori: "Interplay between Electronic Struture and Correlation through the sーd Mixing in Transition Metal Systems" Progress of Theoretical Physics. 101,Supplement. 1-10 (1990)

    • Related Report
      1990 Annual Research Report
  • [Publications] H.Akai,B.Drittler and P.H.Dederichs: "Full Potential KKR:Applicability to simulated Annealing Model" Moleculer Dynamics Simulation,Springer,Berlin. (1991)

    • Related Report
      1990 Annual Research Report
  • [Publications] T.Nishino: "Effect of Hole Itinerancy on XAS and XPS Spectra of the HighーTc Compounds" Journal of the Physical Society of Japan. 59. 4376-4383 (1990)

    • Related Report
      1990 Annual Research Report
  • [Publications] J.Kanamori: "Fe Mengetic Moments and the Role of B in RーFeーB Permanents Magnets" Proc.of 10th Intl.Workshop on RareーEarth Magnets and Their Applications,Soc.NonーTranditional Technology. 1-10 (1989)

    • Related Report
      1989 Annual Research Report
  • [Publications] J.Kanamori and H.Akai: "Bulk and Defect Electronic Structure of Magnetic Alloys" Materials Science Foram. 37. 1-24 (1989)

    • Related Report
      1989 Annual Research Report
  • [Publications] T.Nishino and J.Kanamori: "Electronic Structure of CuーO_3 Pyramidal PlaneーEffect of Hole Itinerancyー" Journal of the Physical Society of Japan. 59. 253-258 (1990)

    • Related Report
      1989 Annual Research Report
  • [Publications] H.Akai,P.H.Dederichs and J.Kanamori: "Magnetic Properties of Niーand CoーAlloys Calculated by KKRーCPAーLSD Method" Journal de Physique. C8. 23-24 (1989)

    • Related Report
      1989 Annual Research Report

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Published: 1989-04-01   Modified: 2016-04-21  

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