II.2 Cuprate and other unconventional superconductors

FIRST PRINCIPAL CALCULATIONS OF EFFECTIVE EXCHANGE INTEGRALS FOR COPPER OXIDES AND ISOELECTRONIC SPECIES
  • K. Yamaguchi
  • Y. Kitagawa
  • S. Yamanaka
  • D. Yamaki
  • T. Kawakami
  • M. Okumura
  • H. Nagao
  • S. P. Kruchinin
Conference paper
Part of the NATO Science Series book series (NAII, volume 241)

Abstract

theoretical efforts for strongly correlated electron systems such as transition metal oxides have been reviewed in relation to electonic structures of these species. The effective exchange integrals (J) of several transition-metal oxides have been calculated by hybrid DFT methods. The ab initio results for the species are also mapped to the N-band Hubbard model.

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Copyright information

© Springer 2007

Authors and Affiliations

  • K. Yamaguchi
    • 1
  • Y. Kitagawa
    • 1
  • S. Yamanaka
    • 1
  • D. Yamaki
    • 1
  • T. Kawakami
    • 1
  • M. Okumura
    • 1
  • H. Nagao
    • 2
  • S. P. Kruchinin
    • 3
  1. 1.Department of Chemistry, Graduate School of ScienceOsaka UniversityToyonakaJapan
  2. 2.Department of Computational Science, Faculty of ScienceKanazawa UniversityIshikawaJapan
  3. 3.Bogolyubov Institute for Theoretical PhysicsThe Ukranian National Academy of ScienceKievUkraine

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