Bulletin of Materials Science

, Volume 14, Issue 4, pp 989–992 | Cite as

Investigation of the many-particle spectrum of superconductor YBa2Cu3O7

  • G A R Lima
  • A Fazzio
  • R Mota
International Conference On Superconductivity—III


We investigate the electronic structure of superconductor YBa2Cu3O7 through a molecular cluster approach. The calculations are performed self-consistently through a semi-empirical LCAO technique, and correlation effects are taken into account by a configuration interaction procedure (INDO-CI). Our results for the larger clusters yield a density of states (in the valence band) that is in good agreement with the experimental data. We obtain for the ground-state a strongp-d covalency, resulting in a width of around 8 eV for the valence band. The interactions of Cu(1) and (2) with O(1),(2),(3) and (4) are analysed, showing how hybridization occurs. In all cases we calculate the Mott-Hubbard energy U taking into account many-body effects.


Many particle spectrum electronic structure molecular cluster approach 


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  1. Bacon A D and Zerner M C 1978Theor. Chim. Acta 53 21CrossRefGoogle Scholar
  2. Chen H, Callawoy J and Misra P K 1988Phys. Rev. B38 195Google Scholar
  3. Emery V J 1987Phys. Rev. Lett. 58, 26, 2794CrossRefGoogle Scholar
  4. Horn S, Cau J, Shaheen S A, Jeon Y, Croff M, Chang C L and den Boer M L 1987Phys. Rev. B36 3895Google Scholar
  5. Pickett W E 1989Rev. Mod. Phys. 61 2, 433Google Scholar
  6. Stechel E B and Jennison D R 1988Phys. Rev. B38 4632Google Scholar
  7. Wu M K, Ashbunz J R, Torny C J, Hor P H, Meng R L, Gao L, Huang Z J, Wang Y Q and Chu C W 1987Phys. Rev. Lett. 58 908CrossRefGoogle Scholar

Copyright information

© Indian Academy of Sciences 1991

Authors and Affiliations

  • G A R Lima
    • 1
  • A Fazzio
    • 1
  • R Mota
    • 1
    • 2
  1. 1.Instituto de Fisica da Universidade de São PauloSão Paulo, SPBrazil
  2. 2.Departamento de Fisica-UFSMSanta Maria, RSBrazil

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