Occupation Potential Versus Coulomb Correlation Energy in 4-f Insulators

  • F. López-Aguillar
  • J. Costa-Quintana
  • J. S. Muñoz


Hufner and Werteim’s estimate the correlation energy between 4fn and 4fn+l configurations by photoemission experiments to be of the order of 6 eV while others give a value of ~10.5 eV. We have established a method based on the energy differences per unit cell with two configurations as a Coulomb correlation, from the band structure and an estimation of the collective effects by perturbative methods which by introducing the U correlation in the MT potential allows us to find the excited states showing some hybridation and deslocalization and a widening of 4f bands. This broadening could explain the discrepancy observed in the above experimental results.


Band Structure Energy Difference Physical Review Correlation Energy Collective Effect 
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Copyright information

© Springer Science+Business Media New York 1981

Authors and Affiliations

  • F. López-Aguillar
    • 1
  • J. Costa-Quintana
    • 1
  • J. S. Muñoz
    • 1
  1. 1.Departamento de Electricidad y ElectrónicaUniversidad Autónoma de BarcelonaBellaterra - BarcelonaSpain

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