Abstract
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.
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ω is twice the energy difference between empty and filled bands.
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© 1981 Springer Science+Business Media New York
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López-Aguillar, F., Costa-Quintana, J., Muñoz, J.S. (1981). Occupation Potential Versus Coulomb Correlation Energy in 4-f Insulators. In: Devreese, J.T., Lemmens, L.F., van Doren, V.E., van Royen, J. (eds) Recent Developments in Condensed Matter Physics. Springer, Boston, MA. https://doi.org/10.1007/978-1-4684-3902-1_38
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DOI: https://doi.org/10.1007/978-1-4684-3902-1_38
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