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Variational treatment of electronic correlations ind-band metals

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Zeitschrift für Physik B Condensed Matter

Abstract

We discuss the effects of electronic correlation on the ground state energy, effective local moment and charge fluctuations for a model of transition metals. The model consists of a bcc or fcc-canonicald-band with intraatomic Coulomb and exchange interaction. We find that for realistic interaction parameters the correlated state shows enhanced spinfluctuations indicating the formation of local moments and strongly reduced charge fluctuations compared to the HF state. We also find that in generale g andt 2g -states can show a different extent of correlation which suggests the use of anisotropic exchange correlation potentials in transition metals. The application of our model to bcc iron and fcc nickel is also considered.

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Authors and Affiliations

  1. Max-Planck-Institut für Festkörperforschung, Heisenbergstrasse 1, D-7000, Stuttgart, Federal Republic of Germany

    G. Stollhoff & P. Thalmeier

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  1. G. Stollhoff
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  2. P. Thalmeier
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Stollhoff, G., Thalmeier, P. Variational treatment of electronic correlations ind-band metals. Z. Physik B - Condensed Matter 43, 13–21 (1981). https://doi.org/10.1007/BF01295470

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  • DOI: https://doi.org/10.1007/BF01295470

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