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Self‐Consistent Calculations in the Theory of Mix‐Valence
Author(s) -
Prabhu R. B.,
Tangsali R. B.
Publication year - 1988
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2221490225
Subject(s) - valence (chemistry) , condensed matter physics , seebeck coefficient , perturbation theory (quantum mechanics) , physics , anderson impurity model , electron , scattering , electrical resistivity and conductivity , amplitude , quantum mechanics , atomic physics , chemistry
Self‐consistent perturbation theory is employed for the calculation of physical quantities in mixed valence systems. A single impurity U → ∞ Anderson model is considered with and without crystalline field splitting. The main feature of this method is that excitonic and other correlations are included self‐consistently in the theory. In the case of crystalline or magnetic fields coupled non‐linear integral equations are obtained for conduction electron scattering amplitudes. These are solved iteratively by retaining the second order terms in the mixing term in the f‐electron Green function. Thus temperature dependent level shift and width for the f electron are obtained. Calculated are n f , the f level occupancy, the resistivity and thermopower both as functions of temperature, and \documentclass{article}\pagestyle{empty}\begin{document}$ \overline E _{\rm f} $\end{document} the f level position relative to the Fermi level.