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Intra- site 4f-5d electronic correlations in the quadrupolar model of the gamma-alpha phase transition in Ce

A. V. Nikolaev·K. H. Michel
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Abstract

As a possible mechanism of the $γ-α$ phase transition in pristine cerium a change of the electronic density from a disordered state with symmetry Fm-3m to an ordered state Pa-3 has been proposed. Here we include on-site and inter- site electron correlations involving one localized 4f-electron and one conduction 5d-electron per atom. The model is used to calculate the crystal field of $γ$-Ce and the temperature evolution of the mean-field of $α$-Ce. The formalism can be applied to crystals where quadrupolar ordering involves several electrons on the same site.

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A. V. Nikolaev, K. H. Michel. 2002-04-01. Intra- site 4f-5d electronic correlations in the quadrupolar model of the gamma-alpha phase transition in Ce. https://doi.org/10.1103/physrevb.66.054103

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