Intrasite 4f-5d electronic correlations in the quadrupolar model of the γ-α phase transition in Ce -: art. no. 054103

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