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

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

2001-12-09

arxiv.org/abs/cond-mat/0112147v2

Phys. Rev. B v. 66, 054103 (2002)

Physics

Condensed Matter

Strongly Correlated Electrons

12 pages, 2 figures, 4 tables, submitted to Phys. Rev. B

Scientific paper

10.1103/PhysRevB.66.054103

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-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 $\gamma$-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.

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