Quantum charge density fluctuations and the gamma-alpha phase transition in Ce

Citation
Av. Nikolaev et Kh. Michel, Quantum charge density fluctuations and the gamma-alpha phase transition in Ce, EUR PHY J B, 9(4), 1999, pp. 619-634
Citations number
95
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
EUROPEAN PHYSICAL JOURNAL B
ISSN journal
14346028 → ACNP
Volume
9
Issue
4
Year of publication
1999
Pages
619 - 634
Database
ISI
SICI code
1434-6028(199906)9:4<619:QCDFAT>2.0.ZU;2-9
Abstract
We have calculated the quantum quadrupolar interaction due to charge densit y fluctuations of localized 4f-electrons in gamma-Ce by taking into account the angular dependence, the degeneracy of the localized 4f-orbitals and th e spin-orbit coupling. The calculated crystal field of 4f electronic states is in good agreement with neutron diffraction measurements. We show that o rientational ordering of quantum quadrupoles drives a Fm (3) over bar m --> Pa (3) over bar phase transition at similar to 86 K which we assign with t he gamma-alpha transformation. In the Pa (3) over bar phase the centers of mass of the Ce atoms still form a face centered cubic lattice. The theory a ccounts for the first order character of the transition and for the cubic l attice contraction which accompanies the transition. The transition tempera ture increases linearly with pressure. Our approach does not involve Kondo spin fluctuations as the significant process for the phase transition.