α-γtransition in cerium: Magnetic form factor and dynamic magnetic susceptibility in dynamical mean-field theory

Abstract

The nature of the elemental cerium phases, undergoing an isostructural volume collapse transition, cannot be understood using conventional solid state concepts. Using the combination of density functional theory and dynamical mean-field theory, we study the magnetic properties of both the $\alpha$ and the $\gamma$ phases. We compute the magnetic form factor, and show that it is very close to free ion behavior in both the local moment $\gamma$ phase as well as the more itinerant $\alpha$ phase, in agreement with neutron scattering experiments. In sharp contrast, the dynamic local magnetic susceptibility of the two phases is strikingly different. In the $\gamma$ phase, the sharp low energy peak due to local moment formation and consequently low Kondo temperature dominates the spectra. In the $\alpha$ phase two broad peaks can be identified, the first is due to Kondo screening, and the second is due to Hund's coupling. This shows that hybridization plays a central role in the $\alpha-\gamma$ transition in cerium, and that from the point of view of magnetic properties, the $4f$ electrons are strongly correlated in both phases.