Magnetic susceptibility of Ce: an LDA+DMFT study

Abstract

The magnetic properties of Ce in the $\alpha$ and $\gamma$ phase are calculated within the LDA+DMFT approach. The magnetic susceptibility in these two phases shows a similar behavior over a wide temperature range: a Curie-Weiss law at high temperatures, indicating the presence of local moments, followed by a maximum in a crossover regime, and a saturation characteristic of a state with screened local moments at low temperature. The difference in experimentally observable magnetic properties is caused by the shift of the susceptibility to higher temperatures in the $\alpha -$phase compared to the $\gamma -$phase, due to the larger hybridization between localized $4f-$states and conductive $spd-$electrons.

4 pages, 4 figures

References in corpus (12)

• Continuous-time Monte Carlo methods for quantum impurity models
• A continuous-time solver for quantum impurity models
• The ALPS project release 2.0: Open source software for strongly correlated systems
• Nature of the 5f states in actinide metals
• The Cerium volume collapse: Results from the LDA+DMFT approach
• The alpha-gamma transition of Cerium is entropy-driven
• The alpha to gamma transition in Ce: a theoretical view from optical spectroscopy
• Thermodynamic and spectral properties of compressed Ce calculated by the merger of the local density approximation and dynamical mean field theory
• The spectral and magnetic properties of $\alpha$- and $\gamma$-Ce from the Dynamical Mean-Field Theory and Local Density Approximation
• Is the Mott transition relevant to f-electron metals ?
• Continuous-Time Quantum Monte Carlo Method for the Coqblin-Schrieffer Model
• The Kondo Lattice Model in Infinite Dimensions II. Static Susceptibilities and Phase Diagram

Cited by in corpus (7)

• Screened Coulomb interaction calculations: cRPA implementation and applications to dynamical screening and self-consistency in uranium dioxide and cerium
• Electronic structure of cerium: A comprehensive first-principles study
• Thermodynamics of the α-γ transition in Cerium from first principles
• Towards a first-principles determination of effective Coulomb interactions in correlated electron materials: Role of intershell interactions
• $\alpha -\gamma$ transition in cerium: magnetic form factor and dynamic magnetic susceptibility in dynamical mean-field theory
• Machine-learning enabled thermodynamic model for the design of new rare-earth compounds
• Coexistance of non-Fermi liquid behavior and bi-quadratic exchange coupling in La-substituted CeGe: Non-linear susceptibility and DFT + DMFT study