Temperature-driven emergence of local moment in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mi>δ</mml:mi> </mml:math> -plutonium
In this work, the electronic structure, the uniform magnetic susceptibility, and the static and dynamic local magnetic susceptibilities of $\ensuremath{\delta}$-Pu are investigated with the help of density functional theory (DFT) plus dynamical mean-field theory. Consistent with experimental observations and at variance with DFT, the ground state at low temperature is found to be nonmagnetic and characterized as a mixed-valence system, where the local magnetic moment from the partially filled $5f$ shell is effectively screened by the conduction electrons. Importantly, as the temperature rises a local magnetic moment emerges with antiparallel orbital and spin angular momenta, leading to a transition from a Pauli-like behavior to an apparent weak Curie-Weiss magnetism in the uniform magnetic susceptibility. The crossover regime corresponds to the emergence of a local moment as evidenced by the local susceptibilities. This finding reconciles previous discrepancies between experimental observation and theoretical simulations.
Authors
- Bernard Amadon (ORCID: https://orcid.org/0000-0002-9014-1725)
- Frédéric Gendron (ORCID: https://orcid.org/0000-0002-1896-3978)
Institutions
- Commissariat à l'Énergie Atomique et aux Énergies Alternatives (FR)
- Université Paris-Saclay (FR)
- CEA DAM Île-de-France (FR)
Publication Details
- Journal
- Physical review. B./Physical review. B
- Published
- 2025-09-26
- DOI
- https://doi.org/10.1103/28p8-l3pd
- Primary Topic
- Rare-earth and actinide compounds
- Type
- article
- Field-Weighted Citation Impact
- 0.00