Internship and thesis proposals
Ab initio theory of magnetic order in rare-earth intermetallics

Domaines
Condensed matter
Nouveaux états électroniques de la matière corrélée

Type of internship
Théorique, numérique
Description
Magnetic intermetallics containing rare-earth elements play an important role in modern industry and sustainable energy production. In particular, rare-earth-based magnetocaloric materials for cryogenic magnetic refrigeration have attracted recently a lot of attention. These materials exhibit magnetic orders due to 4f quasi-atomic shells of rare-earth coupled by inter-site exchange (IE). The rare-earth 4f shells are also impacted by crystal electric field (CEF) induced by crystalline environment. These coupling constants - various IE processes and CEF - typically have comparable magnitudes; their subtle interplay results in complex magnetic orders of rare-earth intermetallics. Current understanding of the relative importance of various coupling mechanisms and the ability to predict the actual magnetic orders in these systems are still rather limited. The goal of this internship will be to carry out ab initio analysis of a selected set of rare-earth compounds with the aim of establishing the role and relative importance of various coupling mechanisms and CEF in their magnetic orders. The project will be based on methodologies developed in the CPHT Condensed matter theory group for calculating CEF potentials and IE interactions.

Contact
Leonid Poyurovskiy
Laboratory : CPHT - UMR7644
Team : Condensed Matter
Team Website
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