Abstract
Laves compounds, where is a rare earth, exhibit technologically relevant properties associated with the interplay between their lattice geometry and magnetism. We apply ab initio calculations to explore how magnetic properties of Fe in systems vary with temperature. We found that the ratio between the orbital magnetic moment and the spin magnetic moment increases with increasing temperature for , and . This increase is significant and it should be experimentally observable by means of x-ray magnetic circular dichroism. We conjecture that the predicted increase of the ratio with temperature is linked to the reduction of hybridization between same-spin-channel states of atoms with fluctuating magnetic moments and to the associated increase of their atomic-like character.
- Received 3 August 2022
- Revised 6 October 2022
- Accepted 10 October 2022
DOI:https://doi.org/10.1103/PhysRevB.106.144416
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