Temperature-induced changes in the magnetism of Laves phase rare-earth-iron intermetallics by ab initio calculations

Sipr, O.; Mankovsky, S.; Vackar, J.; Ebert, H. und Marmodoro, A. (2022): Temperature-induced changes in the magnetism of Laves phase rare-earth-iron intermetallics by ab initio calculations. In: Physical Review B, Bd. 106, Nr. 14, 144416

Abstract

Laves RFe2 compounds, where R 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 RFe2 systems vary with temperature. We found that the ratio between the orbital magnetic moment mu orb and the spin magnetic moment mu spin increases with increasing temperature for YFe2, GdFe2, TbFe2, DyFe2, and HoFe2. 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 mu orb/mu spin 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.

• Dokumententyp: Zeitschriftenartikel
• Fakultät: Chemie und Pharmazie > Department Chemie
• Themengebiete: 500 Naturwissenschaften und Mathematik > 540 Chemie
• ISSN: 2469-9950
• Sprache: Englisch