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

Autor:	O. Šipr, S. Mankovsky, J. Vackář, H. Ebert, A. Marmodoro
Rok vydání:	2022
Předmět:	Condensed Matter - Materials Science ray circular-dichroism Materials Science (cond-mat.mtrl-sci) FOS: Physical sciences hyperfine interactions anisotropy GDFE2 spin magnetization
Zdroj:	Physical Review B. 106
ISSN:	2469-9969 2469-9950
DOI:	10.1103/physrevb.106.144416
Popis:	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 m_orb and the spin magnetic moment m_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 m_orb/m_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. 6 pages, 3 figures, 1 table
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::49c9dae88130046e6add26231fb7a230 https://doi.org/10.1103/physrevb.106.144416 Zobrazit plný text záznamu