On the origin of magnetic anisotropy in 4 f -free ferromagnets based on the CaCu 5 structure .

Autor: Samolyuk GD; Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831, United States of America., Belashchenko KD; Department of Physics and Astronomy and Nebraska Center for Materials and Nanoscience, University of Nebraska-Lincoln, Lincoln, NE 68588, United States of America., Parker DS; Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831, United States of America.
Jazyk: angličtina
Zdroj: Journal of physics. Condensed matter : an Institute of Physics journal [J Phys Condens Matter] 2024 Aug 14; Vol. 36 (45). Date of Electronic Publication: 2024 Aug 14.
DOI: 10.1088/1361-648X/ad673a
Abstrakt: Using first-principles calculations, we investigate the origin of magnetocrystalline anisotropy in a series of 4 f -electron-free intermetallics with CaCu 5 -based structures: YCo 5 , YCo 4 B, and Y 3 Co 13 B 2 . The electronic structure of these compounds is characterized by a set of narrow 3 d bands near the Fermi level. In YCo 5 the easy-axis anisotropy originates primarily in the spin-orbit coupling-induced mixing of the electronic states with Codx2-y2anddxycharacter. The analysis of k -resolved anisotropy shows that positive contributions accumulate from the entire Brillouin zone but are particularly large near thekz=0plane. The analysis of the single-site and two-site terms reveals a large positive single-site contribution to the magnetocrystalline anisotropy from the Co atoms on the honeycomb sublattice, along with two-site contributions from both honeycomb and kagome sublattices.
(Creative Commons Attribution license.)
Databáze: MEDLINE
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