Itinerant-localized dichotomy in magnetic anisotropic properties of U-based ferromagnets

0577710 - FZÚ 2024 RIV US eng J - Journal Article
Shick, Alexander - Halevy, I. - Tchaplianka, Maxim - Legut, D.
Itinerant-localized dichotomy in magnetic anisotropic properties of U-based ferromagnets.
Scientific Reports. Roč. 13, č. 1 (2023), č. článku 2646. ISSN 2045-2322. E-ISSN 2045-2322
R&D Projects: GA MŠMT(CZ) EF16_019/0000760
Grant - others:OP VVV - SOLID21(XE) CZ.02.1.01/0.0/0.0/16_019/0000760
Research Infrastructure: e-INFRA CZ - 90140
Institutional support: RVO:68378271
Keywords : electronic structure * magnetic anisotropy * uranium * permanent magnets
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Impact factor: 4.6, year: 2022
Method of publishing: Open access

The electronic structure, spin and orbital magnetic moments, and the magnetic anisotropy energy in selected U‑based compounds are investigated making use of the correlated band theory. First, we demonstrate that the LSDA+U approach with exact atomic limit implemented as a combination of the relativistic density functional theory with the Anderson impurity model provides a good quantitative description for UGa2. Further, the method is applied to UFe12 and UFe10Si2 ferromagnets. The calculated positive uniaxial magnetic anisotropy together with negative enthalpy of formation for UFe10Si2 make it as a candidate for the magnetically hard materials. Our studies suggest a viable route for further development of the rare‑earth‑lean permanent magnets by replacing a part of U atoms by some rare‑earth like Sm in UFe10Si2.
Permanent Link: https://hdl.handle.net/11104/0346826