Magnetism and magnetic anisotropy in UGa.sub.2./sub.

0538981 - FZÚ 2021 RIV GB eng J - Journal Article
Chatterjee, Banhi - Kolorenč, Jindřich
Magnetism and magnetic anisotropy in UGa₂.
MRS Advances. Roč. 5, č. 51 (2020), s. 2639-2645. ISSN 2059-8521
R&D Projects: GA ČR GA18-02344S
Institutional support: RVO:68378271
Keywords : magnetocrystalline anisotropy * electronic-structure * actinide * uranium
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Method of publishing: Limited access
https://doi.org/10.1557/adv.2020.314

We investigate whether first-principles calculations with an improved description of electronic correlations can explain the large magnetic moments and the strong magnetocrystalline anisotropy in the ferromagnetic compound UGa2. The correlations are treated within a static mean-field approximation DFT+U combining the density functional theory (DFT) with an onsite Hubbard interaction U. We find that DFT+U improves the agreement of the magnetic moments with the experiment compared to DFT but worsens the theoretical description of the magnetocrystalline anisotropy.
Permanent Link: http://hdl.handle.net/11104/0316712