Magnetism and magnetic anisotropy in UGa2

被引:2
|
作者
Chatterjee, Banhi [1 ]
Kolorenc, Jindrich [1 ]
机构
[1] Czech Acad Sci, Inst Phys, Slovance 2, Prague 18221, Czech Republic
关键词
MAGNETOCRYSTALLINE ANISOTROPY; ELECTRONIC-STRUCTURE; ENERGY;
D O I
10.1557/adv.2020.314
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
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.
引用
收藏
页码:2639 / 2645
页数:7
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