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.
Abstract.We numerically study Friedel Oscillations and screening eect around a single impurity in one-and two-dimensional interacting lattice electrons. The interaction between electrons is accounted for by using a momentum independent self-energy obeying the Luttinger theorem. It is observed in one-dimensional systems that the amplitude of oscillations is systematically damped with increasing the interaction while the period remains unchanged. The variation of screening charge with the impurity potential is discussed. We see that the screening charge is suppressed by the interactions. In case of two-dimensional systems the surface oscillations around the impurity are more localized with increasing the interactions.
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