2018/05/31 by Cinthia Antunes Corrêa, Karel Výborný · 1 citation
Physics and Astronomy · #cond-mat.mtrl-sci
paper · pdf · doi:10.1103/physrevb.97.235111
published as Phys. Rev. B 97, 235111, 2018 · 9 pages, 8 figures, and 3 appendices
arxiv created 2018/09/12 · arxiv updated 2018/09/13
We compare GGA+U calculations with available experimental data and analyze the origin of magnetic anisotropies in MnF2, FeF2, CoF2, and NiF2. We confirm that the magnetic anisotropy of MnF2 stems almost completely from the dipolar interaction, while magnetocrystalline anisotropy energy plays a dominant role in the other three compounds, and discuss how it depends on the details of band structure. The latter is critically compared to available optical measurements. The case of CoF2, where magnetocrystalline anisotropy energy strongly depends on U, is put into contrast with FeF2 where theoretical predictions of magnetic anisotropies are nearly quantitative.