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MA: Fachverband Magnetismus
MA 57: Posters Magnetism II
MA 57.13: Poster
Donnerstag, 19. März 2020, 15:00–18:00, P3
Ab initio studies of magnetic interactions in MnBi2Te4 and related monolayers — •Donya Mazhjoo, Gustav Bihlmayer, and Stefan Blügel — Peter Grünberg Institut and Institute for Advanced Simulation, Forschungszentrum Jülich, D-52425 Jülich, Germany
Novel 2D magnetic materials offer a versatile platform to study magnetism in two dimensions. Density functional theory (DFT) calculations can be used to find not only the ground statemagnetic structure but also to disentangle different magnetic interactions.Using the full-potential linearized augmented planewave method (FLAPW) as implemented in the Fleur-code [1], we investigate the magnetic properties of monolayers of MnBi2Te4, that is an antiferromagnetic topological insulator in the bulk [2] and compare to MnBi2Se4 and MnSb2Te4. We focus on the scalar exchange interaction energy and on spin-orbit coupling (SOC) effects like
the magnetic anisotropy. Also, we explore the impact of the SOC on the exchange interaction energy and the magnetic ordering temperature of these materials.
[1] Ph. Kurz et al., PRB 69, 024415 (2004).
[2] M. Otrokov et al., arXiv:1809.07389(2018).