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MA: Fachverband Magnetismus

MA 39: Poster Magnetism II

MA 39.21: Poster

Mittwoch, 11. März 2026, 18:00–21:00, P2

First-principles study of Mn mono- and bilayers on the Ta(001) surface — •Leo Kollwitz, Tim Drevelow, and Stefan Heinze — Institute of Theoretical Physics and Astrophysics, Kiel University, Leibnizstraße 15, 24098 Kiel, Germany

The magnetic order in ultrathin 3d transition-metal films on surfaces can be strongly influenced by the substrate. A prominent example is a Mn monolayer on W(001), in which the prototypical antiferromagnetic Mn exhibits strong ferromagnetic exchange coupling [1]. Deposition of an additional Mn layer, however, leads to a checkerboard antiferromagnetic order in the surface layer, while the magnetic moment of the Mn interface layer is quenched moment [2]. Here, we study the magnetism in Mn mono- and bilayers on the Ta(001) surface by density functional theory (DFT) via the Fleur code [3]. Surprisingly, the Ta substrate leads to a very similar behavior of magnetic order in the Mn mono- and bilayer as on the W(001) surface, contrary to the trend observed for Fe monolayers [4]. Our DFT calculations show a strong dependence of the magnetic moments of the lower Mn layer on the interlayer distance as well as the magnetic configuration. Based on the DFT results we parameterize an atomistic spin Hamiltonian.  
[1] P. Ferriani et al., Phys. Rev. B 72, 024452 (2005)
[2] S. Meyer et al., Phys. Rev. Res. 2, 012075(R) (2020)
[3] The Fleur project, www.flapw.de
[4] P. Ferriani et al., Phys. Rev. Lett. 99, 187203 (2007)

Keywords: Density functional theory (DFT); Ultrathin films; Bilayer; Atomistic model