Regensburg 2019 – wissenschaftliches Programm
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MA: Fachverband Magnetismus
MA 46: Magnetic particles and clusters
MA 46.3: Vortrag
Donnerstag, 4. April 2019, 12:00–12:15, H52
Magnetic structure of Fe chains on Re(0001) — •András Lászlóffy1, László Udvardi1,2, and László Szunyogh1,2 — 1Department of Theoretical Physics, Budapest University of Technology and Economics, Budapest, Hungary — 2MTA-BME Condensed Matter Research Group, Budapest University of Technology and Economics, Budapest, Hungary
We present first principles calculations for closed packed chains of 5, 10 and 15 Fe atoms on the top of Re(0001) surface. We use the Embedded Cluster Korringa-Kohn-Rostoker Green’s function scheme to investigate the magnetic properties of the systems, as well as the Relativistic Torque method to generate tensorial interactions of a classical spin model. It turns out that the nearest neigbour isotropic couplings are antiferromagnetic and the easy axis is in-plane and perpendicular to the chain direction. The 5 and 10-atom-long Fe chains somewhat deviate from a collinear state due to Dzyaloshinskii-Moriya (DM) interactions and two-site anisotropies. The 15-atom chain displays a spin-spiral ground state being close to an AFM state, with a modulation wavelength of 14 atom. Because of the out-of-plane hard axis the spins lie in-plane and the DM interactions determine the chirality of the spin spiral. Direct ab initio simulation of the ground state results in a similar magnetic structure, but with opposite chirality. Supported by suitable magnetic force theorem calculations, we propose that introducing four-spin chiral interactions in the spin-model is crutial to understand the chirality of the spin-spiral ground state of the chain.