SurfaceScience21 – wissenschaftliches Programm
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O: Fachverband Oberflächenphysik
O 49: Poster Session IV: Electronic structure of surfaces: Spectroscopy, surface states II
O 49.6: Poster
Dienstag, 2. März 2021, 13:30–15:30, P
Metallic Antiferromagnetic Spintronics: Mn2Au a case study — •Sunil Wilfred DSouza1, Hans-Joachim Elmers2, Satya Prakash Bommanaboyena2, Vladimir N Strocov3, Martin Jourdan2, and Jan Minár1 — 1New Technologies Research Centre, University of West Bohemia, Univerzitní 8, CZ-306 14 Pilsen, Czech Republic — 2Institut für Physik, Johannes Gutenberg-Universität, Staudingerweg 7, D-55099 Mainz, Germany — 3Swiss Light Source, Paul Scherrer Institut, CH-5232 Villigen-PSI, Switzerland
The band structure of Mn2Au has been investigated by first-principles density-functional theory calculations based on the Green’s function technique. The total density of state reveals contributions mainly from the Au5d and Mn3d states with rigid local moments on the Mn sites. The existence of significant out-of-plane magnetic anisotropy combined with the large strength of short range antiferromagnetic exchange interactions between Mn atoms located at two different Wyckoff positions results in the stabilization of the antiferromagnetic ground state. Two dimensional plots of constant energy surfaces in the Γ-X-Σ plane of the Brillouin zone exibits a 4-fold to 2-fold symmetry breaking as a function of the binding energy at 0.00 eV and 0.25 eV below the Fermi surface. We find that such a symmetry breaking in Mn2Au is arising due to the degeneration of the electronic bands in the presence of external magnetic field indicating a strong spin-orbit coupling interaction. Our results describes the tuning of the magnetic and electronic properties of Mn2Au for spintronic applications.