Regensburg 2019 – wissenschaftliches Programm
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MA: Fachverband Magnetismus
MA 9: Cooperative phenomena: Spin structures and magnetic phase transitions
MA 9.4: Vortrag
Montag, 1. April 2019, 15:45–16:00, H53
Electronic properties and spin waves of Mn5Si3 from first principles — •Flaviano José dos Santos1, Nikolaos Biniskos2,3, Manuel dos Santos Dias1, Karin Schmalzl2, Stefan Blügel1, Stéphane Raymond3, and Samir Lounis1 — 1Peter Grünberg Institut & Institute for Advanced Simulation, Forschungszentrum Jülich & JARA, Jülich, Germany — 2Jülich Centre for Neutron Science, Forschungszentrum Jülich, Outstation at ILL, Grenoble, France — 3Université Grenoble Alpes, CEA, INAC, MEM, Grenoble, France
Mn5Si3 is an antiferromagnet hosting rich physics, such as the inverse magnetocaloric effect [1] and a large anomalous Hall effect [2]. However, many questions remain unanswered [3-4], such as why some Mn magnetic moments vanish in its collinear phase, what is the role of spin fluctuations and what is the minimal magnetic model hamiltonian. We tackle some of these problems with DFT calculations using the full-potential Korringa-Kohn-Rostoker method including spin-orbit coupling. We investigated the electronic and magnetic properties of the system in different magnetic phases, also determining the magnetic exchange interactions and the magnetocrystalline anisotropy. We used a scheme for spin waves in noncollinear magnets [5] to compute the spin-wave energies as a function of the external magnetic field. Our theoretical results, with a single free parameter, are in good agreement with experimental data from neutron scattering. – [1] Biniskos et al., PRL 120, 257205(2018). [2] Sürgers et al., Sci. Rep. 7, 42982(2017). [3] Silva et al., JPCM 14, 8707(2002). [4] Gottschilch et al., J. Mater. Chem. 22, 15275(2012). [5] Dos Santos et al., PRB 97, 024431(2018).