Dresden 2017 – wissenschaftliches Programm

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MA: Fachverband Magnetismus

MA 3: Magnetic Textures: Statics and experimental imaging

MA 3.9: Vortrag

Montag, 20. März 2017, 11:45–12:00, HSZ 101

Investigation of three-dimensional skyrmion structure of MnGe from first-principles — •Marcel Bornemann, Paul F. Baumeister, Roman Kovacik, Bernd Zimmermann, Phivos Mavropoulos, Samir Lounis, Nikolai S. Kiselev, Peter H. Dederichs, Rudolf Zeller, and Stefan Blügel — Peter Grünberg Institut and Institute for Advanced Simulation, Forschungszentrum Jülich and JARA, 52425 Jülich, Germany

The magnetic B20 compounds are an interesting class of chiral bulk magnets hosting skyrmions at appropriate temperature and magnetic fields. Among those is MnGe for which experiments [1] indicate a three-dimensional skyrmionic magnetic texture that is currently not understood. In this work we approach the understanding from a full first-principle ansatz based on density-functional theory (DFT). From a methodological point of view such an ab initio treatment requests the non-collinear treatment including spin-orbit interactions of easily a few thousand atoms – a challenge, which we can meet with the recently developed Korringa-Kohn-Rostoker Green-function program KKRnano [2]. Key to performing such calculations is a linear-scaling behaviour of the code on massively parallel computers with regards to compute time and memory requirements.

Work is supported by the Exascale Innovation Center Jülich. Simulations were performed with computing resources granted by JARA-HPC and Forschungszentrum Jülich.

[1] T. Tanigaki et al., Nano Lett. 15, 5438 (2015).

[2] A. Thiess et al., Phys. Rev. B 85, 235103 (2012).