This title appears in the Scientific Report : 2019 

Complex magnetism of B20-MnGe: from spin-spirals, hedgehogs to monopoles
Bornemann, Marcel (Corresponding author)
Grytsiuk, Sergii / Baumeister, Paul F. / dos Santos Dias, Manuel / Zeller, Rudolf / Lounis, Samir / Blügel, Stefan
Jülich Supercomputing Center; JSC
JARA - HPC; JARA-HPC
JARA-FIT; JARA-FIT
Quanten-Theorie der Materialien; PGI-1
Quanten-Theorie der Materialien; IAS-1
Journal of physics / Condensed matter Condensed matter, 31 (2019) 48, S. 485801
Bristol IOP Publ.80390 2019
10.1088/1361-648X/ab38a0
Journal Article
Computational Science and Mathematical Methods
Controlling Configuration-Based Phenomena
Controlling Spin-Based Phenomena
OpenAccess
OpenAccess
Please use the identifier: http://dx.doi.org/10.1088/1361-648X/ab38a0 in citations.
Please use the identifier: http://hdl.handle.net/2128/22725 in citations.
B20 compounds are the playground for various non-trivial magnetic textures such as skyrmions, which are topologically protected states. Recent measurements on B20-MnGe indicate no clear consensus on its magnetic behavior, which is characterized by the presence of either spin-spirals or three-dimensional objects interpreted to be a cubic lattice of hedgehogs and anti-hedgehogs. Utilizing a massively parallel linear scaling all-electron density functional algorithm, we find from full first-principles simulations on cells containing thousands of atoms that upon increase of the compound volume, the state with lowest energy switches across different magnetic phases: ferromagnetic, spin-spiral, hedgehog and monopole.