N. Biniskos^1*, F. J. dos Santos^2*, K. Schmalzl³, S. Raymond⁴, M. dos Santos Dias^5,6, J. Persson⁷, N. Marzari², S. Blügel⁶, S. Lounis^6,5, T. Brückel⁷

1 Forschungszentrum Jülich GmbH, Jülich Centre for Neutron Science at MLZ, Lichtenbergstr. 1, D-85748 Garching, Germany

2 Theory and Simulation of Materials (THEOS), and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), École Polytechnique Fédérale de Lausanne, 1015 Lausanne, Switzerland

3 Forschungszentrum Jülich GmbH, Jülich Centre for Neutron Science at ILL, 71 Avenue des Martyrs, F-38000 Grenoble, France

4 Université Grenoble Alpes, CEA, IRIG, MEM, MDN, F-38000 Grenoble, France

5 Faculty of Physics, University of Duisburg-Essen and CENIDE, D-47053 Duisburg, Germany

6 Peter Grünberg Institut and Institute for Advanced Simulations, Forschungszentrum Jülich & JARA, D-52425 Jülich, Germany

7 Forschungszentrum Jülich GmbH, Jülich Centre for Neutron Science (JCNS-2) and Peter Grünberg Institut (PGI-4), JARA-FIT, D-52425 Jülich, Germany

* Corresponding authors emails: n.biniskos@fz-juelich.de, flaviano.dossantos@epfl.ch

DOI10.24435/materialscloud:85-ys [version v1]

Publication date: Oct 26, 2022

How to cite this record

N. Biniskos, F. J. dos Santos, K. Schmalzl, S. Raymond, M. dos Santos Dias, J. Persson, N. Marzari, S. Blügel, S. Lounis, T. Brückel, Complex magnetic structure and spin waves of the noncollinear antiferromagnet Mn₅Si₃, Materials Cloud Archive 2022.132 (2022), https://doi.org/10.24435/materialscloud:85-ys

Description

Mn₅Si₃ displays an unusual and complex magnetic ground state, which is considered to be the origin of the anomalous transport and thermodynamic properties that it exhibits. We report the magnetic exchange couplings of the noncollinear antiferromagnetic phase of Mn₅Si₃ using inelastic neutron scattering measurements and density functional theory calculations. We determine the ground-state spin configuration and compute its magnon dispersion relations which are in good agreement with the ones obtained experimentally. Furthermore, we investigate the evolution of the spin texture under the application of an external magnetic field to demonstrate theoretically the multiple field-induced phase transitions that Mn₅Si₃ undergoes. Finally, we model the stability of some of the material’s magnetic moments under a magnetic field and we find that very susceptible magnetic moments in a frustrated arrangement can be tuned by the field. This data set contains the data relevant to perform the DFT calculations with the JuKKR code, the spin dynamics simulations with the Spirit code, the spin-wave calculations with the SWIS code, and the neutron scattering experimental data.

Materials Cloud sections using this data

Files

File name	Size	Description
Mn5Si3.zip MD5md5:bd4cfd1a5a489c22560ff0bf50f5432b	70.9 MiB	Theoretical and experimental data
README.txt MD5md5:079bc7495b5a6fae9b89b2598aeede70	1.3 KiB	README file

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External references

Keywords

antiferromagnetism frustration noncollinear magnetism spin waves inelastic neutron scattering MARVEL INTERSECT