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Role of Berry phase theory for describing orbital magnetism: From magnetic heterostructures to topological orbital ferromagnets

Hanke, J.-P. and Freimuth, F. and Nandy, A. K. and Zhang, H. and Blügel, S. and Mokrousov, Y. (2016):
Role of Berry phase theory for describing orbital magnetism: From magnetic heterostructures to topological orbital ferromagnets.
94, In: Physical Review B, (12), American Physical Society, p. 121114, ISSN 2469-9950, DOI: 10.1103/PhysRevB.94.121114,
[Online-Edition: https://doi.org/10.1103/PhysRevB.94.121114],
[Article]

Abstract

We address the importance of the modern theory of orbital magnetization for spintronics. Based on an all-electron first-principles approach, we demonstrate that the predictive power of the routinely employed "atomcentered" approximation is limited to materials like elemental bulk ferromagnets, while the application of the modern theory of orbital magnetization is crucial in chemically or structurally inhomogeneous systems such as magnetic thin films, and materials exhibiting nontrivial topology in reciprocal and real space, e.g., Chern insulators or noncollinear systems. We find that the modern theory is particularly crucial for describing magnetism in a class of materials that we suggest here-topological orbital ferromagnets.

Item Type: Article
Erschienen: 2016
Creators: Hanke, J.-P. and Freimuth, F. and Nandy, A. K. and Zhang, H. and Blügel, S. and Mokrousov, Y.
Title: Role of Berry phase theory for describing orbital magnetism: From magnetic heterostructures to topological orbital ferromagnets
Language: English
Abstract:

We address the importance of the modern theory of orbital magnetization for spintronics. Based on an all-electron first-principles approach, we demonstrate that the predictive power of the routinely employed "atomcentered" approximation is limited to materials like elemental bulk ferromagnets, while the application of the modern theory of orbital magnetization is crucial in chemically or structurally inhomogeneous systems such as magnetic thin films, and materials exhibiting nontrivial topology in reciprocal and real space, e.g., Chern insulators or noncollinear systems. We find that the modern theory is particularly crucial for describing magnetism in a class of materials that we suggest here-topological orbital ferromagnets.

Journal or Publication Title: Physical Review B
Volume: 94
Number: 12
Publisher: American Physical Society
Divisions: 11 Department of Materials and Earth Sciences
11 Department of Materials and Earth Sciences > Material Science
11 Department of Materials and Earth Sciences > Material Science > Theory of Magnetic Materials
Date Deposited: 08 Aug 2017 09:07
DOI: 10.1103/PhysRevB.94.121114
Official URL: https://doi.org/10.1103/PhysRevB.94.121114
Funders: We gratefully acknowledge computing time on the supercomputers JUQUEEN and JURECA at Julich Supercomputing Center as well as at the JARA-HPC cluster of RWTH Aachen, and funding under SPP 1538 of Deutsche Forschungsgemeinschaft (DFG)., H. Z. thanks the LOEWE project RESPONSE funded by the Ministry of Higher Education, Research and the Arts (HMWK) of the Hessen state., A. N. acknowledges financial support from the MAGicSky Horizon 2020 European Research FET Open Project No. 665095.
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