Spin-split collinear antiferromagnets: A large-scale ab-initio study
Research output: Contribution to journal › Research article › Contributed › peer-review
Contributors
Abstract
It was recently discovered that, depending on their symmetries, collinear antiferromagnets can actually break the spin degeneracy in momentum space, even in the absence of spin-orbit coupling. Such systems, recently dubbed altermagnets, are signalled by the emergence of a spin-momentum texture set mainly by the crystal and magnetic structure, relativistic effects playing a secondary role. Here we consider all collinear q = 0 antiferromagnetic compounds in the MAGNDATA database allowing for spin-split bands. Based on density-functional calculations for the experimentally reported crystal and magnetic structures, we study more than sixty compounds and introduce numerical measures for the average momentum-space spin splitting. We highlight some compounds that are of particular interest, either due to a relatively large spin splitting, such as CoF2 and FeSO4F, or because of their low-energy electronic structure. The latter include LiFe2F6, which hosts nearly flat spin-split bands next to the Fermi energy, as well as RuO2, CrNb4S8, and CrSb, which are spin-split antiferromagnetic metals.
Details
Original language | English |
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Article number | 100991 |
Journal | Materials today physics |
Volume | 32 |
Publication status | Published - Mar 2023 |
Peer-reviewed | Yes |
Keywords
ASJC Scopus subject areas
Keywords
- Altermagnets, Collinear antiferromagnets, MAGNDATA, Magnetic space group, Spin splitting