Spin-split collinear antiferromagnets: a large-scale ab-initio study

Yaqian Guo; Hui Liu; Oleg Janson; Ion Cosma Fulga; Jeroen van den Brink; Jorge I. Facio

doi:10.1016/j.mtphys.2023.100991

paper

Spin-split collinear antiferromagnets: a large-scale ab-initio study

arXiv:2207.07592 · doi:10.1016/j.mtphys.2023.100991

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 CoF $_{2}$ and FeSO $_{4}$ F, or because of their low-energy electronic structure. The latter include LiFe $_{2}$ F $_{6}$ , which hosts nearly flat spin-split bands next to the Fermi energy, as well as RuO $_{2}$ , CrNb $_{4}$ S $_{8}$ , and CrSb, which are spin-split antiferromagnetic metals.

Spin-split collinear antiferromagnets: a large-scale ab-initio study

Abstract

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