SKM 2023 – scientific programme
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MA: Fachverband Magnetismus
MA 41: Focus Session: Altermagnetism: Transport, Optics, Excitations
MA 41.3: Talk
Thursday, March 30, 2023, 16:00–16:15, HSZ 02
Spin-split collinear antiferromagnets: a large-scale ab-initio study — •Yaqian Guo1, Hui Liu1,2, Oleg Janson1, Ion Cosma Fulga1,2, Jeroen van den Brink1,2, and Jorge I. Facio1,3,4 — 1Leibniz Institute for Solid State and Materials Research, Germany — 2Würzburg-Dresden Cluster of Excellence ct.qmat, Technische Universität Dresden, Germany — 3Centro Atómico Bariloche and Instituto Balseiro, Argentina — 4Instituto de Nanociencia y Nanotecnología CNEA-CONICET, Argentina
It was recently discovered that, depending on their symmetries, collinear antiferromagnets can break the spin degeneracy in momentum space, even in the absence of spin-orbit coupling. Such systems 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 metals.