%0 Journal Article %1 noauthororeditor %A Guo, Yaqian %A Liu, Hui %A Janson, Oleg %A Fulga, Ion Cosma %A Brink, Jeroen %A Facio, Jorge %D 2023 %J Mater. Today Phys. %K a b c %P 100991 %R 10.1016/j.mtphys.2023.100991 %T Spin-split collinear antiferromagnets: a large-scale ab-initio study %U https://www.sciencedirect.com/science/article/pii/S2542529323000275 %V 32 %X 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.

@article{noauthororeditor, 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.}, added-at = {2023-06-21T13:59:15.000+0200}, author = {Guo, Yaqian and Liu, Hui and Janson, Oleg and Fulga, Ion Cosma and Brink, Jeroen and Facio, Jorge}, biburl = {https://www.bibsonomy.org/bibtex/2fca9d95b2dc9d3c3b1569f146e28065f/ctqmat}, day = 01, description = {Spin-split collinear antiferromagnets: a large-scale ab-initio study}, doi = {10.1016/j.mtphys.2023.100991}, interhash = {1063530bbfb36e55a504c67a53f37379}, intrahash = {fca9d95b2dc9d3c3b1569f146e28065f}, issn = {2542-5293}, journal = {Mater. Today Phys.}, keywords = {a b c}, month = {03}, pages = 100991, timestamp = {2023-10-17T08:49:30.000+0200}, title = {Spin-split collinear antiferromagnets: a large-scale ab-initio study}, url = {https://www.sciencedirect.com/science/article/pii/S2542529323000275}, volume = 32, year = 2023 }