Theory of interlayer coupling in CrSBr altermagnet semiconductor

L. Craco () and S. S. Carara
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L. Craco: Federal University of Mato Grosso
S. S. Carara: Federal University of Mato Grosso

The European Physical Journal B: Condensed Matter and Complex Systems, 2025, vol. 98, issue 10, 1-8

Abstract: Abstract Altermagnets provide promising platforms for novel magnetism, which could empower a new generation of spintronic devices. While various bulk altermagnets have been discovered, altermagnetism in infinite-layer van der Waals (vdW) semiconductors remains elusive. Motivated thereby, here we perform a theory study for the electronic structure reconstruction within the magnetically ordered phase of CrSBr vdW crystal. Based on the Green’s function formalism combined with density functional plus dynamical mean-field theory calculations, we unveil the role played by interlayer hybridization and local many-particle interactions on the electronic state of infinite-layer CrSBr, using its ferromagnetic monolayer spin–orbital state as the building block toward c-axis altermagnetism. This work is a step forward in describing the manifestation of the electronic state of antiferromagnetic CrSBr and its anisotropic evolution induced by the interplay between orbital- and spin-selective electronic structure and layer-by-layer magnetic ordering. Our study identifies CrSBr as a prototypical infinite-layer vdW material featuring altermagnetic order. Graphical abstract

Date: 2025
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DOI: 10.1140/epjb/s10051-025-01071-5

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