Emergent altermagnetism at surfaces of antiferromagnets: full symmetry classification and material identification

Abstract

We demonstrate the emergence of altermagnetism at the surfaces of antiferromagnets, vastly expanding the number of material candidates with altermagnetic characteristics and establishing a route towards two-dimensional altermagnetism through surface-induced symmetry breaking. We do so by developing a surface spin group formalism that fully classifies all surface magnetic states and identifies altermagnetic surface spin groups that can arise at the surfaces of antiferromagnets. We use this formalism to identify over 150 antiferromagnetic entries from the MAGNDATA database with at least one altermagnetic surface, often times with multiple such surfaces in the same material, and clarify the role of surface roughness and terraces. We illustrate this emergent phenomenon in a realistic Lieb lattice-based minimal model and present ab initio calculations on two representative material candidates, $\text{NaMnP}$ and ${\text{FeGe}}_2$, exhibiting $d$-wave and $g$-wave surface altermagnetism, respectively. Our theory naturally resolves the contradiction of recent experimental reports of $d$-wave spin splitting from ARPES measurements on metallic Lieb lattice compounds such as KV${}_2$Se${}_2$O that have been shown to be antiferromagnetic in the bulk. Hence, we establish a new paradigm for generating effectively two-dimensional altermagnetism by functionalizing the abundant material class of collinear antiferromagnets as viable platforms for controlled surface altermagnetism.

updated version containing screening of latest MAGNDATA database, a discussion of surface relaxation and reconstruction, and a discussion of surfac terraces

Cited by in corpus (1)

• Altermagnetism from the viewpoint of chemistry