Figure 1.

(a) Top view of the crystal structure of a single CrSBr layer. Cyan, yellow, and pink balls represent chromium, sulfur, and bromine atoms, respectively. J₁, J₂, and J₃ magnetic exchange interactions for first, second, and third neighbors are represented by arrows that connect the Cr atoms. (b) Side view of the same CrSBr structure showing the spin orientation along b. Calculated maximally localized Wannier orbitals. Green arrows illustrate the most relevant magnetic superexchange channels, namely, t_2g–e_g (FM), t_2g–t_2g (AFM), and e_g–e_g (AFM) for J₁ (c, f), J₂ (d, g), and J₃ (e, h).