Fig. 3: QSGÅ´ calculations.
From: Giant exchange splitting in the electronic structure of A-type 2D antiferromagnet CrSBr
a Atom-resolved (Mulliken projection) partial density of states from \({\rm{QSG}}\hat{{\rm{W}}}\) calculations. The projection here, as well as panel (c), runs over the atoms within a single layer (inset) rather than the whole AFM unit cell. b Comparison of the calculated band dispersions along Γ-X, where the linewidth represents the total Cr weight (i.e., summing over the spin index), with ARPES data (measured with hν = 53 eV at 33 K, same data as Fig. 1h). c Calculated dispersions plotted with spin-resolved (red = up, green = down) weight of the Br (left side) and S (right side) character. Two pairs of bands with dominantly S and some Br character at the X point are highlighted and labelled as X1 and X2.
