Fig. 3: Quasiparticle self-consistent GW calculations.
a Calculated band structure of Sb(111) obtained with a tight-binding model based on quasiparticle self-consistent GW calculations (see Methods) along the full \(\overline{\,\text{M}\,}\)-\(\overline{{{\Gamma }}}\)-\(\overline{\,\text{K}\,}\) direction. The continuum of bulk states is displayed as a gray background, and lines show the discrete bands of a 100-bilayer slab. The degree of surface localization on the topmost bilayer is indicated by the band coloring. SS, SR, and BS denote surface-state bands, bulk-derived surface resonances and pure bulk states, respectively. b Zoom-in on the region of the kink structure seen in a along the \(\overline{\,\text{M}\,}\)-\(\overline{{{\Gamma }}}\) direction. c, d Calculation of the spin polarization of the bands corresponding to the results shown in a and b, respectively. The magnitude and direction of the chiral spin component (Schiral) is represented by the red/blue color scale. Equivalent band structure calculations with orbital projection onto the px, py, and pz orbitals for e, f and g respectively.
