Figure 2. Lattice structure and bulk bands of PbTaSe₂.

(a) Hexagonal lattice of PbTaSe₂. (b) Bulk band structure of PbTaSe₂. (c) Calculated bulk band structure of PbTaSe₂. (d,e) Zoom-in band structure around H without/with the inclusion of SOC. The colour code (red and blue) shows the orbital components. The up and down arrows indicate spin up and spin down along the z axis, respectively. (f,g) Same as d,e but for band structure around K. The bands in e,g correspond to those in the red rectangular boxes in c.