Fig. 3

Calculated exciton absorption spectra and spatial distributions. a LDA (local density approximation) (dashed line) and quasiparticle band structure in the GdW approximation (solid blue line) of bulk MoTe₂. Vertical arrows indicate the largest contributions from the bands to the \({\rm X}_{\rm{A}}^0\), \({\rm X}_{\rm{A}}^{\rm{*}}\), and X _IL excitations at the K point. The left inset shows the three-dimensional Brillouin zone. b Calculated exciton absorption spectrum using a linewidth broadening of 2 meV with a zoomed-in view on the \({\rm X}_{\rm{A}}^{\rm{*}}\) and X _IL resonances. The dashed blue line at 1.385 eV indicates the direct band gap at K. c Side view (left) and top view (right) of the spatial distribution of the three excitons in the bulk crystal. The integrated probabilities of the excitonic spread are plotted for each layer left of the side view. All calculations are performed in absence of a magnetic field