Fig. 4: Band-selective JDOS calculations.
a DFT calculated energy bands around the Fermi level of the hybridized system. b Constant energy contour at -2 meV calculated from the DFT band structure shown in (a). The symmetry points of the 2H SBZ are indicated by the black letters, the coloured contours connected by double arrows are the ones considered for the partial JDOS calculations shown in (c, e). c Partial JDOS resulting from the scattering processes between the contours indicated by the double arrows in panel b, following the same color code and integrating over the 3meV energy window indicated by the pink shaded region in panel a. The 2H and 1T SBZs are indicated by the gray dashed and black solid lines, respectively. d Schematic representation of the 1T CDW in the reciprocal space, where the Bragg spots are represented as cyan filled circles and the black halve hexagon is the corresponding SBZ. The black dashed line marks the portion of the reciprocal space shown in (e). e Band-selective JDOS calculation overlaid on the experimental data recorded at 1.2 K. The panel is divided into three 120° sections. The upper right section shows the JDOS calculation presented in (c), the upper left section shows the experimental QPI map presented in Fig. 3b, and the lower section is the superposition of both.
