Fig. 2: Electronic structure analysis of hydrogenated graphene.
From: Two-dimensional Stiefel-Whitney insulators in liganded Xenes
Band structure of a d-CH and d s-CH. ± marks Bloch states having opposite parities with respect to inversion or C2z operation at high-symmetry points of the Brillouin zone. Isosurface contours of maximally localized Wannier functions (MLWFs) constructed from the five valence bands of b d-CH and e s-CH, displaying the character of σ-bonded combinations of sp3 hybrids (blue for positive value and red for negative). Wyckoff positions for c d-CH with space group 164 and f s-CH with space group 183. The main Wyckoff sites are indicated by a black dot, blue squares (C atoms) and orange triangles (empty sites), respectively.
