Fig. 6: Calculation of the obstructed hinge states.
a–c The orbital-resolved band structure for the modified NiTe2 (with dz = 4.42 Angstrom in the inset), which shows the strong hybridization between the Te-px, py orbitals and Ni-d orbitals. d The z-directed Wannier charge centers for the occupied nine bands. The dashed lines (0.19c) indicate the locations of the Te atoms. Two Wannier charge centers in the red box are quite away from the Te atoms, with the average of 0.116c. It indicates that the NiTe2 monolayer is unconventional with mismatched electronic charge centers. e The obtained obstructed states of the monolayer NiTe2. They are highlighted in the red and blue lines. f The hinge spectrum of the pristine NiTe2 (dz = 2.63 Angstrom) with open boundary conditions in both b and c directions. g The projected atoms on the hinge. h Schematic illustration of the spin distribution. The spin in the bulk is randomized, while on the hinges it is locked to be in the plane perpendicular to the hinges.
