Fig. 1: Calculated bulk band structure, DOS and WCC evolution of RhBi2.
From: Discovery of a weak topological insulating state and van Hove singularity in triclinic RhBi2
a-b Crystal structure of triclinic RhBi2 with different orientations (Bi:blue spheres, Rh: yellow spheres). c Bulk band structure of RhBi2 in the triclinic crystal structure (space group 2) calculated in DFT-PBE with SOC. The top valence band according to electron filling is in blue. d Density of states (DOS) projected on Rh and Bi. e 3D Fermi surface at the (EF) with eight time-reversal invariant momentum (TRIM) points and reciprocal lattice vectors labeled. Electron and hole pockets are in cyan (red inside) and purple (green inside) respectively. f 3D FS viewed along b1 axis with projection of TRIM points and 2D reciprocal lattice vectors labeled. g and h Wannier charge center (WCC) evolution on the k3=0.0 and 0.5 planes, respectively, showing the non-trivial topology.
