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. 2021 Mar 25;12:1855. doi: 10.1038/s41467-021-22136-w

Fig. 1. Calculated bulk band structure, DOS and WCC evolution of RhBi2.

Fig. 1

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.