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. 2020 Aug 10;11:4004. doi: 10.1038/s41467-020-17465-1

Fig. 3. Orbital texture of flat bands and effective Wannier wave function.

Fig. 3

a, c High-resolution band structure of CoSn along Γ–M and Γ–K–M high-symmetry directions, respectively. The data are measured with 128 eV photons, which probes band structure at kz = 0 plane. b, d Corresponding DFT band structures. Cyan and orange lines, respectively, mark two flat bands arising from dxz/dyz and dxy/dx2 y2 orbital degrees of freedom. Experimental dispersion of the flat bands (marked with orange and cyan arrows in a, c) are well reproduced by the calculation. The Dirac point at K are marked with white dots in c. e, f Orbital textures of the effective Wannier states constructed from the flat bands with dxz/dyz and dxy/dx2 y2 orbitals, respectively. Length scale of the orbitals at each site is proportional to the orbital wave functions in the majority spin channel. Insets of e, f display the decay of total charge density (including the contribution from other orbitals) of the Wannier functions away from the central hexagon.