Fig. 3

Lattice induced band convergence. a The valence band energy difference between L and Σ of PbTe as a function of lattice constant. The vertical lines indicates the lattice constants of experimental PbTe and fully relaxed Li2TlBi and Li2InBi. b Band structure (blue: valence band; red: conduction band) of PbTe along K-Γ-L direction. c High symmetry points/line of the first Brillouin zone of \(Fm\bar 3m\)