Fig. 5: Tight-binding fit of the DFT bands at interlayer separations.
From: Heavy fermions vs doped Mott physics in heterogeneous Ta-dichalcogenide bilayers
Data for dint = 7.0 Å (upper), dint = 6.5 Å (middle), and dint = 6.3 Å (lower panels). The fit is shown for the majority spin components (left column) and minority spin components (right columns). Tight-binding bands are shown as solid lines. The DFT bands are shown as dots, where the dot size visualizes the \({d}_{{z}^{2}}\) orbital weight from the T-layer. The fitted hybridizations between T- and H-layer, V1, are indicated in the respective rows. The on-site energies for majority (minority) spin found in the TB fits are ϵT = −15 meV (ϵT = 80 meV) at dint = 7.0 Å, ϵT = −15 meV (ϵT = 60 meV) at dint = 6.5 Å, and ϵT = 10 meV (ϵT = 20 meV) at dint = 6.3 Å.
