Fig. 4: Charge localization arising from the quasi-1D conduction band.
From: Large exciton binding energy in a bulk van der Waals magnet from quasi-1D electronic localization
a Experimental iso-energy plot in the ΓXSY plane at the conduction band energy at Γ taken at T = 192K (Paramagnetic regime). b Calculated iso-energy plots in the ΓXSY plane at the conduction band minimum. The stripe-like feature is indicative of a quasi-1D electronic structure. c Experimental (solid markers and lines) and calculated (empty markers and dashed lines) energy dispersion of the CB along Γ − X and Γ − Y lines. The markers are band positions found from peak positions of the EDCs. The lines are quadratic fits to the peak positions. The calculated curves have been offset in energy to match the position of the experimental data. scGW calculations of the spatial extent of the dominant orbitals of the bottom conduction band and top valence band viewed along the (d) c- and (e) b-axes. The electrons are localized in 1D chains along the b-axis.
