“…To determine the bandgap (E g ) of the system, a Tauc plot (Figure 7) is made by using αhγ = A(hγ À E g ) n , where α is the absorption coefficient, h is the Planck's constant, γ is the frequency of the incident photons, A is an energyindependent proportionality constant, and the exponent n denotes the type of electronic transition between the conduction and valence bands, such as n = 1/2, 2, 3, and 3/2 for direct allowed, indirect allowed, indirect forbidden, and direct forbidden transition, respectively. [38][39][40][41] Since an indirect bandgap is found in KPbF 2 Cl from our calculations, here n = 2 is considered for the Tauc plot (see inset of Figure 7). The intercept of the line along the slope on the hγ axis represents E g with (αhγ) 1/2 equal to zero, providing a bandgap of 4.04 eV.…”