Table 2 Estimated values of band gap and nature of these alloys in GGA and TB-mBJ methods.
From: Impact of halide variation on the optoelectronic properties of double perovskites
Compound | Method | Bandgap [eV] | Nature | Band transition |
|---|---|---|---|---|
\(Cs_{2}AgBiBr_{6}\) | GGA | 1.35 | Indirect | \(L-X\) |
mBJ | 1.80 | Indirect | \(L-X\) | |
Experimental | 2.02 | Indirect | Â | |
\(Cs_{2}AgBiCl_{6}\) | GGA | 1.55 | Indirect | \(L-X\) |
mBJ | 2.90 | Indirect | \(L-X\) | |
Experimental | 2.50 | Indirect | Â |
