Table 2. Summary of Experimental Band Gap, and DFT Modeled Optical and Electronic Properties Including Band Gap and Type, Electron and Hole Masses, and n-Type and p-Type Conductivity Assuming Heavy Doping.
| band gap/eV |
effective
carrier mass |
||||||
|---|---|---|---|---|---|---|---|
| composition | Eg (opt.) | Eg (comp.) | type | m* (hole) | m* (electron) | p-type @1021 cm3/ S cm–1 | n-type @1021 cm3/ S cm–1 |
| Sr2GaO3CuS | 2.43 | 2.03 | indirect | 0.69 | 0.25 | 1850 | 4630 |
| Sr2GaO3CuSe | 1.86 | 1.48 | indirect | 0.56 | 0.24 | 2540 | 4670 |
| Sr2ScO3CuS | 3.17 | 3.07 | indirect | 0.86 | 0.36 | 1790 | 2330 |
| Sr2ScO3CuSe | 2.95 | 2.73 | indirect | 0.63 | 0.31 | 2210 | 2390 |
| Sr2InO3CuS | 2.29 | 1.98 | indirect | 0.95 | 0.24 | 1930 | 4920 |
| Sr2InO3CuSe | 1.88 | 1.61 | indirect | 0.57 | 0.21 | 2410 | 4890 |