Calculated energy bandgap (in eV) by different potentials LDA, PBE, WC-GGA, PBEsol, mBJ, and mBJ + SOC.
| Properties | LDA | PBE | WC-GGA | PBEsol | mBJ | mBJ + SOC |
|---|---|---|---|---|---|---|
| Sr2ScBiO6 | 2.874 | 2.373 | 2.629 | 2.651 | 3.327 | 3.319 |
| Ref. 30 | 1.077 | 1.837 |
| Properties | LDA | PBE | WC-GGA | PBEsol | mBJ | mBJ + SOC |
|---|---|---|---|---|---|---|
| Sr2ScBiO6 | 2.874 | 2.373 | 2.629 | 2.651 | 3.327 | 3.319 |
| Ref. 30 | 1.077 | 1.837 |