Table 5. Energy Band Gap Values, Eg, of Tl2HgGeSe4 Calculated by Different Models.
| model used in the calculations | Eg, eV |
|---|---|
| GGA | 0.560 |
| GGA + U | 0.576 |
| MBJ | 1.105 |
| MBJ + U + SO | 1.114 |
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