| CB | Conduction band |
| CBM | Conduction band minimum |
| DFT | Density functional theory |
| GGA | Generalized gradient approximations |
| mBJ | modified Becke–Johnson |
| PBE | Perdew–Burke–Ernzerhof |
| SO | Spin-orbit |
| TMDs | Transition metal dichalcogenides |
| VB | Valence band |
| VBM | Valence band maximum |
| vdW | van der Waals |
| XC | Exchange-correlation |