Table 4 The calculated band gap (eV) for bulk GaAs, AlAs, and GaAs/AlAs superlattice
DFT | Hybrid DFT | Exp. | |
---|---|---|---|
GaAs | 0.50 (0.54a) | 1.44 (1.36b) | 1.52c |
AlAs | 1.31 (1.33d) | 2.16 (2.24e) | 2.22f |
GaAs/AlAs SL | 1.14 (1.16g) | 2.06 | 2.09h |
DFT | Hybrid DFT | Exp. | |
---|---|---|---|
GaAs | 0.50 (0.54a) | 1.44 (1.36b) | 1.52c |
AlAs | 1.31 (1.33d) | 2.16 (2.24e) | 2.22f |
GaAs/AlAs SL | 1.14 (1.16g) | 2.06 | 2.09h |