Table 2 Main critical points in interband transitions below 3 eV. For the meaning of the parameters in the table, please refer to Fig. 3 and Fig. 8
Type | Location | Interband transition | Direct energy gap △E(NC-NV) | |
|---|---|---|---|---|
1L | P 0 | K (− 0.33, 0.66, 0.00) | NV = 9→NC = 1 | 1.64 eV |
P 0 P 0 | B1(Γ − M)(0.00, 0.16, 0.00) B2(Γ − K)(− 0.10, 0.20, 0.00) | NV = 9→NC = 1 NV =9→NC = 1 | 2.57 eV 2.57 eV | |
2L | P 0 P 0 | K(− 0.33, 0.66, 0.00) K(− 0.33, 0.66, 0.00) | NV = 18→NC = 1, 2 NV = 17→NC=1, 2 | 1.62 eV 1.69 eV |
P 0 | Γ(0.00, 0.00, 0.00) | NV = 18→NC=1, 2 | 2.28 eV | |
3L | P 0 P 0 P 0 | K(− 0.33, 0.66, 0.00) K(− 0.33, 0.66, 0.00) K(− 0.33, 0.66, 0.00) | NV = 27→NC = 1, 2, 3 NV = 26→NC = 1, 2, 3 NV = 25→NC = 1, 2, 3 | 1.61 eV 1.66 eV 1.72 eV |
P 0 | Γ(0.00, 0.00, 0.00) | NV = 27→NC = 1, 2, 3 | 2.21 eV | |
Bulk | P 0 P 0 | K(− 0.33, 0.66, 0.00) K(− 0.33, 0.66, 0.00) | NV = 18→NC = 1, 2 NV = 17→NC = 1, 2 | 1.59 eV 1.73 eV |
P 0 | Γ(0.00, 0.00, 0.00) | NV = 18→NC = 1, 2 | 2.09 eV |