Table 2. The values of coupling parameters from the model Hamiltonian about layers’ coupling which are obtained by fitting the splitting values from Table 1 for 2L-ab, 3L-aba, 3L-abc, 4L-abab and 4L-abca with the different layers and stacking orders.
Stacking way | VB-Γ(eV) |
CB-Λ (eV) |
CB-K (10−2 eV) |
VB-K(10−2 eV) |
||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|
M1 | M2 | M3 | M1 | M2 | M3 | M1 | M2 | M3 | M1 | M2 | M3 | |
2L-ab | 0.3194 | – | – | 0.1529 | – | – | 2.71 | – | – | 3.05 | – | – |
3L-aba | 0.2835 | 0.0850 | – | 0.1432 | 0.0440 | – | 1.89 | 1.81 | – | 2.34 | 1.75 | – |
3L-abc | 0.2515 | 0.0720 | – | 0.1485 | 0.0110 | – | 3.19 | −0.55 | – | 3.46 | −0.40 | – |
4L-abab | 0.2725 | 0.0690 | 0.0230 | 0.1442 | 0.0165 | −0.0150 | 1.80 | 0.62 | −1.70 | 2.20 | 0.69 | −2.02 |
4L-abca | 0.2770 | 0.0690 | 0.0295 | 0.1497 | 0.0095 | 0.0030 | 4.23 | −0.40 | 0.58 | 4.44 | −0.275 | 0.715 |
Note that M1, M2 and M3 represent the nearest-neighbor, second near-neighbor and third near-neighbor layer-coupling parameters, respectively.