Table 2 Band Gaps of Monolayer of VA Elements.
Element | N | P | As | Sb | Bi | |
|---|---|---|---|---|---|---|
Without SOC | Band gap/eV | 3.70 | 1.97 | 1.59 | 1.26 | 0.55 |
Gap type | Indirect | Indirect | Indirect | Indirect | Direct | |
VBM | Not Γ | Not Γ | Γ | Γ | Γ | |
CBM | Not Γ | Not Γ | Not Γ | Not Γ | Γ | |
With SOC | Band gap/eV | 3.70 | 1.97 | 1.81 | 1.00 | 0.43 |
Gap type | Indirect | Indirect | Indirect | Indirect | Indirect | |
VBM | Not Γ | Not Γ | Γ | Γ | Not Γ | |
CBM | Not Γ | Not Γ | Not Γ | Not Γ | Γ | |
Change of band gap due to SOC/eV | 0.00 | 0.01 | 0.21 | −0.26 | −0.12 | |
