As (Puckered) – Arsenene – Group V
Crystal Structure
| a1 | 4.72 Å |
| a2 | 3.67 Å |
| Buckling Δ | 2.41 Å |
| d1 | 2.51 Å |
| d2 | 3.84 Å |
Bandstructure
| PBE | HSE | |
|---|---|---|
| Valence Band Maximum | -4.41 eV | -4.96 eV |
| Conduction Band Minimum | -3.86 eV | -3.71 eV |
| Band Gap | 0.55 eV | 1.25 eV |