P (Puckered) – Phosphorus – Group V
Crystal Structure
a1 | 4.55 Å |
a2 | 3.31 Å |
Buckling Δ | 2.11 Å |
d1 | 2.22 Å |
d2 | 3.52 Å |
Bandstructure
PBE | HSE | |
---|---|---|
Valence Band Maximum | -4.87 eV | -5.51 eV |
Conduction Band Minimum | -4.01 eV | -3.98 eV |
Band Gap | 0.86 eV | 1.53 eV |