P (Buckled) – Phosphorus – Group V

Experimental Properties Table

Crystal Structure

a1	3.28 Å
a2	3.28 Å
Buckling Δ	1.24 Å
d1	2.26 Å

Bandstructure

	PBE	HSE
Valence Band Maximum	-6.09 eV	-6.54 eV
Conduction Band Minimum	-4.11 eV	-3.81 eV
Band Gap	1.98 eV	2.73 eV