HfSe2 – Hafnium diselenide – Transition Metal Dichalcogenide (TMD)

Crystal Structure

a1	3.76 Å
a2	3.76 Å
d1	2.68 Å
d2	4.62 Å

Bandstructure

	PBE	HSE
Valence Band Maximum	-5.33 eV	-5.76 eV
Conduction Band Minimum	-4.93 eV	-4.74 eV
Band Gap	0.40 eV	1.02 eV