HfS2 – Hafnium disulfide – Transition Metal Dichalcogenide (TMD)

Crystal Structure

a1	3.64 Å
a2	3.64 Å
d1	2.55 Å
d2	4.45 Å

Bandstructure

	PBE	HSE
Valence Band Maximum	-6.18 eV	-6.74 eV
Conduction Band Minimum	-4.95 eV	-4.75 eV
Band Gap	1.23 eV	1.99 eV