Structural, Electronic, Elastic, Mechanical, and Opto-Electronic Properties for ZnAg₂SnS₄ and ZnAg₂Sn_0.93Fe_0.07S₄ Photocatalyst Effort on Wastewater Treatment through the First Principle Study

Table 3

Band gap for ZnAg₂GeS₄, ZnAg₂SnS₄, and ZnAg₂Sn_0.93Fe_0.07S₄.

Crystals/functional	GGA with PBE (eV)	Ref
ZnAg2GeS4 (parent crystal)	0.93	0.942 eV [17, 26, 52]
Ag2ZnSnS4	1.15	Newly predicted
ZnAg2Sn0.93Fe0.07S4	0.32	Newly predicted