Induced effects by the substitution of Zn in Cu2ZnSnX4 (X = S and Se)

Guohua Zhong, Kinfai Tse, Yiou Zhang +7

Based on the density functional theory with hybrid functional approach, we have studied the structural and thermodynamic stabilities of Cu2MSnX4 (M = Zn, Mg, and Ca; X = S and Se)…