A study of the electronic structures and optical properties of CuXTe2 (XÂ =Â Al, Ga, In) ternary semiconductors

► The electronic structure and optical properties of CuXTe2 (X = Al, Ga, In) have been compared in detail. ► All the CuXTe2 (X = Al, Ga, In) compounds are characterized by similar optical spectra with some anisotropy effects. ► CuGaTe2 and CuInTe2 are predicted to be promising for photovoltaic solar cell materials.