First-principles study of the band gap tuning and doping control in CdSexTe1−x alloy for high efficiency solar cell

First-principles study of the band gap tuning and doping control in CdSe_xTe_1−x alloy for high efficiency solar cell

Yang Jingxiu^{1, 2}, Wei Su-Huai^{2, †}

The effective formation energies of Cu Cd 0 (a), Cu Cd − 1 (b) and the corresponding effective transition energy level (c) in CdSe_xTe_1−x alloys (x = 0, 0.25, 0.375, 0.5, 0.75, and 1) at the low temperature limit, the high temperature limit, and a finite temperature T = 600 K. The Fermi level in panel (b) is set at 0. (d) The effective formation energy of Cu_Cd as a function of the Fermi energy in the CdSe_0.375Te_0.625 alloy at the low temperature limit, the high temperature limit, and a finite temperature T = 600 K.