Abstract:The solid-state Cd0.75X0.25Te (X= Cu, Ag, and Au) solutions crystallize in the cubic structure and are studied in the framework of density functional theory. The theoretical first-principle calculations of the electronic band structure, density of states, and refractive index of solid-state Cd0.75X0.25Te (X= Cu, Ag, and Au) solutions are estimated by the generalized gradient approximation (GGA). A Perdew–Burke–Ernzerhof functional (PBE) was utilized. Formation energy is calculated based on the results of the t… Show more
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