Optoelectronic Properties of CuCoMnZ (Z=Si, Sn, Sb): A DFT Study

The first principles calculations based on density functional theory computed in Wien2k package using full-potential linearized augmented-plane wave (FP-LAPW) method to explore the electronic and optical properties of CuCoMnZ (Z=Si, Sb, Sn) equiatomic quaternary Heusler alloys (QHAs). The exchange and correlation functional are dealt with in the frame work of generalized gradient approximation modified by Perdew–Burke–Ernzerhof. The electronic band structure of our QHAs in spin up and down channels showed the overlapping of valence states with conduction states, which confirms the metallic nature of our alloys. The optical properties, like refraction, reflectivity, complex dielectric function, optical conductivity, absorption and eloss are also investigated over the wide range of incident photon energies, which revealed the effectiveness of CuCoMnZ (Z=Si, Sn, Sb).