First principle investigations of structural and optoelectronic properties of CdMgO2

In order to determine the CdMgO2 ternary compound potential use as a photovoltaic material, we examine its optoelectronic properties in this work. The structural, optical, and electrical characteristics of CdMgO2 are computed using the Wien2k program and the first principle method, DFT. In this study, we consider Perdew-Burke-Ernerhof generalised gradient to estimate band gap values. The band structure and density of states of CdMgO2 determine its electronic characteristics. The obtained band gap of CdMgO2 is 0.98 eV that demonstrates semiconductor nature. Some variables, including dielectric constant, absorption, reflectivity, and refraction, are utilized to analyze the optical characteristics of CdMgO2.