Optoelectronic investigation of lithium di-manganese oxide with doping of Nickel via Li1-xNixMn2O4 where X= 4 % and 8% composition and their application

Spinel Compounds have potential applications in electrical and optoelectronics fields. In this study, we explore the electronic and optical properties of Li1-xNixMn2O4 where (x ​= ​4% and 8%) are calculated by first-principles method based on the approximation known as the GGA ​+ ​U (U is the Hubbard parameter). The local density approximation (LDA) and generalized gradient approximation (GGA) do not treat properly the transition metal. Therefore we have used the GGA ​+ ​U. The band-gap-dependent optical characteristics such as dielectric constant, reflectivity, optical conductivity and, refractive index are calculated and examined. The replacement of the cation is observed and investigated for the studied compound and a prominent change is noticed. The reinforcement of the cation percentage of Ni reduces the band-gap and its dependent optical parameters. For device fabrication in different regions of the spectrum, this variation is highly recommended. [Display omitted] •In this study we explore the electronic and optical properties of Li1-xNixMn2O4.•The band gap dependent optical characteristics are calculated and examined.•The replacement of the cation is observed and noticed a prominent change is noticed.•The reinforcement of the cation percentage of Ni reduces the band gap.•For device fabrication in different regions of the spectrum this variation is highly recommended.