A DFT investigation on optical properties of Mg doped SrMoO3 for optoelectronic applications

The study investigated the optical properties of Mg-doped SrMoO
3
with density functional theories and gave suggestions of the application accordingly. 11.2% of Mg was doped in the Mo sites. Dielectric functions (both imaginary and real values), optical absorption, conductivity, reflectivity, and refractive index were measured with respect to optical frequencies. The results of doping suggest that absorption and conductivity depict higher at the infrared and visible range than pure structure. For these outcomes, the structure is suitable for optoelectronic devices. Both imaginary and real part of the dielectric constants was high at the initial frequencies for the doped structure which confirms the application of using it in the high-value capacitor manufacturing. The property is useful for many microelectronics where the tuning of dielectrics is necessary. The reflectivity and refractive index were found high in the infrared region. These tuned optical properties can be a handful to use this doped structure at many optoelectronic device applications.