4. Conclusion:
In the recent work we applied the first-principles calculations on the basis of DFT to explore the outcomes of Ag on structural analysis, optical and electronic properties of SrTiO3 compound. Our calculated structures match those reported in the literatures and are discussed in the context of Ag-doping. Before doping and after doping of Ag, we measured the band structure of SrTiO3. Furthermore, using the concepts of TDOS and PDOS, the ‘’band structure” both events are thoroughly investigated. After Ag doping, we observe that the Fermi level shifts near to conduction band, similar to activity of n-type degenerate semiconductors. With comparison of pure SrTiO3, the introduction of new Ag DOS at G points leads to the decrease in optical band gap. Moreover, at the conduction band, the partial density of states (PDOS) of SrTiO3 changes generally. As a result, we conclude that Ag doping has an effect on the electronic band structure of SrTiO3. SrTiO3 doping with Ag has improved optical properties and its ability of converting to direct band gap results it in a perfect choice for optoelectronic applications.