2 Computational Details:
SrTiO3 cubic structure belongs the Pm3m space group at
room temperature. In this article electronic and structural properties
of SrTiO3 plus its Ag doped sample were studied using
technique of DFT. The CASTEP code was used for this, which made it
simple to measure and compute the physical properties of a perovskite
like SrTiO3. We research the impact of optical
properties on dielectric constant in this software, as well as many
other physical properties, but electrical, optical, structural, and
electronic properties were our main concerns. First, we described and
optimized the geometry of our perovskite, and then we used CASTEP to
measure the physical properties of SrTiO3 [9,10].
Ground state properties and pseudo-physical properties were discovered
using DFT. K-points pieces of Brillouin zone testing for unmixed and
mixed SrTiO3 were set at 2×2×1 on the Monkhorst Pack
grid [11-12].