We performed all the computations using a self-consistent method based upon density functional theory. We used the PBEsol functional in the GGA to account for the exchange-correlation effects. We introduced a 10-Å vacuum region in the z-direction to avoid interaction between periodic images. We considered non-negligible weak dispersion correction in the lateral heterostructure using Grimme's DFT-D3 approach. In this study, we also computed the electrical and optical properties employing the local modified Becke-Johnson (lmBJ) exchange potential under meta-GGA functional to obtain more precise results.