Structural, Elastic, Electronic and Optical Properties of SrTMO₃ (TM = Rh, Zr) Compounds: Insights from FP-LAPW Study.

The structural, mechanical, electronic and optical properties of SrTMO₃ (TM = Rh, Zr) compounds are investigated by using first principle calculations based on density functional theory (DFT). The exchange-correlation potential was treated with the generalized gradient approximation (GGA) for the structural properties. Moreover, the modified Becke-Johnson (mBJ) approximation was also employed for the electronic properties.