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). 
DFT
The exchange-correlation potential was treated with the generalized gradient approximation (GGA) for the structural properties.  The band structure and the density of states calculations with mBJ-GGA predict a metallic nature for SrRhO₃ and an insulating behavior for SrZrO₃. 
GGA
The band structure and the density of states calculations with mBJ-GGA predict a metallic nature for SrRhO₃ and an insulating behavior for SrZrO₃. 
mBJ-GGA