Structural, optoelectronic and elastic properties of quaternary perovskites CaPd3B4O12 (B = Ti, V)

Perovskites CaPd3B4O12 (B = Ti, V) are studied theoretically using generalized gradient approximation (GGA), GGA-modified Becke–Johnson (GGA-mBJ), GGA with spin-orbit coupling (GGA + SOC) and hybri...