This study presents some physical properties of fluoroperovskite NaQF3 (Q= Ag, Pb, Rh, and
Ru) compounds computed with the help of the first‐principle study. Fundamental structural …

The structural, mechanical, and electronic properties of perovskite molybdates are a topic of
frequent study in materials science. In this study, the influence of Mg doping on the physical …

Using the full-potential linearized augmented plane wave (FP-LAPW) method, dependent on
density functional theory, the simple cubic ternary fluoroperovskites XZnF3 (X= Al, Cs, Ga …

Wide-band gap semiconductors are very interesting due to their high frequency applications.
Perovskite have proved to be most stable structures useful for many applications eg solar …

The structural and magneto-elastic properties of quadruple perovskites CaCu3B2Os2O12
(B= Mn-Ni) are investigated through density functional theory (DFT) and the Heisenberg …

Structural, electronic, elastic and magnetic properties of CaCu 3 Mn 4-x Ir x O 12 (x= 0, 2 and
4) along with the optical properties of CaCu 3 Mn 4 O 12 perovskites have been carried out …

Ab initio calculations of Ag-based fluoroperovskite AgMF 3 (M= Co and Ni) compounds are
investigated using the full-potential linearized augmented plane wave method. Wien2k and …

This study presents a theoretical prediction of the structural, mechanical, electronic and
thermal properties of the zinc-based Perovskites (AgZnF 3 and KZnF 3) within the framework …

Structural, optoelectronic, elastic and thermoelectric properties of (Sr 3 N) Sb and (Sr 3 N) Bi
perovskites are investigated by density functional theory. The calculated structural properties …

Structural, electronic, elastic and magnetic properties of Ln3QIn (Ln= Ce, Pr and Nd; Q= C
and N) anti-perovskites were studied using density functional theory. The measured …