The quest for new Zintl phases with promising thermoelectric properties has gained
significant momentum recognitions to the precision of computational predictions. Our study …

In the present investigation, we have examined the structural, optoelectronic and
thermoelectric properties of the compound ZnCrX 2 (X= S, Se, Te) using the full potential …

In current report, the structural, magnetic, and thermoelectric properties of RE doped MgPm
2 X 4 (X= S, Se) spinels were investigated. The energy difference in ferromagnetic and …

Abstract The Zintl compound EuMg 2 Sb 2 is a promising thermoelectric material due to its
inherently low lattice thermal conductivity and tunable electronic and thermal properties …

The instability of organic-inorganic perovskites in the presence of heat, light, or moisture
coupled with the presence of carcinogenic lead (Pb) motivated researchers to look for …

Zintl phases are prominent for their attribution to optical and thermoelectric meeds. AMg 2 N
2 (A= Yb, Sm, Eu) compounds of the zintl family were investigated through first-principles …

Computational calculations using density functional theory (DFT) were performed for the first
time using the full potential linearized augmented plane wave plus local orbital method (FP …

A comprehensive study of lead-free halide double perovskite using density functional theory
(DFT) including structural, electronic, dynamical, mechanical, optical, and thermoelectric …

Zintl phase compounds are emerging candidates for solar cells due to their unique
electronic structure and favorable optoelectronic characteristics. In the present …

The key solution to the now-a-days energy crisis is the conversion of waste heat into useful
electrical energy. In this work, the structural, electronic, and thermoelectric characteristics of …