DFT calculations on physical properties of the lead-free halide-based double perovskite compound Cs2CdZnCl6

First‐principles calculations of structural, elastic and electronic properties of Ni₂MnZ (Z = Al, Ga and In) Heusler alloys

Exploring the versatile properties of Cs2BʹGeF6 (Bʹ: Sn, Pb) double perovskites: Insights into their mechanical stability, optoelectronic potential, and high thermoelectric performance

A comprehensive computational investigations on the physical properties of TiXSb (X: Ru, Pt) half‐Heusler alloys and Ti₂RuPtSb₂ double half‐Heusler

DFT assessment on stabilities, electronic and thermal transport properties of CoZrSb1−xBix half-Heusler alloys and their superlattices

First‐principles calculations to investigate structural stabilities, mechanical and optoelectronic properties of NbCoSn and NbFeSb half‐Heusler compounds