Insight into the structural, mechanical, electronic and optical properties of X2CuAsF6 (X = Na, K) double perovskites for high energy applications employing DFT
Nasir Rahman, Mudasser Husain, Wasi Ullah, Ahmed Azzouz‐Rached, Yazen M. Alawaideh, Hind Albalawi, Zahra Bayhan, Sarah A. Alsalhi, Norah Algethami, Rekab-Djabri Hamza
Topics & Concepts
Materials scienceDensity functional theoryEngineering physicsCondensed matter physicsNanotechnologyPhysicsChemistryComputational chemistryHeusler alloys: electronic and magnetic propertiesMagnetic and transport properties of perovskites and related materialsThermal Expansion and Ionic Conductivity