First-principles investigation of Cs2TlGaX6 (X = Cl, F) double perovskites: structural and dynamical stability, elastic properties, and optoelectronic characteristics for applications in semiconductor technology
Nasir Rahman, Mudasser Husain, Younas Ahmad, Ahmed Azzouz‐Rached, Bashar M. Al-khamiseh, Muhammad Asad, Akhlaq Hussain, Rashid Ahmad, Rekab-Djabri Hamza, Vineet Tirth, Khamael M. Abualnaja, Ghaida Alosaimi, Q. Humayun, Soufyane Belhachi, Ayesha Samreen, Muhammad Uzair
Topics & Concepts
SemiconductorBand gapMaterials sciencePhotonicsWIEN2kOptoelectronicsDirect and indirect band gapsThermoelectric effectPhononStructural stabilityElectronic band structureCondensed matter physicsElectronic structureThermodynamicsPhysicsLocal-density approximationStructural engineeringEngineeringPerovskite Materials and ApplicationsHeusler alloys: electronic and magnetic propertiesThermal Expansion and Ionic Conductivity