DFT insights of mechanical, optoelectronic and thermoelectric properties for Cs2ScTlX6 (X = Cl, Br, I) double perovskites
Nazia Erum, Javed Ahmad, Muhammad Azhar Iqbal, Muhammad Ramzan
Topics & Concepts
Materials scienceThermoelectric effectDensity functional theoryThermoelectric materialsRefractive indexLattice constantAnisotropyBulk modulusCondensed matter physicsOptoelectronicsThermodynamicsOpticsThermal conductivityDiffractionComputational chemistryChemistryComposite materialPhysicsPerovskite Materials and ApplicationsHeusler alloys: electronic and magnetic propertiesAdvanced Thermoelectric Materials and Devices