DFT aided prediction of phase stability, optoelectronic and thermoelectric properties of A2AuScX6 (A= Cs, Rb; X= Cl, Br, I) double perovskites for energy harvesting technology
Shafi Mahmud, M. A. Ali, M. M. Hossain, M. M. Uddin
Topics & Concepts
Band gapThermoelectric effectDensity functional theorySeebeck coefficientAnalytical Chemistry (journal)Refractive indexMaterials scienceFigure of meritPhase (matter)DielectricChemistryDispersion (optics)Absorption (acoustics)Attenuation coefficientBinding energyOptoelectronicsComputational chemistryAtomic physicsOpticsThermodynamicsPhysicsComposite materialOrganic chemistryChromatographyPerovskite Materials and ApplicationsAdvanced Thermoelectric Materials and DevicesChalcogenide Semiconductor Thin Films