First-principles calculations to investigate lead-free double perovskites CsInSbAgX6 (X = Cl, Br and I) for optoelectronic and thermoelectric applications
Soukaina Bouhmaidi, A. Harbi, Redi Kristian Pingak, A. Azouaoui, M. Moutaabbid, Larbi Setti
Topics & Concepts
Thermoelectric effectChemistryDensity functional theoryBand gapOptoelectronicsAbsorption (acoustics)Thermoelectric materialsElectronic band structureDirect and indirect band gapsComputational chemistryCondensed matter physicsMaterials scienceThermodynamicsPhysicsComposite materialPerovskite Materials and ApplicationsThermal Expansion and Ionic ConductivityAdvanced Thermoelectric Materials and Devices