First-principles calculations on structural, electronic, elastic, optical and thermoelectric properties of thallium based chloroperovskites TlMCl3 (M = Zn and Cd)
Soukaina Bouhmaidi, A. Azouaoui, N. Benzakour, A. Hourmatallah, Larbi Setti
Topics & Concepts
Thermoelectric effectMaterials scienceDensity functional theoryBand gapFigure of meritThermoelectric materialsElectronic structureAnisotropyElectronic band structureSemiconductorCondensed matter physicsThermodynamicsOptoelectronicsChemistryComputational chemistryOpticsPhysicsSolid-state spectroscopy and crystallographyHeusler alloys: electronic and magnetic propertiesOptical properties and cooling technologies in crystalline materials