Structural, electronic, optical, and thermoelectric properties of CsPbI3-yBry (y = 0.5, 1.5, 2.5) compounds: First-principle study

Susan Sadat Ahmadi, Peiman Amiri, Hamdollah Salehi

2023Journal of the Taiwan Institute of Chemical Engineers18 citationsDOI

Topics & Concepts

Thermoelectric effectBand gapDirect and indirect band gapsBulk modulusSeebeck coefficientDensity functional theoryLattice constantMaterials scienceSemiconductorHalideHeterojunctionElectronic band structureElectronic structurePerovskite (structure)ChemistryOptoelectronicsCondensed matter physicsComputational chemistryThermodynamicsCrystallographyInorganic chemistryOpticsDiffractionPhysicsComposite materialPerovskite Materials and ApplicationsAdvanced Thermoelectric Materials and DevicesOptical properties and cooling technologies in crystalline materials