Computational study of structural, thermoelectric, elastic and optoelectronic properties of new halide perovskites CsRbTeX6 (X = I, Br and Cl) for solar cell applications
A. Harbi, Asma Binte Aziz, M. Moutaabbid
Topics & Concepts
Materials scienceBand gapDirect and indirect band gapsHalideDensity functional theorySolar cellStructural stabilityThermoelectric effectBulk modulusSemiconductorElastic modulusLattice constantAnisotropyElectronic band structureOptoelectronicsCondensed matter physicsComputational chemistryOpticsChemistryDiffractionThermodynamicsComposite materialInorganic chemistryPhysicsStructural engineeringEngineeringPerovskite Materials and ApplicationsAdvanced Thermoelectric Materials and DevicesSolid-state spectroscopy and crystallography