Investigating the physical properties of lead-free halide double perovskites Cs2AgXBr6 (X = P, As, Sb) for photovoltaic and thermoelectric devices using the density functional theory
Mufeed Maghrabi, Anas Y. Al‐Reyahi, Nabil Al-Aqtash, Said M. Al Azar, Adel A. Shaheen, Ahmad Mufleh, Bashar Shaban
Topics & Concepts
Thermoelectric effectMaterials scienceDensity functional theoryWIEN2kBand gapThermoelectric materialsFigure of meritAb initioThermoelectric generatorHalideDirect and indirect band gapsAtmospheric temperature rangeOptoelectronicsCondensed matter physicsThermal conductivityLocal-density approximationThermodynamicsComputational chemistryInorganic chemistryComposite materialChemistryOrganic chemistryPhysicsPerovskite Materials and ApplicationsChalcogenide Semiconductor Thin FilmsAdvanced Thermoelectric Materials and Devices