Investigation of the electronic, structural, optical and thermoelectric properties of ternary chalcopyrite ACuS2(A=Al, Ga and In): Ab initio study
I. Ghazal, H. Absike, A. Rachadi, H. Ez‐Zahraouy
Topics & Concepts
Materials scienceDensity functional theoryTernary operationThermoelectric effectBand gapSeebeck coefficientElectronic band structureIonic bondingDirect and indirect band gapsAb initioElectronic structureCondensed matter physicsOptoelectronicsComputational chemistryThermodynamicsThermal conductivityChemistryIonPhysicsComposite materialProgramming languageOrganic chemistryComputer scienceChalcogenide Semiconductor Thin FilmsAdvanced Thermoelectric Materials and DevicesQuantum Dots Synthesis And Properties