Electronic and thermoelectric properties of chalcopyrite compounds Cu2(XY)S4 (X = Zn, Cd and Y = Sn, Pb): first-principles study
Hassan Ahmoum, Mohd Sukor Su’ait, Guoqing Li, Siddheshwar Chopra, M. Boughrara, Q. Wang, M. Kerouad, P. Raics
Topics & Concepts
Thermoelectric effectMaterials scienceSeebeck coefficientFigure of meritDensity functional theoryThermal conductivityBoltzmann constantCondensed matter physicsElectrical resistivity and conductivityValence (chemistry)Thermoelectric materialsElectronic structureChalcopyriteBond lengthThermodynamicsCrystallographyComputational chemistryChemistryPhysicsOptoelectronicsCopperMetallurgyCrystal structureQuantum mechanicsComposite materialChalcogenide Semiconductor Thin FilmsAdvanced Thermoelectric Materials and DevicesQuantum Dots Synthesis And Properties