Novel semiconductor compounds XZrZ (X =Ni, Cu and Z=C, B) suitable for clean energy in optoelectronic and thermoelectric devices
N. Mehtougui, Fatima Bendahma, Y. Rached, M. Mana, D. Rached, M. Caid, A. Boukortt, Y. Ghalem
Topics & Concepts
WIEN2kThermoelectric effectMaterials scienceBand gapDensity functional theoryFigure of meritSeebeck coefficientThermal conductivitySemiconductorOptoelectronicsDirect and indirect band gapsCondensed matter physicsElectronic band structureChemistryLocal-density approximationComputational chemistryThermodynamicsComposite materialPhysicsHeusler alloys: electronic and magnetic propertiesMXene and MAX Phase MaterialsAdvanced Thermoelectric Materials and Devices