First-principles investigation of bandgap engineering and stability of LiBeZ (Z = P, As) half-Heusler alloys for optoelectronic and thermoelectric applications
Kefyalew Wagari Guji, Tesfaye Abebe Geleta, Nabil Bouri, Zia Ur Rehman
Abstract
and are suitable materials for thermoelectric devices. In conclusion, the predicted results strongly indicate that LiBeP and LiBeAs could serve as key materials for next-generation photonic, thermoelectric devices, and energy-harvesting devices. Future research should focus on experimental validation and device integration to fully harness their potential.
Topics & Concepts
Thermoelectric effectMaterials scienceOptoelectronicsBand gapThermoelectric materialsThermoelectric coolingElectronic band structureEngineering physicsDensity functional theoryDirect and indirect band gapsThermal stabilityDopingRenewable energyDebye modelAbsorption (acoustics)Atmospheric temperature rangeThermalSolar energyDensity of statesRange (aeronautics)DebyeEnthalpyCondensed matter physicsElectronic structureThermal energyHeusler alloys: electronic and magnetic properties2D Materials and ApplicationsMXene and MAX Phase Materials