Tailoring the optoelectronic, thermoelectric, and thermodynamic properties of rare-earth quaternary chalcogenides: An inclusive first-principles study
Muhammad Salman Khan, Banat Gul, Ghlamallah Benabdellah, Bashir Ahmad, Munirah D. Albaqami, Saikh Mohammad Wabaidur, Hijaz Ahmad
Topics & Concepts
Materials scienceBand gapOptoelectronicsSemiconductorThermoelectric effectDensity of statesDensity functional theoryElectronic band structureAntibonding molecular orbitalDirect and indirect band gapsCondensed matter physicsElectronic structureAtomic orbitalChemical physicsThermodynamicsComputational chemistryElectronPhysicsChemistryQuantum mechanicsChalcogenide Semiconductor Thin FilmsQuantum Dots Synthesis And PropertiesCrystal Structures and Properties