First-principles analysis of the physical properties of XAcTe2 (X = Li, Na) Heusler alloys for optoelectronic and thermoelectric devices
Quratul Ain, Mahvish Shaheen, Syed Zuhaib Haider Rizvi, Moeen Ud Din, Hudabia Murtaza, M. A. Saeed, Junaid Munir
Topics & Concepts
Materials scienceThermoelectric effectDensity functional theoryOptoelectronicsPhononBand gapElectronic band structureCondensed matter physicsElectronic structureDirect and indirect band gapsThermoelectric materialsAnisotropyThermal conductivityThermodynamicsChemistryComputational chemistryOpticsComposite materialPhysicsHeusler alloys: electronic and magnetic propertiesAdvanced Thermoelectric Materials and Devices2D Materials and Applications