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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

2023Computational Materials Science37 citationsDOI

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
First-principles analysis of the physical properties of XAcTe2 (X = Li, Na) Heusler alloys for optoelectronic and thermoelectric devices | Litcius