An extensive investigation of structural, electronic, thermoelectric and optical properties of bi-based half-Huesler alloys by first principles calculations
Aditya Dey, Ramesh Sharma, Sajad Ahmad Dar
Topics & Concepts
Materials scienceDensity functional theoryBand gapThermoelectric effectSemiconductorFigure of meritBismuthElectronic structureOptical conductivityThermoelectric materialsCondensed matter physicsDirect and indirect band gapsOptoelectronicsAb initio quantum chemistry methodsThermodynamicsComputational chemistryThermal conductivityMetallurgyComposite materialPhysicsChemistryOrganic chemistryMoleculeHeusler alloys: electronic and magnetic propertiesAdvanced Thermoelectric Materials and Devices2D Materials and Applications