A Computational Investigation on Structural, Mechanical, Electronic, Magnetic, Thermoelectric, and Optical Properties of CrXPb (X = Sc, Ti) Half-Heusler Alloys
Aditya Dey, Ramesh Sharma, Sajad Ahmad Dar, Hafiz Hamid Raza
Topics & Concepts
Materials scienceCondensed matter physicsFigure of meritThermoelectric effectMagnetic momentDensity functional theoryAnisotropyBand gapElectronic band structureSpinsSeebeck coefficientSpin (aerodynamics)Thermoelectric materialsOptoelectronicsThermodynamicsOpticsPhysicsComputational chemistryChemistryHeusler alloys: electronic and magnetic propertiesMXene and MAX Phase MaterialsAdvanced Thermoelectric Materials and Devices