Electronic band structure, phase stability, magnetic and thermoelectric characteristics of the quaternary Heusler alloys CoCuZrAs and CoRhMoAl: Insights from DFT computations
Muhammad Mushtaq, Saubia Khalid, M. A. Sattar, R. Khenata, T. Seddik, Sajad Ahmad Dar, Iltaf Muhammad, S. Bin Omran
Topics & Concepts
Magnetic momentDensity functional theoryCondensed matter physicsFerromagnetismFermi levelMaterials scienceElectronic structureValence electronSpin polarizationSpin (aerodynamics)Band gapSpin magnetic momentElectronic band structureHalf-metalElectronPhysicsChemistrySpintronicsComputational chemistryThermodynamicsQuantum mechanicsHeusler alloys: electronic and magnetic propertiesMXene and MAX Phase MaterialsAdvanced Thermoelectric Materials and Devices