Ground state electronic structure, optical and thermoelectric response of Zintl phase MgAl2X2 (X= C, Sb) for renewable energy applications
Kaneez Fatima, Quratul Ain, Lawal Mohammed, Muhammad Jamil, Abdul Munam Khan, Masood Yousaf, Junaid Munir
Topics & Concepts
Thermoelectric effectFigure of meritDensity functional theoryMaterials scienceBand gapZintl phaseElectronic band structureOptoelectronicsCondensed matter physicsDirect and indirect band gapsChemistryComputational chemistryThermodynamicsCrystal structureCrystallographyPhysicsMXene and MAX Phase MaterialsHeusler alloys: electronic and magnetic propertiesAdvanced Thermoelectric Materials and Devices