Study of structural, optoelectronic and magnetic properties of Half-Heusler compounds QEuPa (Q= Ba, be, Mg, Sr) using first-principles method
Muhammad Abubakr, Kisa Fatima, Zeesham Abbas, I. Gorczyca, Muhammad Irfan, Shabbir Muhammad, M. A. Khan, Saleh S. Alarfaji
Topics & Concepts
WIEN2kMagnetic momentChemistryElectronic structureDensity functional theoryAtomic orbitalGround stateElectronic band structureDensity of statesCondensed matter physicsInfraredMaterials scienceComputational chemistryAtomic physicsElectronPhysicsLocal-density approximationOpticsQuantum mechanicsHeusler alloys: electronic and magnetic properties2D Materials and ApplicationsChalcogenide Semiconductor Thin Films