Effect of (Na, Si, Al, K or Ca) doping on the electronic structure and optoelectronic properties of half-Heusler LiMgN alloy: Ab initio framework
Younes Ziat, Zakaryaa Zarhri, Maryama Hammi, Hamza Belkhanchi, Ousama Ifguis, Andrés Domínguez Cano, Alicia Carrillo-Bastos
Topics & Concepts
Ab initioDopingBand gapDopantCondensed matter physicsElectronic band structureAb initio quantum chemistry methodsMaterials scienceConductivityElectronic structureDielectricAlloyPlane waveDensity functional theoryChemistryAnalytical Chemistry (journal)OptoelectronicsComputational chemistryOpticsPhysical chemistryPhysicsMoleculeComposite materialChromatographyOrganic chemistryHeusler alloys: electronic and magnetic propertiesMXene and MAX Phase Materials2D Materials and Applications