A first-principles study of the substitutional doping of the MgCl<sub>2</sub> monolayer for spintronics applications
Igo T. Lima, Railson Vasconcelos, Ricardo Gargano, Edson Nunes Costa Paura
Abstract
Based on first-principles calculations, we studied the functionalization of the MgCl<sub>2</sub> monolayer with nonmetal (NM) and transition-metal (TM) atoms.
Topics & Concepts
NonmetalChemistryMonolayerSpintronicsDopingTransition metalNanotechnologySurface modificationCondensed matter physicsCrystallographyMetalChemical physicsPhysical chemistryFerromagnetismOrganic chemistryCatalysisPhysicsMaterials scienceBiochemistry2D Materials and ApplicationsMXene and MAX Phase MaterialsHeusler alloys: electronic and magnetic properties