Predictive Study of the Rare Earth Double Perovskite Oxide Ba2ErReO6 and the Influence of the Hubbard Parameter U on its Half-Metallicity
S. Haid, M. Matougui, S. Benatmane, B. Bouadjemi, M. Houari, A. Zitouni, T. Lantri, S. Bentata
Topics & Concepts
WIEN2kSpintronicsHubbard modelCondensed matter physicsMagnetic momentBand gapMaterials sciencePhysicsSpin (aerodynamics)Density functional theoryElectronic structureElectronic band structureLocal-density approximationQuantum mechanicsFerromagnetismThermodynamicsSuperconductivityHeusler alloys: electronic and magnetic propertiesMagnetic and transport properties of perovskites and related materialsThermal Expansion and Ionic Conductivity