Theoretical study of the structural, energetic, electronic and magnetic properties of the host matrix LiGa5O8 doped with Cr3+
O.M. Sousa, I.P. Carvalho
Topics & Concepts
DopantDensity functional theoryAtom (system on chip)DopingImpurityValence (chemistry)Ab initioChemistryMagnetic momentCondensed matter physicsElectronic structureAb initio quantum chemistry methodsMaterials scienceAtomic physicsCrystallographyComputational chemistryPhysicsMoleculeEmbedded systemComputer scienceOrganic chemistryAdvancements in Battery MaterialsZnO doping and propertiesLuminescence Properties of Advanced Materials