Effect of Surface Functionalization on the Magnetization of Fe<sub>3</sub>O<sub>4</sub> Nanoparticles by Hybrid Density Functional Theory Calculations
Enrico Bianchetti, Cristiana Di Valentin
Abstract
3d states. Only multidentate bridging ligands hamper the spin-canting process by establishing additional electronic channels between octahedral Fe ions for an enhanced ferromagnetic superexchange interaction. The presence of anchoring organic acids also interferes with structural disorder, by disfavoring surface reconstruction.
Topics & Concepts
SuperexchangeDensity functional theorySpin cantingMagnetizationNanoparticleAdsorptionSurface modificationOctahedronFerromagnetismChemical physicsChemistryMaterials scienceIonComputational chemistryNanotechnologyCrystallographyPhysical chemistryCrystal structureCondensed matter physicsOrganic chemistryPhysicsQuantum mechanicsMagnetic fieldIron oxide chemistry and applicationsMagnetic Properties and Synthesis of FerritesMultiferroics and related materials