Experimental and first-principles study of the origin of the magnetic properties of CoFe2O4 spinel ferrite

CoFe2O4 nanoparticles were prepared by the co-precipitation method, the structural properties were performed using X-Ray Diffraction (DRX) in the goal to prove the success of Cobalt ferrite formation and determine crystal parameters. The size and morphological study were building using Scanning Electron Microscopy (SEM). The magnetic properties were carried using MPMS SQUID device. The CoFe2O4 nanoparticles present a ferromagnetic behavior below their transition temperature and values of 3 mu B of total magnetic moment were achieved under magnetic field of 5 T. Based on the full-potential linearized augmented plane wave (FP-LAPW) method, with the generalized gradient and GGA-PBE approximation, the electronic structure and local magnetic moment were calculated. This theoretical study contributed to a better understanding the role of magnetic interaction sin CoFe2O4 spinel ferrites. Moreover, the theoretical magnetic properties of CoFe2O4 show a good agreement with the experimental results obtained.