Nano-magnetite;Optimization and Characterization

Abstract

Nanoparticles of magnetite were synthesized usingaqueous chlorides solutions via coprecipitation technique. The structure and crystallite size of the precipitate were inspected and analyzedregarding X-ray diffraction. Cation distribution of magnetite of the form (Fe3+ (2-x) Fe2+ y) {Fe2+ (1-y) Fe3+ x}has been proved and optimized where the cation parameters X and ywere determined using the experimental value of magnetite magnetic moment.Spin-Orbit coupling calculations based on density functional theory were applied.Full optimization was considered and the most stable configuration was proffered.The density of states of magnetite was calculated.The inclination of half metallicity of magnetite was scrutinized. DC electrical resistanceofpressed disk shape magnetite nanoparticles was measured at room and elevated temperatures. The results are discussed andanalyzed in terms of DOS and cation distribution.