Half-metallicity, magnetic moments, and gap states in oxygen-deficient magnetite for spintronic applications

摘要

The electronic structure near oxygen vacancies in half-metallic magnetite has been calculated using first principles methods. Oxygen vacancies are responsible for the existence of gap states occupied by majority and minority spin electrons. We discuss whether these defects modify the spin magnetic moments, the magnetization, the magnetic coupling between Fe ions, and the half-metallic behaviour of magnetite. These results, which contribute to remove stumbling blocks to magnetite-based spintronic devices, could be useful to analyze the conductivity, the magnetotransport and magnetic properties, the electron and optical spectra of actual magnetite electrodes.