Abstract
Using first principles calculations, we investigated interface structure effects on the magnetic properties of the Fe/BaTiO3 system. On the BaO-terminated surface, a Fe monolayer is formed as two Fe atoms are adsorbed on the top sites of Ba and O in the (1×1) surface unit and a Fe monolayer (ML) is formed on the TiO2-terminated surface as two Fe atoms are adsorbed on the two O top sites. The magnetic anisotropy energy of Fe was higher on the TiO2–terminated surface (1.5 eV) than on the BaO-terminated surface (0.5 eV). The decomposed electron density of the states showed that the stronger hybridization of Fe with the TiO2 layer than with the BaO layer is the most important reason for the higher magnetic anisotropy energy.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
