Abstract
To resolve the microscopic origin of magnetism in the Fe(2)O(3)/FeTiO(3)system, we have performed density functional theory calculations thattake into account on-site Coulomb repulsion. By systematically varyingthe concentration, distribution, and charge state of Ti in a hematitehost, we compile a phase diagram of the stability with respect to theend members and find a clear preference to form layered arrangements asopposed to solid solutions. The charge mismatch at the interface isaccommodated through Ti(4+) and a disproportionation in the Fe contactlayer into Fe(2+), Fe(3+), leading to uncompensated moments in thecontact layer and giving first theoretical evidence for the lamellarmagnetism hypothesis. This interface magnetism is associated withimpurity levels in the band gap, showing a half-metallic behavior andmaking Fe(2)O(3)/FeTiO(3)-heterostructures prospective materials forspintronics applications.
Sign-in/Register to access full text options 
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.
