Bound magnetic polarons in Fe-doped rutile TiO2.

A. MUDARRA NAVARRO, C. RODRIGUEZ TORRES, L. A. ERRICO; M. WEISSMANN

Buenos Aires

Workshop; X-LAW3M, Latin American Workshop on Magnetism, Magnetic Materials and their Applications; 2013

In this work we present an ab ibitio study of Fe-doped TiO2. We explore the roles of oxygen vacancy and electron doping in mediating the magnetic ordering in this system. We show that two Fe dopants can be stabilized energetically around an oxygen vacancy, and are ferromagnetically coupled to form a bound magnetic polaron. In addition, the combined roles of oxygen vacancy and electron doping in mediating local and nonlocal magnetic ordering is discussed using to different methods to simulate the electron doping: adding electrons to the systems and co-doping Fe-TiO2 with donor impurities.