Bound magnetic polarons in Fe-doped rutile TiO2

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

Buenos Aires

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

UBA, Dtpo de Fisica CNEA

Recently a combined theoretical and experimental study enable us to characterize the local structure around transition metal impurities in rutile TiO2 unambiguously and support the conclusion that oxygen vacancies are fundamental for the ferromagnetic response of these systems [3]. 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 codoping Fe-TiO2 with donor impurities. [1] A. Mauger and C. Godart, Phys. Rep. 141, 51 (1986); L. Treitinger, H. Göbel and H. Pink, Mater. Res. Bull. 11 1375 (1976); E. Steigmeier and G. Harbeke, Phys. Kondens. Mater. 12, 1 (1970). [2] W. K. Park, R. J. Ortega-Hertogs, J. S. Moodera, A. Punnoose, and M. S. Seehra, Appl. Phys. Lett. 91, 8093 (2002). [3] A. Mudarra Navarro, L. A. Errico, C. Rodriguez Torres, A. F. Cabrera, V. Bilovol, M. Rentería and M. Weissmann, Ferromagnetism in transition metal doped rutile TiO2, in Rutile: Properties, Synthesis and Applications". Nova Science, 159-194, 2012.