Room temperature ferromagnetism in D-D neutron irradiated rutile TiO2single crystals

Abstract

Room temperature ferromagnetism (RTFM) was observed in unirradiated rutile TiO2single crystals prepared by the floating zone method due to oxygen vacancy (VO) defects. D-D neutrons mainly collide elastically with TiO2, producing VO, titanium vacancies (VTi) and other point defects; the density and kind of defect is related to the neutron irradiation fluence. D-D neutron irradiation is used to regulate the concentration and type of defect, avoiding impurity elements. As the irradiation fluence increases, the saturation magnetization (Ms) first increases, then decreases and then increases. To verify the origin of RTFM, the CASTEP module was used to calculate the magnetic and structural properties of point defects in TiO2. VOinduces a 2.39?Bmagnetic moment, Ti3+and F+induce 1.28?Band 1.70?Bmagnetic moments, respectively, while VTiinduces a magnetic moment of ?4?B. Combining experimental and theoretical results, increases in VOconcentration lead to Msincreases; more VOcombine with electrons to form F+, inducing a smaller magnetic moment. VOand VTiplay a key role and Mschanges accordingly with larger fluence. VO, F+and VTiare the most likely origins of RTFM. © The Royal Society of Chemistry 2020.