Room temperature ferromagnetism in D–D neutron irradiated rutile TiO(2) single crystals

Room temperature ferromagnetism (RTFM) was observed in unirradiated rutile TiO(2) single crystals prepared by the floating zone method due to oxygen vacancy (V(O)) defects. D–D neutrons mainly collide elastically with TiO(2), producing V(O), titanium vacancies (V(Ti)) 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 (M(s)) 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 TiO(2). V(O) induces a 2.39 μ(B) magnetic moment, Ti(3+) and F(+) induce 1.28 μ(B) and 1.70 μ(B) magnetic moments, respectively, while V(Ti) induces a magnetic moment of ∼4 μ(B). Combining experimental and theoretical results, increases in V(O) concentration lead to M(s) increases; more V(O) combine with electrons to form F(+), inducing a smaller magnetic moment. V(O) and V(Ti) play a key role and M(s) changes accordingly with larger fluence. V(O), F(+) and V(Ti) are the most likely origins of RTFM.