Theoretical search for spintronic and electrochromic device materials based on Li-intercalated transition-metal-doped anatase TiO2 -: art. no. 033202

We have explored the effects of Li intercalation on the electronic and magnetic properties of transition-metal (TM) doped anatase TiO2. By Li intercalation, Mn-doped TiO2 exhibits a insulator to metal transition. On the other hand, Li-intercalated Fe-doped TiO2 has an insulating ground state for a low concentration of Li/Ti =0.067, but a metallic ground state for a high concentration of Li/Ti=0.133. We discuss the n-type carrier induced ferromagnetism in Li-intercalated TM-doped anatase TiO2. Based on the Li-intercalated TM-doped anatase TiO2, we propose a potential spintronic and electrochromic device controlled by an electric field.