Electronic Structures and Magnetic Properties in Ti-Doped ZnO
Using first-principles calculations based on density functional theory, we investigated systematically the electronic structures and magnetic properties of Ti-doped ZnO. The results indicate that Ti doped ZnO prefers the ferromagnetic ground state and shows a metallic behavior. We found that Ti-doped ZnO is a weak ferromagnet and FM exchange interaction is short-ranged. In addition, it has been found that Ti atoms have a tendency of cluster together around O atoms.
Y. F. Chen et al., "Electronic Structures and Magnetic Properties in Ti-Doped ZnO", Advanced Materials Research, Vol. 721, pp. 308-311, 2013