Electronic Structures and Magnetic Properties in Ti-Doped ZnO
2013 ◽
Vol 721
◽
pp. 308-311
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Keyword(s):
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.
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pp. 022065