Electronic Structures and Magnetic Properties in Ti-Doped ZnO

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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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308-311

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July 2013

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© 2013 Trans Tech Publications Ltd. All Rights Reserved

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