First-Principles Study on Co-Doped ZnO with Oxygen Vacancy

Abstract:

The interatomic exchange interactions and the electronic structure of Co-doped ZnO with and without oxygen vacancy have been investigated by the first-principles calculations based on density functional theory. It is found that the oxygen vacancy can strengthen the ferromagnetic exchange interaction between Co atoms and might be available for carrier mediation. The oxygen vacancy near to the Co atoms is more favorable for the ferromagnetic ground state.

• Periodical: Advanced Materials Research (Volumes 154-155)
• Pages: 124-129
• DOI: https://doi.org/10.4028/www.scientific.net/AMR.154-155.124
• Online since: October 2010
• Authors: Zhen Zhen Weng, Zhi Gao Huang, Wen Xiong Lin
• Keywords: Co-Doped ZnO, First-Principle, Oxygen Vacancy

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