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First-principles calculation of electronic structure and magnetic properties of copper adsorbed polar-ZnO surface

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2 Author(s)
Kim, Yoon-Suk ; Department of Materials Science and Engineering, Hanyang University, Seoul 133-791, Korea ; Chung, Yong-Chae

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The electronic structure and magnetic properties of a Cu adsorbed polar-ZnO surface system were investigated using the ab initio projector-augmented-wave method. It is found that the H3 site is the most stable adsorption site of Cu adsorbed polar-ZnO surfaces with stable ferromagnetism. The Zn-terminated ZnO:Cu surface system (H3 site adsorption) is predicted to have a half-metallic property and stable ferromagnetism of 0.72 μB magnetic moments.

Published in:

Journal of Vacuum Science & Technology B: Microelectronics and Nanometer Structures  (Volume:25 ,  Issue: 6 )