Magnetic properties and electronic structure of transition metal adsorbed polar-ZnO surfaces: Ab initio calculations

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作者
Kim, Yoon-Suk [1 ]
Lee, Sung-Ho [2 ]
Im, Jong-In [3 ]
Chung, Yong-Chae [1 ]
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[1] Department of Materials Science and Engineering, Hanyang University, Seoul 133-791, Korea, Republic of
[2] Central R and D Institute, Samsung Electro-Mechanics Co., Ltd., Suwon 443-743, Korea, Republic of
[3] Korea Institute of Ceramic Engineering and Technology, Seoul 153-801, Korea, Republic of
关键词
The magnetic and electronic properties of the polar-ZnO surface system with adsorbed manganese and cobalt were investigated using the ab initio projector-augmented-wave method. It is found that the Mn and Co adsorbed polar-ZnO surfaces show stable ferromagnetism. The O-terminated ZnO:Mn surface system is predicted to have a half-metallic property with a wide spin band gap and stable ferromagnetism of 4.98 μB magnetic moment; which is a desirable property for application to spintronic devices. © 2007 The Japan Society of Applied Physics;
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页码:6312 / 6314
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