期刊
APPLIED SURFACE SCIENCE
卷 305, 期 -, 页码 768-773出版社
ELSEVIER
DOI: 10.1016/j.apsusc.2014.03.195
关键词
Graphene Ferromagnetism n-p Co doping; First principles calculations
类别
资金
- National Science Foundation of China [11104173, 51025101]
- PIT of Shanxi
- program for Changjiang Scholars and Innovative Research Team in University [IRT1156]
We performed first-principles density functional theory calculation to investigate the electronic structures and magnetic properties of Fe/1\102 co-doped graphene. First, our study shows that the Fe/1\102 co-doped graphene preserves the unique linear dispersion of the charge carriers. More importantly, NO2 co-doping is a much effective way to compensate the shifting of EF, which can facilitate the Fe adsorbed graphene systems to retain the unique properties of graphene. Second, magnetic exchange energy calculation finds that long-range ferromagnetic coupling exists between two n-p pairs and the coupling strength can be obviously improved after NO2 co-doping. 2014 Elsevier B.V. All rights reserved.
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