期刊
APPLIED SURFACE SCIENCE
卷 257, 期 17, 页码 7845-7850出版社
ELSEVIER
DOI: 10.1016/j.apsusc.2011.04.042
关键词
Graphene-like; Magnetic; Density functional theory; Nanoelectronics; Semidecoration
类别
资金
- National Natural Science foundation of China [10774091, 20973102]
- National Basic Research Program of China (973 Program) [2007CB613302]
By performing first-principles calculations, the intriguing electronic and magnetic properties of the semidecorated sheets of group-IV and III-V binary compounds are investigated. Our results indicate that the semifluorinated and semihydrogenated ab (ab = SiC, GeC, SnC, BN, AlN, and GaN) sheets exhibit diverse electronic and magnetic properties. Accordingly, the electronic and magnetic properties of the semidecorated sheets can be precisely modulated by controlling the adsorbed atoms on the a sites. Further, the preference of ferromagnetic or antiferromagnetic coupling can be attributed to the combined effects of both through-bond spin polarization and p-p direct interaction for the semidecorated ab sheets. (C) 2011 Elsevier B. V. All rights reserved.
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