期刊
SOLID STATE COMMUNICATIONS
卷 151, 期 17, 页码 1128-1130出版社
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.ssc.2011.05.027
关键词
Surfaces and interfaces; Point defects; Electronic states
资金
- National 973 Program of China [2007CB209702]
- National Natural Science Foundation of China [11004165]
- Natural Science Foundation of Fujian Province of China [2008J04018]
Graphene has proved to be extremely sensitive to its surrounding environment, such as the supporting substrate and guest adatoms. In this work, the structural stabilities, and electronic and magnetic properties of graphene with low-coverage adsorption of Si atoms and dimers are studied using a first-principles method. Our results show that graphene with Si adatoms is metallic and magnetic with a tiny structural change in the graphene, while graphene with Si addimers is semi-metallic and nonmagnetic with a visible deformation of the graphene. The spin-polarized density of states is calculated in order to identify the electronic origin of the magnetic and nonmagnetic states. The present results suggest that the electronic and magnetic behaviors of graphene can be tuned simply via Si adsorptions. (C) 2011 Elsevier Ltd. All rights reserved.
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