期刊
APPLIED SURFACE SCIENCE
卷 356, 期 -, 页码 110-114出版社
ELSEVIER
DOI: 10.1016/j.apsusc.2015.08.009
关键词
First-principles; Light non-metallic atom; Blue phosphorene; Doping; Spintronics
类别
资金
- National Science and Technology Major Project of the Ministry of Science and Technology of China [2013ZX04008011]
First-principles calculations are implemented to study the geometric, electronic and magnetic properties of light non-metallic atom (B, C, N, O and F) substituted blue phosphorene. All the substituted systems are highly stable. The B-substituted system is a direct bandgap semiconductor with a bandgap size about 1.5 eV. The C,O-substituted systems are promising systems to explore two-dimensional diluted magnetic semiconductors. Magnetism is observed for C and O substitution, while for the other impurities no magnetic moment is detected. Our works paves a new route at nanoscale for novel functionalities of optical and spintronics devices. (C) 2015 Elsevier B.V. All rights reserved.
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