Abstract
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.
Original language | English |
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Pages (from-to) | 110-114 |
Number of pages | 5 |
Journal | Applied Surface Science |
Volume | 356 |
DOIs | |
State | Published - Nov 30 2015 |
Externally published | Yes |
Funding
The authors would like to thank for the continuous funding support of the National Science and Technology Major Project of the Ministry of Science and Technology of China ( 2013ZX04008011 ). Figs. 1 and 5 were generated using the VESTA program [54] .
Funders | Funder number |
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Ministry of Science and Technology of China | 2013ZX04008011 |
Keywords
- Blue phosphorene
- Doping
- First-principles
- Light non-metallic atom
- Spintronics