| Citation: |
Song Jiuxu, Yang Yintang, Chai Changchun, Li Yuejin. Electrical Structures of Nitrogen-Doped Zigzag Single-Wall Carbon Nanotubes[J]. Journal of Semiconductors, 2007, 28(10): 1584-1588.
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Song J X, Yang Y T, Chai C C, Li Y J. Electrical Structures of Nitrogen-Doped Zigzag Single-Wall Carbon Nanotubes[J]. Chin. J. Semicond., 2007, 28(10): 1584.
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Electrical Structures of Nitrogen-Doped Zigzag Single-Wall Carbon Nanotubes
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Abstract
Based on the study of the existing form of doped single-walled carbon nanotubes (SWCNT) and the optimization of SWCNT crystal lattice,the band structure and density of states of nitrogen-doped SWCNTs are studied.We take a first-principle ultra-soft pseudopotential approach using plane waves that is based upon density functional theory,and use the CASTEP program package.The results show that the band gap narrows with the increase of nitrogen doping concentration-
Keywords:
- nitrogen doping,
- electrical structures,
- SWCNT,
- first-principles
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References
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Proportional views
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