By using the first-principles calculations, the electronic structure and quantum transport properties of metallic carbon nanotubes with B/N pairs co-doping have been investigated. It is shown that the total energies of metallic carbon nanotubes are sensitive to the doping sites of the B/N pairs. The energy gaps of the doped metallic carbon nanotubes decrease with decreasing the concentration of the B/N pair not only along the tube axis but also around the tube. Moreover, the I-V characteristics and transmissions of the doped tubes are studied. Our results reveal that the conducting ability of the doped tube decreases with increasing the concentrations of the B/N pairs due to symmetry breaking of the system. This fact opens a new way to modulate band structures of metallic carbon nanotubes by doping B/N pair with suitable concentration and the novel characteristics are potentially useful in future applications
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School of Physics Science and Technology,Central South University
College of Chemistry and Molecular Engineering and Beijing National Laboratory for Molecular Sciences,Peking UniversitySchool of Physics Science and Technology,Central South University
欧阳方平
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彭盛霖
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陈灵娜
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孙曙元
徐慧
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School of Physics Science and Technology,Central South UniversitySchool of Physics Science and Technology,Central South University
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Key Laboratory of Composite and Functional Materials of Tianjin, School of Materials Science and Engineering, Tianjin University, Tianjin 300072, ChinaKey Laboratory of Composite and Functional Materials of Tianjin, School of Materials Science and Engineering, Tianjin University, Tianjin 300072, China
Wang, Kun-Peng
Shi, Chun-Sheng
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Key Laboratory of Composite and Functional Materials of Tianjin, School of Materials Science and Engineering, Tianjin University, Tianjin 300072, ChinaKey Laboratory of Composite and Functional Materials of Tianjin, School of Materials Science and Engineering, Tianjin University, Tianjin 300072, China
Shi, Chun-Sheng
Zhao, Nai-Qin
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Key Laboratory of Composite and Functional Materials of Tianjin, School of Materials Science and Engineering, Tianjin University, Tianjin 300072, ChinaKey Laboratory of Composite and Functional Materials of Tianjin, School of Materials Science and Engineering, Tianjin University, Tianjin 300072, China
Zhao, Nai-Qin
Du, Xi-Wen
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Key Laboratory of Composite and Functional Materials of Tianjin, School of Materials Science and Engineering, Tianjin University, Tianjin 300072, ChinaKey Laboratory of Composite and Functional Materials of Tianjin, School of Materials Science and Engineering, Tianjin University, Tianjin 300072, China
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S China Normal Univ, Sch Phys & Telecommun Engn, Lab Quantum Informat Technol, Guangzhou 510006, Guangdong, Peoples R ChinaS China Normal Univ, Sch Phys & Telecommun Engn, Lab Quantum Informat Technol, Guangzhou 510006, Guangdong, Peoples R China
Zhang, Li Xia
Chen, A. Qing
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S China Normal Univ, Sch Phys & Telecommun Engn, Lab Quantum Informat Technol, Guangzhou 510006, Guangdong, Peoples R ChinaS China Normal Univ, Sch Phys & Telecommun Engn, Lab Quantum Informat Technol, Guangzhou 510006, Guangdong, Peoples R China
Chen, A. Qing
Shao, QingYi
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S China Normal Univ, Sch Phys & Telecommun Engn, Lab Quantum Informat Technol, Guangzhou 510006, Guangdong, Peoples R ChinaS China Normal Univ, Sch Phys & Telecommun Engn, Lab Quantum Informat Technol, Guangzhou 510006, Guangdong, Peoples R China
机构:
Cent S Univ, Sch Phys Sci & Technol, Changsha 410083, Peoples R China
Univ S China, Sch Comp Sci & Technol, Hengyang 421001, Peoples R ChinaCent S Univ, Sch Phys Sci & Technol, Changsha 410083, Peoples R China
Chen, L. N.
OuYang, F. P.
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Cent S Univ, Sch Phys Sci & Technol, Changsha 410083, Peoples R ChinaCent S Univ, Sch Phys Sci & Technol, Changsha 410083, Peoples R China
OuYang, F. P.
Ma, S. S.
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Cent S Univ, Sch Phys Sci & Technol, Changsha 410083, Peoples R ChinaCent S Univ, Sch Phys Sci & Technol, Changsha 410083, Peoples R China
Ma, S. S.
Wu, X. Z.
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Cent S Univ, Sch Phys Sci & Technol, Changsha 410083, Peoples R ChinaCent S Univ, Sch Phys Sci & Technol, Changsha 410083, Peoples R China
Wu, X. Z.
Xiao, J.
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Cent S Univ, Sch Phys Sci & Technol, Changsha 410083, Peoples R ChinaCent S Univ, Sch Phys Sci & Technol, Changsha 410083, Peoples R China
Xiao, J.
Xu, H.
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Cent S Univ, Sch Phys Sci & Technol, Changsha 410083, Peoples R ChinaCent S Univ, Sch Phys Sci & Technol, Changsha 410083, Peoples R China