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Using density functional theory and nonequilibrium Greens function, the electronic structure and transport properties of chiral (6, 3) single-walled carbon nanotubes substituted by nitrogen atoms were investigated. The results show that the configurations and the concentration of the doped atoms have complicated effects on the transport properties of the chiral single-walled carbon nanotubes. The electronic structures of the carbon nanotubes are changed obviously. The transportation properties are degraded by the doping of nitrogen atoms and change significantly with the positions of impurity atoms in the structure. The currents-voltage curve shows nonlinear variation. Under certain conditions the metallic single-walled carbon nanotubes may be converted into semiconductors.
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Keywords:
- chiral single-walled carbon nanotubes /
- nitrogen doping /
- electronic structure /
- transportation properties
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[1] Iijima S 1991 Nature 354 56
[2] Liu Z J, Zhang Q, Qin L C 2005 Phys. Rev. B 71 245413
[3] Saito R, Dresselhuas M S, Dresselhuas G 1998 Physical Properties of Carbon Nanotubes (London: Imperial College Press) pp35—123
[4] Zeng H, Hu H F, Wei J W, Xie F, Peng P 2006 Acta Phys. Sin. 55 4822 (in Chinese)[曾 晖、 胡慧芳、 韦建卫、 谢 芳、彭 平 2006 物理学报 55 4822]
[5] Peng S, Cho K 2003 Nano Lett. 3 513
[6] Ni M Y, Wang X L, Zeng Z 2009 Chin. Phys.B 18 357
[7] Zhang L J, Hu H F, Wang Z Y, Wei Y, Jia J F 2010 Acta Phys. Sin. 59 527 (in Chinese)[张丽娟、 胡慧芳、 王志勇、 魏 燕、 贾金凤 2010 物理学报 59 527]
[8] Kang H S, Jeong S 2004 Phys. Rev. B. 70 233411
[9] Chen G D, Wang L D, Zhang J Q, Cao D C, An B, Ding F C, Liang J K 2008 Acta Phys. Sin. 57 7164 (in Chinese) [陈国栋、 王六定、 张教强、 曹得财、 安 博、 丁富才、 梁锦奎 2008 物理学报 57 7164]
[10] Min Y S, Bae E J, Kim U J, Lee E H, Park N, Hwang C S, Park W 2008 Appl. Phys. Lett. 93 043113
[11] Kudashov A G, Okotrub A V, Yudanov N F, Romanenko A I, Bulusheva L G, Abrosimov O G, Chuvilin A L, Pazhetov E M, Boronin A I 2002 Phys. Solid State 44 652
[12] Taylor J, Guo H, Wang J 2001 Phys. Rev. B 63 245407
[13] Brandbyge M, Mozos J L, Ordejón P, Taylor J, Stokbro K 2002 Phys. Rev. B 65 165401
[14] Zhou T, Wu J, Duan W H, Gu B L 2007 Phys. Rev. B 75 205410
[15] Gómez-Navarro C, De Pablo P J, Gómez-Herrero J, Biel B, Garcia-Vidal F J, Rubio A, Flores F 2005 Nat. Mater. 4 534
[16] Nordlund K, Hakonen P 2005 Nat. Mater. 4 514
[17] Xu Z, Lu W G, Wang W L, Gu C Z, Liu K H, Bai X D, Wang E G, Dai H J 2008 Adv. Mater. 20 3615
[18] Kaun C C, Larade B, Mehrez H, Taylor J, Guo H 2002 Phys. Rev. B 65 205416
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