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The energy band structure, the transmission spectrum and the current-voltage characteristics of the N-doped zigzag graphene nanoribbons (z-GNRs) have been investigated by performing first-principles calculations. The results show the appearance of energy gap and a metal-semiconductor transition induced by N-doping of z-GNRs. With impurity concentration increasing, the current under the same bias decreases significantly, while the transmission coefficient near the Fermi surface decreases gradually. In addition, the length, the width and the N-doping position of z-GNR affect the transport property. Especially, the impurity concentration competes with the N-doping position in the influence on the transport property for narrow z-GNRs.
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Keywords:
- graphene nanoribbons /
- N-doping /
- energy band structure /
- transport properties
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[19] Wei D C, Liu Y Q, Wang Y, Zhang H L, Huang L P, Yu G 2009 Nano Lett. 9 1752
[20] Brandbyge M, Mozos J L, Ordejon P, Taylor J, Stokbro K 2002 Phys. Rev. B 65 165401
[21] Datta S 1995 Electronic Transport in Mesoscopic Systems (Cambridge: Cambridge University Press)
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[1] Novoselov K S, Geim A K, Morozov S V, Jiang D, Zhang Y, Dubonos S V, Grigorieva I V, Firsov A A 2004 Science 306 666
[2] Novoselov K S, Geim A K, Morozov S V, Jiang D, Katsnelson M I, Grigorieva I V, Dubonos S V, Firsov A A 2005 Nature 438 197
[3] Zhang Y, Tan Y W, Stormer H L, Kim P 2005 Nature 438 201
[4] Novoselov K S, Jiang D, Schedin F, Booth T J, Khotkevich V V, Morozov S V, Geim A K 2005 Proc. Natl. Acad. Sci. USA 102 10451
[5] Geim A K, Novoselov K S 2007 Nat. Mater. 6 183
[6] Castro Neto A H, Peres N M R, Novoselov K S, Gein A K 2009 Rev. Mod. Phys. 81 109
[7] Son Y, Cohen M L, Louie S G 2006 Phys. Rev. Lett. 97 216803
[8] Son Y, Cohen M L, Louie S G 2006 Nature 444 347
[9] Zhou B H, Duan Z G, Zhou B L, Zhou G H 2010 Chin. Phys. B 19 037204
[10] Ouyang F P, Xu H, Wei C 2008 Acta Phys. Sin. 57 1073 (in Chinese) [欧阳方平、徐 慧、魏 辰 2008 57 1073]
[11] Ouyang F P, Xu H, Li M J, Xiao J 2008 Acta Phys. Chim. Sin. 24 328 (in Chinese) [欧阳方平、徐 慧、李明君、肖 金 2008 物理化学学报 24 328]
[12] Ouyang F P, Wang X J, Zhang H, Xiao J, Chen L N, Xu H 2009 Acta Phys. Sin. 58 5640 (in Chinese) [欧阳方平、王晓军、张 华、肖 金、陈灵娜、徐 慧 2009 58 5640]
[13] Ouyang F P, Xu H, Lin F 2009 Acta Phys. Sin. 58 4132 (in Chinese) [欧阳方平、徐 慧、林 峰 2009 58 4132]
[14] Yan Q M, Huang B, Yu J, Zheng F W, Zang J, Wu J, Gu B L, Liu F, Duan W H 2007 Nano Lett. 7 1469
[15] Huang B, Yan Q M, Zhou G, Wu J, Gu B L, Duan W H, Liu F 2007 Appl. Phys. Lett. 91 253122
[16] Yu S S, Zheng W T, Wen Q B, Jiang Q 2008 Carbon. 46 537
[17] Yu S S, Zheng W T 2009 Sciencepaper Online 4 292 (in Chinese) [于陕升、郑伟涛 2009 中国科技论文在线 4 292]
[18] Chen L N, Ma S S, Ouyang F P, Wu X Z, Xiao J, Xu H 2010 Chin. Phys. B 19 097301
[19] Wei D C, Liu Y Q, Wang Y, Zhang H L, Huang L P, Yu G 2009 Nano Lett. 9 1752
[20] Brandbyge M, Mozos J L, Ordejon P, Taylor J, Stokbro K 2002 Phys. Rev. B 65 165401
[21] Datta S 1995 Electronic Transport in Mesoscopic Systems (Cambridge: Cambridge University Press)
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