Citation:
CHEN Yu-Hang, ZHANG Chao-Min, WU Jian-Bao, LIN Qi. Effect of O/N Substitutive Doping on the Band Structure and Transport Properties of the zigzag Boron Nitride Narrow-Nanoribbons[J]. Acta Physico-Chimica Sinica,
;2012, 28(03): 567-572.
doi:
10.3866/PKU.WHXB201112071
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By performing first-principles calculations and non-equilibrium Green's function, the energy band structure, transmission spectrum and current-voltage characteristics of the O-doping zigzag boron nitride narrow-nanoribbons (z-BNNNRs) were investigated. The calculation results show that O-doping remarkably changes the z-BNNNRs energy band structure and transform the material from a semiconductor to a metal. It is also demonstrated that the system exhibits an obvious negative differential resistance (NDR) characteristic. Further investigations revealed that the position and concentration of O-doping also affected the NDR behavior over a certain range of bias. The negative differential conductance (NDC) for edge-doping is greater than that for middle-doping and the maximum of the NDC increases with an increase of the concentration of O-doping. This special electronic transport property of O-doping z-BNNNRs makes it more suitable as a candidate for molecular devices.
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-
[1]
(1) Novoselov, K. S.; Geim, A. K.; Morozov, S. V.; Jiang, D.; Zhang, Y.; Dubonos, S. V.; Gri rieva, I. V.; Firsov, A. A. Science 2004, 306, 666.
-
[2]
(2) Novoselov, K. S.; Jiang, D.; Schedin, F.; Booth, T. J.; Khotkevich, V. V.; Morozov, S. V.; Geim, A. K. Proc. Natl. Acad. Sci. U.S.A. 2005, 102, 10451.
-
[3]
(3) Novoselov, K. S.; Geim, A. K.; Morozov, S. V.; Jiang, D.; Katsnelson, M. I.; Gri rieva, I. V.; Dubonos, S. V.; Firsov, A. A. Nature 2005, 438, 197.
-
[4]
(4) Zhang, Y.; Tan, Y.W.; Stormer, H. L.; Kim, P.; Nature 2005, 438, 201.
- [5]
-
[6]
(6) Castro, N. A. H.; Peres, N. M. R.; Novoselov, K. S.; Gein, A. K. Rev. Mod. Phys. 2009, 81, 109.
-
[7]
(7) Son, Y.; Cohen, M. L.; Louie, S. G. Phys. Rev. Lett. 2006, 97, 216803.
-
[8]
(8) Son, Y.; Cohen, M. L.; Louie, S. G. Nature 2006, 444, 347.
-
[9]
(9) Ouyang, F. P.; Xu, H.;Wei, C. Acta. Phys. Sin. 2008, 57, 1073. [欧阳方平, 徐慧, 魏辰. 物理学报, 2008, 57, 1073.]
-
[10]
(10) Ouyang, F. P.; Xu, H.; Li, M. J.; Xiao, J. Acta. Phys. -Chim. Sin. 2008, 24, 328. [欧阳方平, 徐慧, 李明君, 肖金. 物理化学学报, 2008, 24, 328.]
-
[11]
(11) Ouyang, F. P.;Wang, H. Y.; Li, M. J.; Xiao, J.; Xu, H. Acta. Phys. Sin. 2008, 57, 7132. [欧阳方平, 王焕友, 李明君, 肖金, 徐慧. 物理学报, 2008, 57, 7132.]
-
[12]
(12) Ouyang, F. P.;Wang, X. J.; Zhang, H.; Xiao, J.; Chen, L. N.; Xu, H. Acta. Phys. Sin. 2009, 58, 5640. [欧阳方平, 王晓军, 张华, 肖金, 陈灵娜, 徐慧. 物理学报, 2009, 58, 5640.]
-
[13]
(13) Lin, Q.; Chen, Y. H.;Wu, J. B.; Kong, Z. M. Acta. Phys. Sin. 2011, 60, 97103. [林琦, 陈余行, 吴建宝, 孔宗敏. 物理学报, 2011, 60, 97103.]
-
[14]
(14) Zhen, X. H.; Dai, Z. X.;Wang, X. L.; Zeng, Z. Acta. Phys. Sin. 2009, 58, S259. [郑小宏, 戴振翔, 王贤龙, 曾雉. 物理学报, 2009, 58 (专刊), S259.]
-
[15]
(15) Watanabe, K.; Taniguchi, T.; Kanda, H. Nat.Mater. 2004, 3, 404.
-
[16]
(16) Arnaud, B.; Lebègue, S.; Rabiller, P.; Alouani, M. Phys. Rev. L 2006, 96, 26402.
-
[17]
(17) Li, J.; Gui, G.; Zhong, J. X. Journal of Applied Physics 2008, 104, 94311.
- [18]
-
[19]
(19) Du, A. J.; Smith, S. C.; Lu, G. Q. Chem. Phys. Lett. 2007, 447, 181.
-
[20]
(20) Chen, Z. G.; Zou, J.; Liu, G.; Li, F.;Wang, Y.;Wang, L.; Yuan, X. L. ACS Nano 2008, 2, 2183.
-
[21]
(21) Park, C. H.; Louie, S. G. Nano Lett. 2008, 8,. 2200.
-
[22]
(22) Barone, V.; Peralta, J. E. Nano Lett. 2008, 8Regular 2210.
-
[23]
(23) Jin, C. H.; Lin, F.; Suenaga, K.; Lijima, S. Phys. Rev. Lett. 2009, 102, 195505.
-
[24]
(24) Gui, G.; Li, J.; Zhong, J. X. Phys. Rev. B 2008, 78, 75435.
-
[25]
(25) Brandbyge, M.; Mozos, J. S.; Ordejón, P.; Taylor, J.; Stokbro, K. Phys. Rev. B 2002, 65, 165401.
-
[26]
(26) Datta, S. Electronic Transport in Mesoscopic Systems; Cambridge: Cambridge University Press, 1995; pp 117-163.
-
[27]
(27) Silva, L. D. A.; Guerini, S. C.; Lemos, V.; Filho, J. M. IEEE Trans. Nanotechnol. 2006, 5, 517.
- [28]
-
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