The electronic transport properties affected by B/N doping in graphene-based molecular devices

Deng Xiao-Qing; Yang Chang-Hu; Zhang Hua-Lin

doi:10.7498/aps.62.186102

Abstract

The electron transport properties of the system consisting of the zigzag graphene nanoflake doped with nitrogen and boron atoms connected to two Au electrodes through S-Au bonds are investigated theoretically. The results show that a nanoflake doped with nitrogen and boron atoms at edges has poor rectifying performance. While the system consisting of two pieces of graphene flakes doped by boron and nitrogen atoms, respectively, and linked with an alkane chain, shows good performance. And the significant effects of the doped sites on the current-voltage characteristics are observed. The mechanisms for these phenomena are explained by the different shifts of transmission spectra, the different spatial distributions of the molecular projected self-consistent Hamiltonian eigenstates. The negative differential resistance behavior results from the biase induced shifts of the energy level and change of the resonance transmission spectra, and the suppression of the relevant channels at some bias voltages.

Keywords:

Authors and contacts

1.
School of Physics and Electronic Science, Changsha University of Science and Technology, Changsha 410114, China
Funds: Project supported by the National Natural Science Foundation of China (Grant Nos. 61071015, 61101009, 61201080), the Scientific Research Fund of Hunan Provincial Education Department, China (Grant Nos. 11B008, 12A001), the Scientific Research Fund of Hunan Provincial Science and Technology Agency, China (Grant Nos. 2011FJ3089, 2012FJ4254), the Construct Program of the Key Discipline in Hunan Province, Aid Program for Science and Technology Innovative Research Team in Higher Educational Institutions of Hunan Province, China.

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Cited By

[1]	Zhang Z H, Peng J, Zhang H 2001 Appl. Phys. Lett. 79 3515
[2]	Zhang Z H, Peng J, Huang X 2002 Phys. Rev. B 66 085405
[3]	Zhang Z H, Yuan J, Qiu M 2006 J. Appl. Phys. 99 104311
[4]	Zhang Z H, Yang Z, Wang X, Yuan J, Zhang H, Qiu M, Peng J 2005 J. Phys.: Condens. Matter 17 4111
[5]	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
[6]	Zeng M, Shen L, Yang M, Zhang C, Feng Y 2011 Appl. Phys. Lett. 98 053101
[7]	Masum Habib K M, Zahid F, Lake R K 2011 Appl. Phys. Lett. 98 192112
[8]	Kang J, Wu F, Li J 2011 Appl. Phys. Lett. 98 083109
[9]	Soudi A, Aivazian G, Shi S F, Xu X D, Gu Y 2012 Appl. Phys. Lett. 100 033115
[10]	Zeng M, Huang W, Liang G 2013 Nanoscale 5 200
[11]	Zheng X H, Wang X L, Huang L F, Hao H, Lan J, Zeng Z 2012 Phys. Rev. B 86 081408
[12]	Zheng X H, Wang X L, Abtew T A, Zeng Z 2010 J. Phys. Chem. C 114 4190
[13]	Zheng X H, Song L L, Wang R N, Hao H, Guo L J, Zeng Z 2010 Appl. Phys. Lett. 97 153129
[14]	An Y P, Yang Z Q 2011 Appl. Phys. Lett. 99 192102
[15]	Jin F, Zhang Z H, Wang C Z, Deng X Q, Fan Z Q 2013 Acta Phys. Sin. 62 036103 (in Chinese) [金峰, 张振华, 王成志, 邓小清, 范志强 2013 62 036103]
[16]	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]
[17]	Xu J M, Hu X H, Sun L T 2012 Acta Phys. Sin. 61 027104 (in Chinese) [许俊敏, 胡小会, 孙利涛2012 61 027104]
[18]	Zheng J M, Guo P, Ren Z, Jiang Z, Bai J, Zhang Z 2012 Appl. Phys. Lett. 101 083101
[19]	Yao Y X, Wang C Z, Zhang G P, Ji M, Ho K M 2009 J. Phys.: Condens. Matter 21 235501
[20]	Son Y, Cohen M L, Louie S G 2006 Phys. Rev. Lett. 97 216803
[21]	Zeng J, Chen K Q, He J, Zhang X J, Hu W P 2011 Organic Electronics 12 1606
[22]	Zeng J, Chen K Q, He J, Fan Z Q, Zhang X J 2011 J. Appl. Phys. 109 124502
[23]	Lin Q, Chen Y H, Wu J B, Kong Z M 2011 Acta Phys. Sin. 60 097103 (in Chinese) [林琦, 陈余行, 吴建宝, 孔宗敏2011 60 097103]
[24]	Deng X Q, Zhang Z H, Tang G P, Fan Z Q, Qiu M 2012 Appl. Phys. Lett. 100 063107
[25]	Deng X Q, Tang G P, Guo C 2012 Phys. Lett. A 376 1839
[26]	Wei D C, Liu Y Q, Wang Y, Zhang H L, Huang L P, Yu G 2009 Nano Lett. 9 1752
[27]	Guo B D, Liu Q, Chen E D, Zhu H W, Fang L, Gong J R 2010 Nano Lett. 10 3079
[28]	Tworzydlo J, Trauzettel B, Titov M, Rycerz A, Beenakker C W J 2006 Phys. Rev. Lett. 96 246802
[29]	Schomerus H 2007 Phys. Rev. B 76 045433
[30]	Zhang G P, Qin Z J 2011 Chem. Phys. Lett. 516 225
[31]	Hu S J, Du W, Zhang G P, Gao M, Lu Z Y, Wang X Q 2012 Chin. Phys. Lett. 29 057201
[32]	Landauer R 1970 Philos. Mag. 21 863
[33]	Bttiker M 1986 Phys. Rev. Lett. 57 1761
[34]	Zhang Z H, Qiu M, Deng X Q, Ding K H, Zhang H 2009 J. Chem. Phys. 130 184703
[35]	Zhang Z H, Deng X Q, Tan X Q, Qiu M, Pan J B 2010 Appl. Phys. Lett. 97 183105
[36]	Zhang Z H, Guo C, Kwong G, Deng X Q 2013 Carbon 51 313

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Vol. 62, Issue 18 - 2013-09-20

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