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.

References

[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 物理学报 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 物理学报 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物理学报 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 物理学报 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

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 物理学报 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 物理学报 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物理学报 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 物理学报 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

[1]	Zhou Zhan-Hui, Li Qun, He Xiao-Min. Electron transport mechanism in AlN/β-Ga₂O₃ heterostructures. Acta Physica Sinica, 2023, 72(2): 028501. doi: 10.7498/aps.72.20221545
[2]	He Yan-Bin, Bai Xi. Electron transport of one-dimensional non-conjugated (CH₂)_n molecule chain coupling to graphene electrode. Acta Physica Sinica, 2021, 70(4): 046201. doi: 10.7498/aps.70.20200953
[3]	Liang Jin-Tao, Yan Xiao-Hong, Zhang Ying, Xiao Yang. Non-collinear magnetism and electronic transport of boron or nitrogen doped zigzag graphene nanoribbon. Acta Physica Sinica, 2019, 68(2): 027101. doi: 10.7498/aps.68.20181754
[4]	Chi Ming-He, Zhao Lei. First-principles study of magnetic order in graphene nanoflakes as spin logic devices. Acta Physica Sinica, 2018, 67(21): 217101. doi: 10.7498/aps.67.20181297
[5]	Liu Fu-Ti, Zhang Shu-Hua, Cheng Yan, Chen Xiang-Rong, Cheng Xiao-Hong. Theoretical calculation of electron transport properties of atomic chains of (GaAs)n (n=1-4). Acta Physica Sinica, 2016, 65(10): 106201. doi: 10.7498/aps.65.106201
[6]	Chen Ying, Hu Hui-Fang, Wang Xiao-Wei, Zhang Zhao-Jin, Cheng Cai-Ping. Rectifying behaviors induced by B/N-doping in similar right triangle graphene devices. Acta Physica Sinica, 2015, 64(19): 196101. doi: 10.7498/aps.64.196101
[7]	Liu Fu-Ti, Cheng Yan, Chen Xiang-Rong, Cheng Xiao-Hong, Zeng Zhi-Qiang. Theoretical calculation of electron transport properties of the Au-Si60-Au molecular junctions. Acta Physica Sinica, 2014, 63(17): 177304. doi: 10.7498/aps.63.177304
[8]	Liu Fu-Ti, Cheng Yan, Chen Xiang-Rong, Cheng Xiao-Hong. Calculation of electron transport in GaAs nanoscale junctions using first-principles. Acta Physica Sinica, 2014, 63(13): 137303. doi: 10.7498/aps.63.137303
[9]	Li Biao, Xu Da-Hai, Zeng Hui. Influence of edge reconstruction on the electron transport in zigzag graphene nanoribbon. Acta Physica Sinica, 2014, 63(11): 117102. doi: 10.7498/aps.63.117102
[10]	Liu Fu-Ti, Cheng Yan, Yang Fu-Bin, Cheng Xiao-Hong, Chen Xiang-Rong. First-principles calculations of the electron transport through Si4 cluster. Acta Physica Sinica, 2013, 62(14): 140504. doi: 10.7498/aps.62.140504
[11]	Liu Fu-Ti, Cheng Yan, Yang Fu-Bin, Cheng Xiao-Hong, Chen Xiang-Rong. First-principles calculations of the electronic transport in Au-Si-Au junctions. Acta Physica Sinica, 2013, 62(10): 107401. doi: 10.7498/aps.62.107401
[12]	Hu Fei, Duan Ling, Ding Jian-Wen. Electronic transport in hybrid contact of doubly-stacked zigzag graphene nanoribbons. Acta Physica Sinica, 2012, 61(7): 077201. doi: 10.7498/aps.61.077201
[13]	Duan Ling, Hu Fei, Ding Jian-Wen. Effects of gradient disorder on electronic transport in quasi-one-dimensional nanowires. Acta Physica Sinica, 2011, 60(11): 117201. doi: 10.7498/aps.60.117201
[14]	Zheng Ji-Ming, Zhao Pei, Chen You-Wei, Ren Zhao-Yu, Guo Ping. Theoretical investigation on electron transport properties of singlewall carbon nanotube with oxygen molecular absorption. Acta Physica Sinica, 2011, 60(6): 068501. doi: 10.7498/aps.60.068501
[15]	Zhang Mi, Chen Yuan-Ping, Zhang Zai-Lan, Ouyang Tao, Zhong Jian-Xin. The effect of stacked graphene flakes on the electronic transport of zigzag-edged graphene nanoribbons. Acta Physica Sinica, 2011, 60(12): 127204. doi: 10.7498/aps.60.127204
[16]	Wang Li-Guang, Zhang Hong-Yu, Wang Chang, Terence K. S. W.. Electronic conductance of zigzag single wall carbon nanotube with an implanted Li atom. Acta Physica Sinica, 2010, 59(1): 536-540. doi: 10.7498/aps.59.536
[17]	Deng Xiao-Qing, Zhou Ji-Cheng, Zhang Zhen-Hua. Effects of end groups on the rectifying performance in molecular devices. Acta Physica Sinica, 2010, 59(4): 2714-2720. doi: 10.7498/aps.59.2714
[18]	Zheng Xin-Liang, Zheng Ji-Ming, Ren Zhao-Yu, Guo Ping, Tian Jin-Shou, Bai Jin-Tao. First-principles investigations on the electron transport of a TaSi3 cluster. Acta Physica Sinica, 2009, 58(8): 5709-5715. doi: 10.7498/aps.58.5709
[19]	Niu Xiu-Ming, Qi Yuan-Hua. Theoretical study of the electron transport in the molecular contact. Acta Physica Sinica, 2008, 57(11): 6926-6931. doi: 10.7498/aps.57.6926
[20]	Tang Li-Ming, Wang Ling-Ling, Wang Ning, Yan Min. Transport of electrons through an asymmetric T-shaped quantum waveguide in a magnetic field. Acta Physica Sinica, 2008, 57(5): 3203-3211. doi: 10.7498/aps.57.3203

Catalog

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

Metrics

Abstract views: 5098
PDF Downloads: 1012
Cited By: 0

姓名
邮箱
手机号码
标题
留言内容
验证码

Search

Article

留言板