B/N掺杂类直三角石墨烯纳米带器件引起的整流效应

陈鹰; 胡慧芳; 王晓伟; 张照锦; 程彩萍

doi:10.7498/aps.64.196101

摘要

基于密度泛函理论结合非平衡格林函数的方法, 研究了硼(氮)非对称掺杂类直三角石墨烯纳米带器件的电子输运性能. 计算结果表明: 单个硼或氮原子取代类直三角石墨烯纳米带顶点的碳原子后, 增强了体系的电导能力, 并且出现了新颖的整流效应. 分析表明: 这是由于硼氮掺杂类直三角石墨烯纳米带器件在正负偏压下分子能级的移动方向和前线分子轨道空间分布的不对称而产生的. 最重要的是, 当左右类直三角石墨烯纳米带的顶端原子同时被硼和氮掺杂后, 体系的整流效应显著增强, 而且出现负微分电阻效应.

关键词:

Abstract

By using nonequilibrium Green's functions in combination with the first principles density functional theory, for the similar right triangle graphene devices as the research object, we take the zigzag graphene as electrodes, to investigate the B(N) doping and B-N co-doping effect, i.e. mainly the influence of doping on the transport properties of similar right triangle graphene devices, as well as the asymmetric doping effect on the rectifying behaviors in similar right triangle graphene devices. Calculated results show that the system conductivity is increased when the vertex carbon atom of a similar right triangle graphene is substituted by a boron or nitrogen atom, and a novel rectifying effect appears. The rectification behavior can be observed because of an asymmetric movement on the molecular-level in B(N) doping in the similar right triangle graphene devices under positive and negative biases and the asymmetry in the spatial distribution of the frontier orbitals. Most importantly, when the vertex carbon atoms of the right and left similar right triangle graphenes are simultaneously doped with boron and nitrogen atoms, the rectifying effect of the system is significantly enhanced and appears also a negative differential resistance effect.

Keywords:

作者及机构信息

1.
湖南大学物理与微电子科学学院, 长沙 410082;湖南大学微纳光电器件及应用教育部重点实验室, 长沙 410082

通信作者: 胡慧芳, guf68@hnu.edu.cn

基金项目: 国家重点基础研究发展计划(批准号: 2011CB932700)资助的课题.

Authors and contacts

1.
College of Physics and Microelectronics Science, Hunan University, Changsha 410082, China; Key Laboratory for Micro-Nano Physics and Technology of Hunan Province, Changsha 410082, China

Corresponding author: Hu Hui-Fang, guf68@hnu.edu.cn

Funds: Project supported by the State Key Development Program for Basic Research of China (Grant No. 2011CB932700).

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施引文献

[1]	Tsuji Y, Staykov A, Yoshizawa K 2012 J. Phys. Chem. C 116 2575
[2]	Wen S Z, Yang G C, Yan L K, Li H B, Su Z M 2013 Chem. Phys. Chem. 14 610
[3]	Zhao P, Liu D S, Zhang Y, Su Y, Liu H Y, Li S J, Chen G 2012 J. Phys. Chem. C 116 7968
[4]	Aviram A, A Ratner M 1974 Chem. Phys. Lett. 29 277
[5]	Stokbro K, Taylor J 2003 J. Am. Chem. Soc. 125 3674
[6]	Ford M J, Hoft R C, Mcdonagh A M, Cortie M B 2008 J. Phys.: Condens. Matter 20 374106
[7]	Stadler R, Geskin V, Cornil J 2008 J. Phys.: Condens. Matter 20 374105
[8]	Yee S K, Sun J, Darancet P, Tilley T D, Majumdar A, Neaton J B, Segalman R A 2011 ACS Nano 5 9256
[9]	Zheng X H, Wang R N, Song L L, Dai Z X, Wang X L, Zeng Z 2009 Appl. Phys. Lett. 95 123109
[10]	Kang J, Wu F M, Li J B 2011 Appl. Phys. Lett. 98 083109
[11]	Li J, Li Z Y, Zhou G, Liu Z R, Wu J, Gu B L, Ihm J, Duan W H 2010 Phys. Rev. B 82 115410
[12]	Li Z, Yang J, Hou J G 2008 J. Am. Chem. Soc. 130 4224
[13]	He J, Chen K Q, Fan Z Q, Tang L M, Hu W P 2010 Appl. Phys. Lett. 97 193305
[14]	Zhang Z Q, Liu B, Hwang K C, Gao H J 2011 Appl. Phys. Lett. 98 121909
[15]	Campos L C, Manfrinato V R, Yamagishi J D S, Kong J, Herrero P J 2009 Nano Lett. 9 2600
[16]	Beljakov I, Meded V, Symalla F, Fink K, Shallcross S, Wenzel W 2013 J. Nanotechnol. 4 441
[17]	Zeng H, Zhao J, Wei J W, Xu D H, Leburton J P 2012 Curr. Appl. Phys. 12 1611
[18]	Liu H M, B Wang H, Zhao J W, Kiguchi M 2013 J. Comp. Chem. 34 360
[19]	Zeng H, Zhao J, Wei J W, Zeng X L, Xu Y 2012 Phys. Let. A 376 3277
[20]	Deng X Q, Zhang Z H, Tang G P, Fan Z Q, Qiu M, Guo C 2012 Appl. Phys. Lett. 100 063107
[21]	Zeng J, Chen K Q, He J, Zhang X J, Sun C Q 2011 J. Phys. Chem. C 115 25072
[22]	Zhao P, Liu D S, Zhang Y, Su Y, Liu H Y, Li S J, Chen G 2012 Solid State Commun. 152 1061
[23]	Yan S L, Long M Q, Zhang X J, He J, Xu H, Chen K Q 2014 Chem. Phys. Lett. 608 28
[24]	Zhao P, Liu D S, Chen G 2013 Solid State Commun. 160 13
[25]	Zeng M G, Shen L, Yang M, Zhang C, Feng Y P 2011 Appl. Phys. Lett. 98 053101
[26]	Pei T, Xu H, Zhang Z, Wang Z, Liu Y, Li Y, Wang S, Peng L M 2011 Appl. Phys. Lett. 99 113102
[27]	Wang Z F, Li Q, Shi Q W, Wang X, Hou J G, Zheng H, Chen J 2008 Appl. Phys. Lett. 92 133119
[28]	Zeng J, Chen K Q, He J, Fan Z Q, Zhang X J 2011 J. Appl. Phys. 109 124502
[29]	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]
[30]	Zhang Z H, Deng X Q, Tan X Q, Qiu M, Pan J B 2010 Appl. Phys. Lett. 97 183105
[31]	Deng X Q, Tang G P, Guo C 2012 Phys. Lett. A 376 1839

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