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).

参考文献

[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

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

[1]	严岩, 孙峰, 羊志, 孔程昱, 葛云龙, 陈登辉, 邱帅, 李宗良. 金电极对偶氮苯分子结的结构及其电输运性质的力学调控作用. 物理学报, 2024, 73(8): 088502. doi: 10.7498/aps.73.20231999
[2]	彭淑平, 邓淑玲, 刘乾, 董丞骐, 范志强. N、B原子取代调控M-OPE分子器件的量子干涉与自旋输运. 物理学报, 2024, 0(0): . doi: 10.7498/aps.73.20240174
[3]	彭淑平, 黄旭东, 刘乾, 任鹏, 伍丹, 范志强. 二噻吩硼烷异构体分子结构测定的第一性原理研究. 物理学报, 2023, 72(5): 058501. doi: 10.7498/aps.72.20221973
[4]	闫瑞, 吴泽文, 谢稳泽, 李丹, 王音. 导线非共线的分子器件输运性质的第一性原理研究. 物理学报, 2018, 67(9): 097301. doi: 10.7498/aps.67.20172221
[5]	陈伟, 陈润峰, 李永涛, 俞之舟, 徐宁, 卞宝安, 李兴鳌, 汪联辉. 基于石墨烯电极的Co-Salophene分子器件的自旋输运. 物理学报, 2017, 66(19): 198503. doi: 10.7498/aps.66.198503
[6]	何昱辰, 刘向军. 基于基液连续假设的大体系Cu-H2O纳米流体输运特性的模拟研究. 物理学报, 2015, 64(19): 196601. doi: 10.7498/aps.64.196601
[7]	李永辉, 闫强, 周丽萍, 韩琴. 金纳米线接触构型相关的双重负微分电阻与整流效应. 物理学报, 2015, 64(5): 057301. doi: 10.7498/aps.64.057301
[8]	晏潜, 陆翠敏, 冯电稳, 杨巍巍, 赵捷, 刘庆锁, 马永昌. K0.8Fe2Se2晶体c轴向载流子输运特性的研究. 物理学报, 2014, 63(3): 037401. doi: 10.7498/aps.63.037401
[9]	邓小清, 杨昌虎, 张华林. B/N掺杂对于石墨烯纳米片电子输运的影响. 物理学报, 2013, 62(18): 186102. doi: 10.7498/aps.62.186102
[10]	邱明, 张振华, 邓小清. 碳链输运对基团吸附的敏感性分析. 物理学报, 2010, 59(6): 4162-4169. doi: 10.7498/aps.59.4162
[11]	安义鹏, 杨传路, 王美山, 马晓光, 王德华. C20F20分子电子输运性质的第一性原理研究. 物理学报, 2010, 59(3): 2010-2015. doi: 10.7498/aps.59.2010
[12]	李桂琴. 硼-碳和硼-氮量子点器件的输运特性研究. 物理学报, 2010, 59(7): 4985-4988. doi: 10.7498/aps.59.4985
[13]	李巧华, 张振华, 刘新海, 邱明, 丁开和. 分子电子器件简化模型的电子透射谱的计算. 物理学报, 2009, 58(10): 7204-7210. doi: 10.7498/aps.58.7204
[14]	王利光, 陈蕾, 郁鼎文, 李勇, Terence K. S. W.. 单分子器件与电极间耦合界面对电子传输的影响. 物理学报, 2007, 56(11): 6526-6530. doi: 10.7498/aps.56.6526
[15]	胡海龙, 张琨, 王振兴, 孔涛, 胡颖, 王晓平. 硫醇自组装分子膜末端基团对其电荷输运特性的影响. 物理学报, 2007, 56(3): 1674-1679. doi: 10.7498/aps.56.1674
[16]	郭宝增, 宫娜, 师建英, 王志宇. 纤锌矿相GaN空穴输运特性的Monte Carlo模拟研究. 物理学报, 2006, 55(5): 2470-2475. doi: 10.7498/aps.55.2470
[17]	胡海龙, 张琨, 王振兴, 王晓平. 自组装硫醇分子膜电输运特性的导电原子力显微镜研究. 物理学报, 2006, 55(3): 1430-1434. doi: 10.7498/aps.55.1430
[18]	王建元, 陈长乐, 高国棉, 韩立安, 金克新. La0.82Te0.18MnO3薄膜的输运特性和光诱导效应. 物理学报, 2006, 55(12): 6617-6621. doi: 10.7498/aps.55.6617
[19]	肖春涛, 韩立安, 薛德胜, 赵俊慧, H.Kunkel, G.Williams. La0.67Pb0.33MnO3的磁性及输运特性. 物理学报, 2003, 52(5): 1245-1249. doi: 10.7498/aps.52.1245
[20]	郭宝增. 用全带Monte Carlo方法模拟纤锌矿相GaN和ZnO材料的电子输运特性. 物理学报, 2002, 51(10): 2344-2348. doi: 10.7498/aps.51.2344

计量

文章访问数: 5043
PDF下载量: 196
被引次数: 0

姓名
邮箱
手机号码
标题
留言内容
验证码

搜索

留言板