引用本文:
【打印本页】   【HTML】   【下载PDF全文】   View/Add Comment  【EndNote】   【RefMan】   【BibTex】
←前一篇|后一篇→ 过刊浏览    高级检索
本文已被:浏览 1615次   下载 1490 本文二维码信息
码上扫一扫!
分享到: 微信 更多
Negative Differential Resistance and Spin-Filtering Effects in Zigzag Graphene Nanoribbons with Nitrogen-Vacancy Defects
Ting Xu,Jing Huang*,Qun-xiang Li*
Author NameAffiliationE-mail
Ting Xu Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Tech-nology of China, Hefei 230026, China  
Jing Huang* School of Materials and Chemical Engineering, Anhui Jianzhu University, Hefei 230601, China jhuang@ustc.edu.cn 
Qun-xiang Li* Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Tech-nology of China, Hefei 230026, China liqun@ustc.edu.cn 
Abstract:
We explore the electronic and transport properties of zigzag graphene nanoribbons (GNRs) with nitrogen-vacancy defects by performing fully self-consistent spin-polarized density functional theory calculations combined with non-equilibrium Green's function technique. We observe robust negative di erential resistance (NDR) effect in all examined molecular junctions. Through analyzing the calculated electronic structures and the bias-dependent transmission coefficients, we find that the narrow density of states of electrodes and the bias-dependent effective coupling between the central molecular orbitals and the electrode subbands are responsible for the observed NDR phenomenon. In addition, the obvious di erence of the transmission spectra of two spin channels is observed in some bias ranges, which leads to the near perfect spin-filtering effect. These theoretical findings imply that GNRs with nitrogenvacancy defects hold great potential for building molecular devices.
Key words:  Defective graphene nanoribbon, Electronic structure, Spin-polarized transport property, Negative differential resistance, Spin-filtering
FundProject:
含氮-空位缺陷锯齿状石墨烯纳米条带中负微分电阻和自旋过滤效应
徐婷,黄静*,李群祥*
摘要:
采用第一性原理和非平衡格林函数方法,系统研究了含氮空位缺陷锯齿状石墨烯纳米条带的自旋极化输运特性.理论计算结果表明边界非对称的这类石墨纳米条带的基态具有铁磁性,由其构建的分子结中负微分电阻效应具有鲁棒性,是电极局域的态密度及依赖偏压的散射区-电极耦合作用结果.此外,在特定偏压区域还观察到几乎完美的自旋过滤效应.
关键词:  缺陷型石墨烯纳米条带,电子结构,自旋极化输运特性,负微分电阻效应,自旋过滤
DOI:10.1063/1674-0068/27/06/653-658
分类号: