| 局部扭转形变下典型armchair型石墨烯纳米带的力电特性 |
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| 引用本文： | 鲍正祥,贾建明.局部扭转形变下典型armchair型石墨烯纳米带的力电特性[J].淮阴师范学院学报(自然科学版),2012(3):246-250. |
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| 作者姓名： | 鲍正祥 贾建明 |
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| 作者单位： | 淮安信息职业技术学院基础教学部;淮阴师范学院物理与电子电气工程学院 |
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| 摘 要： | 将密度泛函理论与非平衡格林函数方法相结合,选取了宽度为11根碳原子链、边缘H钝化的armchair型石墨烯纳米带为模型,系统研究了局部扭转形变对石墨烯纳米带力电特性的影响.结果表明,随着扭转角度的增加,armchair型石墨烯纳米带的结构依次经历了弹性形变、塑性形变直至完全断裂.局部扭转形变对armchair型石墨烯纳米带的力电特性有显著影响,表现出了依赖于形变过程的输运谱和伏安特性.
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| 关 键 词： | 石墨烯纳米带 扭转形变 力电特性 密度泛函理论 |
Electromechanical Response of Armchair Graphene Nanoribbon under Local Torsional Deformation Nanowires |
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| Institution: | BAO Zheng-xiang1,JIA Jian-min2(1.Huaian College of Information Technology,Huaian Jiangsu 223002,China)(2.School of Physical and Electronic Electrical Engineering,Huaiyin Normal University,Huanan Jiangsu 223300,China) |
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| Abstract: | The mechanical and electrical properties of armchair graphene nanoribbon under local torsional deformation have been characterized for the model of armchair graphene nanoribbon with width 11 using a combined formalism of density functional theory and nonequilibrium Green's function.It is shown that with increasing torsional angle,the deformed region of nanoribbon undergoes the elastic and plastic deformation.The local torsional deformation can have a significant effect on the electromechanical properties of armchair graphene nanoribbon in spite of its semiconducting characteristics,resulting in the torsion-dependent transport spectrum and current-voltage characteristics. |
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| Keywords: | graphene nanoribbon torsional deformation electromechanical property density-functional theory |
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