| 掺杂对锯齿形(Zigzag)石墨烯纳米带输运性质的影响 |
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| 引用本文： | 安丽萍,刘春梅,刘正方,刘念华. 掺杂对锯齿形(Zigzag)石墨烯纳米带输运性质的影响[J]. 材料导报, 2011, 25(4): 5-8 |
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| 作者姓名： | 安丽萍 刘春梅 刘正方 刘念华 |
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| 作者单位： | 1. 南昌大学高等研究院,南昌330031;燕山大学物理系,秦皇岛066004
2. 南昌大学高等研究院,南昌,330031 |
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| 基金项目： | 国家自然科学基金重点项目(10832005) |
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| 摘 要： | 基于第一性原理计算,研究了掺杂对锯齿形石墨烯纳米带电子输运性质的影响。研究发现,掺杂原子种类、掺杂位置的不同将对电子输运产生极大的影响。当中间散射区域的中心C原子被B杂质原子代替时,在电子输运谱的费米能级以下会出现一个零透射的波谷,而另一侧则不变;当带中心杂质为N原子时情况正好相反。零透射波谷的出现意味着有带隙产生,即发生了从金属到半导体的转变。当杂质原子从中心位置移到带边缘时,波谷将移到费米能级的另一侧,从而引起从受主到施主特征的转变,这是杂质原子的束缚态与边缘态相互作用的结果。
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| 关 键 词： | 第一性原理 锯齿形石墨烯纳米带 掺杂 输运性质 |
Doping Effects on the Transport Properties of Zigzag Graphene Nanoribbons |
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| AN Liping,LIU Chunmei,LIU Zhengfang,LIU Nianhua. Doping Effects on the Transport Properties of Zigzag Graphene Nanoribbons[J]. Materials Review, 2011, 25(4): 5-8 |
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| Authors: | AN Liping LIU Chunmei LIU Zhengfang LIU Nianhua |
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| Affiliation: | AN Liping1,2,LIU Chunmei1,LIU Zhengfang1,LIU Nianhua1(1 Institute for Advanced Study,Nanchang University,Nanchang 330031,2 Department of Physics,Yanshan University,Qinhuangdao 066004) |
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| Abstract: | The doping effects on the transport properties of zigzag graphene nanoribbons(ZGNR) are investigated using first-principles calculations.It is found that the transport properties of ZGNR are strongly dependent on the doped materials,as well as the position of the dopants.When the impurity B or N is placed at the center of the nanorib-bons,there is a zero-transmission Lorentzian dip appearing at the opposite side of the Fermi level,and eventually induces a transition of the zigzag GNR from metallic to semico... |
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| Keywords: | first-principles calculations zigzag graphene nanoribbons dopant transmission properties |
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