| 双空位缺陷对金属性碳纳米管量子电子学特性的影响研究 |
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| 引用本文： | 曾晖,韦建卫.双空位缺陷对金属性碳纳米管量子电子学特性的影响研究[J].长江大学学报,2010,7(4):19-21,82. |
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| 作者姓名： | 曾晖 韦建卫 |
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| 作者单位： | 长江大学物理科学与技术学院,湖北,荆州,434023;重庆理工大学光电信息学院,重庆,400054 |
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| 基金项目： | 国家自然科学基金项目(10947161); 长江大学博士启动基金项目(801080010111) |
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| 摘 要： | 采用第一性原理的密度泛函理论计算方法,研究了2种不同分布的双原子空位缺陷(平行于管轴和斜交于管轴)对金属型(12,0)碳纳米管量子电子特性的影响。研究结果表明,平行于管轴的五边形-八边形-五边形(5-8-5)缺陷的转变能是最小的,是最稳定的缺陷结构分布;平行于管轴的5-8-5缺陷和斜交于管轴5-8-5缺陷都在价带部分引入了出现2个电子背散射中心,这对电子输运非常不利;斜交于管轴5-8-5缺陷比平行于管轴5-8-5缺陷对电导的抑制作用更大,这是由于斜交于管轴5-8-5缺陷破环了碳纳米管的轴向对称性。
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| 关 键 词： | 空位缺陷 碳纳米管 能带 电学特性 |
Influence of Divacancies on the Quantum Electronic Properties of Metallic Carbon Nanotubes |
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| ZENG Hui WEI Jian-wei.Influence of Divacancies on the Quantum Electronic Properties of Metallic Carbon Nanotubes[J].Journal of Yangtze University,2010,7(4):19-21,82. |
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| Authors: | ZENG Hui WEI Jian-wei |
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| Institution: | ZENG Hui(Yangtze University,Jingzhou 424023) WEI Jian-wei(Chongqing Institute of Technology,Chongqing 400054) |
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| Abstract: | By using the first principle density functional theory,the effect of different distribution divacancies on the quantum electronic properties of metallic carbon nanotube is investigated.The results reveal that the parallel pentagon-octagon-pentagon(5-8-5) defects are the most stable defects in the carbon nanotubes because of their lowest transformation energy.Both parallel 5-8-5 defects and titled 5-8-5 defects rise to two backscattering centers that are located below the Fermi level,which is unfavorable for... |
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| Keywords: | vacancies carbon nanotubes band structures electronic properties |
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