Electrical and Mechanical Properties of Twisted Carbon Nanotubes
Electrical and Mechanical Properties of Twisted Carbon Nanotubes
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DOI：
10.1103/physrevb.60.13824
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发表时间：
1999-04
影响因子：
3.7
通讯作者：
A. Rochefort;Frédéric Lesage;D. Salahub;P. Avouris
中科院分区：
文献类型：
--
作者：
A. Rochefort;Frédéric Lesage;D. Salahub;P. Avouris
我们评估了扭曲碳纳米管（NTs）所需的能量，并研究了这些扭曲对其电子结构和电学性质的影响。计算的畸变能很高，表明它是不可能的，广泛的扭曲是热激发的结果。扭曲强烈影响NTs的电子结构。通常，金属扶手椅$（n，n）$NT发展出带隙，其最初与扭转角成线性比例，然后达到恒定值。这种饱和与向扁平螺旋结构的结构转变有关。扭曲的能量和带隙的值的强烈影响，通过允许在扭曲的结构中的结构弛豫。最后，我们用Landauer-B{\“u}ttiker公式计算了金属-NT-金属系统的电输运随NT畸变的变化。
We have evaluated the energies required to twist carbon nanotubes (NTs), and investigated the effects of these distortions on their electronic structure and electrical properties. The computed distortion energies are high, indicating that it is unlikely that extensive twisting is the result of thermal excitation. Twisting strongly affects the electronic structure of NTs. Normally metallic armchair $(n,n)$ NTs develop a band-gap which initially scales linearly with twisting angle and then reaches a constant value. This saturation is associated with a structural transition to a flattened helical structure. The values of the twisting energy and of the band-gap are strongly affected by allowing structural relaxation in the twisted structures. Finally, we have used the Landauer-B{\"u}ttiker formalism to calculate the electrical transport of the metal-NT-metal system as a function of the NT distortion.