Dependence of the electrical properties of defective single-walled carbon nanotubes on the vacancy density

doi:10.1088/1674-1056/20/8/087303

中国物理B ›› 2011, Vol. 20 ›› Issue (8): 87303-087303.doi: 10.1088/1674-1056/20/8/087303

Dependence of the electrical properties of defective single-walled carbon nanotubes on the vacancy density

李丰颖¹, 罗煜聘², 田力耕³, 蔡春鸿³, 李明宪⁴

(1)Department of Chemistry, National Chung Hsing University, Taichung, Taiwan 420, China; (2)Department of Electronic Engineering, National Formosa University, Yunlin County, Taiwan 632, China; (3)Department of Engineering and System Science, National Tsing Hua University, Hsin Chu, Taiwan 300, China; (4)Department of Physics, Tamkang University, Tamsui, Taipei County, Taiwan 251, China

收稿日期:2010-11-29 修回日期:2011-01-12 出版日期:2011-08-15 发布日期:2011-08-15

Dependence of the electrical properties of defective single-walled carbon nanotubes on the vacancy density

Luo Yu-Pin(罗煜聘)^a), Tien Li-Gan(田力耕)^b), Tsai Chuen-Horng(蔡春鸿)^b), Lee Ming-Hsien(李明宪)^c), and Li Feng-Yin(李丰颖)^d)^†

^a Department of Electronic Engineering, National Formosa University, Yunlin County, Taiwan 632, China; ^b Department of Engineering and System Science, National Tsing Hua University, Hsin Chu, Taiwan 300, China; ^c Department of Physics, Tamkang University, Tamsui, Taipei County, Taiwan 251, China; ^d Department of Chemistry, National Chung Hsing University, Taichung, Taiwan 420, China

Received:2010-11-29 Revised:2011-01-12 Online:2011-08-15 Published:2011-08-15

摘要/Abstract

摘要： The relationship between the electric properties and the vacancy density in single-walled carbon nanotubes has been investigated from first principles as well as the dependence of the influencing range of a vacancy in the nanotube on the nanotube chirality. Compared with the long-range interaction of the vacancies in a single-walled carbon nanotube with non-zero chiral angle, a much shorter interaction was found between vacancies in a zigzag single-walled carbon nanotube. In this study, we investigated the bandstructure fluctuations caused by the nanotube strain, which depends on both the vacancy density and the tube chirality. These theoretical results provide new insight to understand the relationship between the local deformation of a defective single-walled carbon nanotube and its measurable electronic properties.

关键词: chiral carbon nanotube, mono-vacancy defect, energy gap

Abstract: The relationship between the electric properties and the vacancy density in single-walled carbon nanotubes has been investigated from first principles as well as the dependence of the influencing range of a vacancy in the nanotube on the nanotube chirality. Compared with the long-range interaction of the vacancies in a single-walled carbon nanotube with non-zero chiral angle, a much shorter interaction was found between vacancies in a zigzag single-walled carbon nanotube. In this study, we investigated the bandstructure fluctuations caused by the nanotube strain, which depends on both the vacancy density and the tube chirality. These theoretical results provide new insight to understand the relationship between the local deformation of a defective single-walled carbon nanotube and its measurable electronic properties.

Key words: chiral carbon nanotube, mono-vacancy defect, energy gap

中图分类号: (Electronic structure of nanoscale materials and related systems)

73.22.-f

73.63.Fg (Nanotubes) 71.15.Mb (Density functional theory, local density approximation, gradient and other corrections)

罗煜聘, 田力耕, 蔡春鸿, 李明宪, 李丰颖. Dependence of the electrical properties of defective single-walled carbon nanotubes on the vacancy density[J]. 中国物理B, 2011, 20(8): 87303-087303.

Luo Yu-Pin(罗煜聘), Tien Li-Gan(田力耕), Tsai Chuen-Horng(蔡春鸿), Lee Ming-Hsien(李明宪), and Li Feng-Yin(李丰颖) . Dependence of the electrical properties of defective single-walled carbon nanotubes on the vacancy density[J]. Chin. Phys. B, 2011, 20(8): 87303-087303.

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Dependence of the electrical properties of defective single-walled carbon nanotubes on the vacancy density

Dependence of the electrical properties of defective single-walled carbon nanotubes on the vacancy density

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