Influencing range of vacancy defects in zigzag single-walled carbon nanotubes

doi:10.1088/1674-1056/19/2/027102

中国物理B ›› 2010, Vol. 19 ›› Issue (2): 27102-027102.doi: 10.1088/1674-1056/19/2/027102

Influencing range of vacancy defects in zigzag single-walled carbon nanotubes

李丰颖¹, 罗煜聘², 田力耕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:2008-10-16 修回日期:2009-05-26 出版日期:2010-02-15 发布日期:2010-02-15

Influencing range of vacancy defects in zigzag single-walled carbon nanotubes

Luo Yu-Pin(罗煜聘)^a), Tien Li-Gan(田力耕)^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:2008-10-16 Revised:2009-05-26 Online:2010-02-15 Published:2010-02-15

摘要/Abstract

摘要： The influencing range of a vacancy defect in a zigzag single-walled nanotube is characterized with both structural deformation and variation in bandstructure. This paper proposes a microscopic explanation to relate the structural deformation to the bandstructure variation. With an increasing defect density, the nanotubes become oblate and the energy gap between the deep localized gap state and the conducting band minimum state decreases. Theoretical results shed some light on the local energy gap engineering via vacancy density for future potential applications.

Abstract: The influencing range of a vacancy defect in a zigzag single-walled nanotube is characterized with both structural deformation and variation in bandstructure. This paper proposes a microscopic explanation to relate the structural deformation to the bandstructure variation. With an increasing defect density, the nanotubes become oblate and the energy gap between the deep localized gap state and the conducting band minimum state decreases. Theoretical results shed some light on the local energy gap engineering via vacancy density for future potential applications.

Key words: single-walled carbon nanotube, vacancy defect

中图分类号: (Nanotubes)

61.46.Fg

73.22.-f (Electronic structure of nanoscale materials and related systems) 71.55.Ht (Other nonmetals) 61.72.J- (Point defects and defect clusters)

罗煜聘, 田力耕, 李明宪, 李丰颖. Influencing range of vacancy defects in zigzag single-walled carbon nanotubes[J]. 中国物理B, 2010, 19(2): 27102-027102.

Luo Yu-Pin(罗煜聘), Tien Li-Gan(田力耕), Lee Ming-Hsien(李明宪), and Li Feng-Yin(李丰颖). Influencing range of vacancy defects in zigzag single-walled carbon nanotubes[J]. Chin. Phys. B, 2010, 19(2): 27102-027102.

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Influencing range of vacancy defects in zigzag single-walled carbon nanotubes

Influencing range of vacancy defects in zigzag single-walled carbon nanotubes

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