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

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

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.

Keywords: single-walled carbon nanotube vacancy defect

Received: 16 October 2008
Revised: 26 May 2009
Accepted manuscript online:

PACS:	61.46.Fg	(Nanotubes)
	73.22.-f	(Electronic structure of nanoscale materials and related systems)
	71.55.Ht	(Other nonmetals)
	61.72.J-	(Point defects and defect clusters)

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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 2010 Chin. Phys. B 19 027102

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

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