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Band gap control of small bundles of carbon nanotubes using applied electric fields: A density functional theory study

Source: Appl. Phys. Lett. 97, 063113 (2010); doi:10.1063/1.3478237

Published 13 August 2010

KEYWORDS and PACS
Keywords
PACS
  • 73.22.-f
    Electronic structure of nanoscale materials
  • 71.20.Mq
    Electronic structure of crystalline elemental semiconductors
  • 71.15.Mb
    Density functional theory, local density approximation, gradient and other corrections (condensed matter electronic structure)
  • YEAR: 2010
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PUBLICATION DATA
ISSN:
1553-9644 (online)
Publisher:
AIP is a member of CrossRef AIP
Gunn Kim,1 J. Bernholc,2,3 and Young-Kyun Kwon1
1Department of Physics, Research Institute for Basic Sciences, Kyung Hee University, Seoul 130-701, Republic of Korea
2Department of Physics, CHiPS, North Carolina State University, Raleigh, North Carolina 27695-7518, USA
3CSMD, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831-6359, USA
Electrostatic screening between carbon nanotubes (CNTs) in a small CNT bundle leads to a switching behavior induced by electric field perpendicular to the bundle axis. Using a first-principles method, we investigate the electronic structures of bundles consisting of two or three CNTs and the effects of the electric field applied perpendicular to the bundle axis. The applied field causes band gap closure in semiconducting bundles, while a gap opening occurs in metallic ones, which enables considerable modulation of bundle conductivity. The modulation effect originates from symmetry breaking due to electrostatic screening between the adjacent tube walls. ©2010 American Institute of Physics
History: Received 27 April 2010; accepted 21 July 2010; published 13 August 2010
Permalink: http://link.aip.org/link/?APPLAB/97/063113/1

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