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

Gunn Kim; J. Bernholc; Young Kyun Kwon

doi:10.1063/1.3478237

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

Gunn Kim
, J. Bernholc
, Young Kyun Kwon

Research output: Contribution to journal › Article › peer-review

27 Citations (Scopus)

Abstract

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.

Original language	English
Article number	063113
Journal	Applied Physics Letters
Volume	97
Issue number	6
DOIs	https://doi.org/10.1063/1.3478237
Publication status	Published - 9 Aug 2010

Bibliographical note

Funding Information:
This work was supported by Grant No. KHU-20100119 from Kyung Hee University in 2010 (G.K. and Y.-K.K.) and DOE under Grant No. DE-FG02-98ER45685 (J.B.).

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abstract = "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.",

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AU - Kwon, Young Kyun

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N2 - 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.

AB - 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.

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

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