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Coupled Systems Mechanics   Volume 2, Number 2, June 2013, pages 147-157
DOI: https://doi.org/10.12989/csm.2013.2.2.147
 
Radial deformation and band-gap modulation of pressurized carbon nanotubes
Hisao Taira, Hiroyuki Shima, Yoshitaka Umeno and Motohiro Sato

 
Abstract     [Buy Article]
    We numerically investigate the electronic band structure of carbon nanotubes (CNTs) under radial corrugation. Hydrostatic pressure application to CNTs leads to a circumferential wave-like deformation of their initially circular cross-sections, called radial corrugations. Tight-binding calculation was performed to determine the band gap energy as a function of the amplitude of the radial corrugation. We found that the band gap increased with increasing radial corrugation amplitude; then, the gap started to decline at a critical amplitude and finally vanished. This non-monotonic gap variation indicated the metal-semiconductor-metal transition of CNTs with increasing corrugation amplitude. Our results provide a better insight into the structure-property relation of CNTs, thus advancing the CNT-based device development.
 
Key Words
    carbon nanotube; radial corrugation; electronic structure; band gap energy; numerical calculation
 
Address
1 Hisao Taira and Motohiro Sato: Division of Engineering and Policy for Sustainable Environment, Faculty of Engineering, Hokkaido University, Kita 13 Nishi 8, Kita-ku, Sapporo 060-8628, Japan;
2 Hiroyuki Shima: Department of Environmental Sciences & Interdisciplinary Graduate School of Medicine and Engineering, University of Yamanashi, 4-4-37, Takeda, Kofu, Yamanashi 400-8510, Japan;
3 Motohiro Sato: Institute of Industrial Science, The University of Tokyo, 4-6-1 Komaba, Meguro-ku, Tokyo 153-8505, Japan
 

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