| CONDENSED MATTER: STRUCTURE, MECHANICAL AND THERMAL PROPERTIES |
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Electronic Band Structure of Carbon Nanotubes with Kekule Structure |
| Nguyen Ngoc Hieu1**, Le Cong Nhan2 |
1Center of Research and Development, Duy Tan University, K7/25 Quang Trung, Da Nang, Viet Nam
2Department of Environmental Science, Saigon University, 273 An Duong Vuong, Ho Chi Minh city, Viet Nam
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| Cite this article: |
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Nguyen Ngoc Hieu, Le Cong Nhan 2013 Chin. Phys. Lett. 30 096102 |
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Abstract Electronic band structure of carbon nanotubes with the Kekule structure is studied by the tight-binding approximation. We give a complete geometrical approach to structural properties of carbon nanotubes with bond alternation, including chiral and achiral tubes. When the Kekule is introduced, all carbon nanotubes become semiconducting with a small band gap at the Fermi level. The band gap of the carbon nanotubes depends only on the difference between C–C bond lengths or the resonance integrals.
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Received: 03 May 2013
Published: 21 November 2013
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| PACS: |
61.48.De
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(Structure of carbon nanotubes, boron nanotubes, and other related systems)
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31.15.aq
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(Strongly correlated electron systems: generalized tight-binding method)
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61.50.Lt
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(Crystal binding; cohesive energy)
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[1] Jorio A, Dresselhaus G and Dresselhaus M S 2008 Carbon Nanotubes: Advanced Topics in the Synthesis, Structure, Properties and Applications (Berlin: Springer-Verlag)
[2] Poklonski N A, Kislyakov E F, Vyrko S A, Hieu N N, Bubel' O N, Siahlo A I, Lebedeva I V, Knizhnik A A, Popov A M and Lozovik Yu E 2010 J. NanoPhoton. 4 041675
[3] Li C, Thostenson E T and Chou T W 2008 Compos. Sci. Technol. 68 1227
[4] Okahara K, Tanaka K, Aoki H, Sato T and Yamabe T 1994 Chem. Phys. Lett. 219 462
[5] Yang l, Anantram M P, Han J and Lu J P 1999 Phys. Rev. B 60 13874
[6] Viet N A, Ajiki H and Ando T 1994 J. Phys. Soc. Jpn. 63 3036
[7] Mintmire J W, Dunlap B I and White C T 1992 Phys. Rev. Lett. 68 631
[8] Harigaya K and Fujita M 1993 Phys. Rev. B 47 16563
[9] Figge M T, Mostovoy M and Knoester J 2002 Phys. Rev. B 65 125416
[10] Poklonski N A, Kislyakov E F, Hieu N N, Bubel' O N, Vyrko S A, Popov A M and Lozovik Yu E 2008 Chem. Phys. Lett. 464 187
[11] Poklonski N A, Ratkevich S V, Vyrko S A, Kislyakov E F, Bubel' O N, Popov A M, Lozovik Yu E, Hieu N N and Viet N A 2012 Chem. Phys. Lett. 545 71
[12] Mashreghi A and Moshksar M M 2010 Comput. Mater. Sci. 49 871
[13] Mashreghi A and Moshksar M M 2011 Comput. Mater. Sci. 50 934
[14] Saito R, Dresselhaus G and Dresselhaus M S 1998 Physical Properties of Carbon Nanotubes (London: Imperial College Press)
[15] Harrison W A 1998 Electronic Structure and the Properties of Solids: The Physics of the Chemical Bond (New York: Dover Publications)
[16] Ouyang M, Huang J L, Cheung C L and Lieber C M 2001 Science 292 702 |
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