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
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.
[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 Science292 702