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Ab initio investigations of the transport properties of Haeckelite nanotubes

Ye-Fei Li et al 2008 J. Phys.: Condens. Matter 20 415207 (10pp)   doi: 10.1088/0953-8984/20/41/415207  Help

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Ye-Fei Li, Bing-Rui Li1 and Hao-Li Zhang
State Key Laboratory of Applied Organic Chemistry (SKLAOC), College of Chemistry and Chemical Engineering, Lanzhou University, Lanzhou 730000, People's Republic of China
1 Author to whom any correspondence should be addressed
E-mail: bingruili@gmail.com

Abstract. A systematic investigation of the electronic transport properties of Haeckelite nanotubes using ab initio calculation is presented. The Haeckelite nanotube is coupled with Haeckelite nanotubes and bulk Au electrodes, respectively. Negative differential resistance and nonlinear conduction phenomena have been observed in the simulated IV curves. Our results suggest that this behavior is attributable to the band mismatch between left and right electrodes, which implies that some intriguing electronic transport characteristics could be realized by using nanoscale electrodes.

Print publication: Issue 41 (15 October 2008)
Received 9 May 2008, in final form 18 August 2008
Published 12 September 2008

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