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Effects of uniaxial strain on the band structure of boron nitride nanotubes: a first principles study

Published online by Cambridge University Press:  27 March 2009

Z. G. Wang ,
Z. Li  and
D. M. Cheng
Z. G. Wang*
Affiliation:
Department of Applied Physics, University of Electronic Science and Technology of China, 610054 Chengdu, P.R. China
Z. Li
Affiliation:
Department of Applied Physics, University of Electronic Science and Technology of China, 610054 Chengdu, P.R. China
D. M. Cheng
Affiliation:
Department of Applied Physics, University of Electronic Science and Technology of China, 610054 Chengdu, P.R. China
*
zgwang@uestc.edu.cn
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Abstract

First principles density functional calculations are used to study the uniaxial strain effects on the energy band structures of single- and multi-walled boron nitride nanotubes. Simulation results show that tensile strain induces a slight decrease in band gaps, while small and large compressive strains induce slight increases and decreases of band gaps, respectively. The maximum change of the band gap is ~0.5 eV. The band structures of all the nanotubes are not sensitive to uniaxial strain, which means that the boron nitride nanotubes could be used in blue and UV light-emitting devices under large uniaxial strain.

Keywords

Type
Research Article
Information
The European Physical Journal - Applied Physics , Volume 46 , Issue 2 , May 2009 , 20601
Copyright
© EDP Sciences, 2009

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