Effects of uniaxial strain on the band structure of boron nitride nanotubes: a first principles study
Department of Applied Physics, University of Electronic Science and Technology of China, 610054 Chengdu, P.R. China
Corresponding author: email@example.com
Accepted: 19 January 2009
Published online: 27 March 2009
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.
PACS: 73.22.-f – Electronic structure of nanoscale materials: clusters, nanoparticles, nanotubes, and nanocrystals / 71.20.Nr – Semiconductor compounds
© EDP Sciences, 2009