Abstract
Reduction of the gap in a (10,0) carbon nanotube with vacancies is obtained with the CASTEP 4.2 code. Molecular Dynamics simulations show that the vacancy distribution is important for the tube stability under stress.
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References
Hristo Iliev and Ana Proykova, Mechanically induced defects in single-wall carbon nanotubes, in: Meetings in Physics @ University of Sofia edited by A. Proykova, vol. 5 (Heron Press, Sofia, 2004) pp. 87–91.
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ILIEV, H., PROYKOVA, A., LI, FY. (2006). CARBON NANOTUBES WITH VACANCIES UNDER EXTERNAL MECHANICAL STRESS AND ELECTRIC FIELD. In: Popov, V.N., Lambin, P. (eds) Carbon Nanotubes. NATO Science Series II: Mathematics, Physics and Chemistry, vol 222. Springer, Dordrecht. https://doi.org/10.1007/1-4020-4574-3_34
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DOI: https://doi.org/10.1007/1-4020-4574-3_34
Publisher Name: Springer, Dordrecht
Print ISBN: 978-1-4020-4572-1
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