Band-gap change of carbon nanotubes: Effect of small uniaxial and torsional strain

Phys. Rev. B 60, 13874 – Published 15 November 1999
Liu Yang, M. P. Anantram, Jie Han, and J. P. Lu

Abstract

We use a simple picture based on the π electron approximation to study the band-gap variation of carbon nanotubes with uniaxial and torsional strain. We find (i) that the magnitude of slope of band gap versus strain has an almost universal behavior that depends on the chiral angle, (ii) that the sign of slope depends on the value of (n-m) mod 3, and (iii) a novel change in sign of the slope of band gap versus uniaxial strain arising from a change in the value of the quantum number corresponding to the minimum band gap. Four orbital calculations are also presented to show that the π orbital results are valid.

DOI: http://dx.doi.org/10.1103/PhysRevB.60.13874

  • Received 15 December 1998
  • Revised 11 August 1999
  • Published in the issue dated 15 November 1999

© 1999 The American Physical Society

Authors & Affiliations

Liu Yang

  • Thermosciences Institute, NASA Ames Research Center, Mail Stop 230-3, Moffett Field, California 94035-1000

M. P. Anantram*, Jie Han, and J. P. Lu

  • NASA Ames Research Center, Mail Stop T27A-1, Moffett Field, California 94035-1000

  • *Author to whom correspondence should be addressed. Electronic address: anant@nas.nasa.gov
  • Permanent address: CB 3255 Phillips Hall, University of North Carolina–Chapel Hill, Chapel Hill, NC 27599.

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