Acta Mechanica Sinica

, Volume 20, Issue 2, pp 192–198 | Cite as

The coupled effects of mechanical deformation and electronic properties in carbon nanotubes

  • Guo Wanlin
  • Guo Yufeng


Coupled effects of mechanical and electronic behavior in single walled carbon nanotubes are investigated by using quantum mechanics and quantum molecular dynamics. It is found that external applied electric fields can cause charge polarization and significant geometric deformation in metallic and semi-metallic carbon nanotubes. The electric induced axial tension ratio can be up to 10% in the armchair tube and 8.5% in the zigzag tube. Pure external applied load has little effect on charge distribution, but indeed influences the energy gap. Tensile load leads to a narrower energy gap and compressive load increases the gap. When the CNT is tensioned under an external electric field, the effect of mechanical load on the electronic structures of the CNT becomes significant, and the applied electric field may reduce the critical mechanical tension load remarkably. Size effects are also discussed.

Key Words

quantum mechanics quantum-molecular dynamics single-walled carbon nanotube coupled effect mechanical-electronic property 


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Copyright information

© Chinese Society of Theoretical and Applied Mechanics 2004

Authors and Affiliations

  • Guo Wanlin
    • 1
    • 2
  • Guo Yufeng
    • 1
  1. 1.Institute of NanoscienceNanjing University of Aeronautics and AstronauticsNanjingChina
  2. 2.Department of Engineering MechanicsXi'an Jiaotong UniversityXi'anChina

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