A symmetry based investigation of the band gap of SWCNTs

• Authors: Mehdi Pakkhesal , Rahim Ghayour
• Languages of publication: EN

Abstracts

EN

In this paper we use symmetry of Single Walled Carbon Nanotubes (SWCNTs) to generate some types of virtual sub-bands that are lower in number than the real sub-bands obtained through conventional-TB. It is shown that the virtual sub-bands maintain the value of band gap. In obtaining the sub bands, the interactions of the nearest and the second and third-nearest neighbors are taken into account. As the consequence of lower number of sub-bands, a significant reduction in computational effort has occurred and made the approach useful.

Keywords

EN

helical symmetry; rotational symmetry; SWCNT; tight binding

Discipline

• 71.15.Ap: Basis sets (LCAO, plane-wave, APW, etc.) and related methodology (scattering methods, ASA, linearized methods, etc.)
• 71.20.Tx: Fullerenes and related materials; intercalation compounds
• 71.23.-k: Electronic structure of disordered solids

• Publisher: De Gruyter Open
• Journal: Open Physics
• Year: 2008
• Volume: 6
• Issue: 4
• Pages: 824-833

Dates

published

1 - 12 - 2008

online

27 - 9 - 2008

Contributors

author

Mehdi Pakkhesal

• Department of Electrical Engineering, Shiraz University, Shiraz, Iran

author

Rahim Ghayour

• Department of Electrical Engineering, Shiraz University, Shiraz, Iran

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Identifiers

DOI

10.2478/s11534-008-0108-z