Structural and electronic properties of carbon nanotubes

Date

2000-02-01

Author

Erkoç, Şakir

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The structural and electronic properties of optimized open-ended single-wall carbon nanotubes with zigzag geometry have been investigated. The calculations were performed using molecular mechanics, extended Huckel, and AM1-RHF semiempirical molecular orbital methods. it has been found that the density of states of the zigzag model is sensitive to the tube size and changes as the tube length increases. On the other hand the energetics of the tube shows an almost linear dependence to the tube length, and a converging characteristics with respect to the number of hexagons forming the tube.

Subject Keywords

Carbon nanotubes, Electronic structure, Semiempirical methods

URI

https://hdl.handle.net/11511/54555

Journal

INTERNATIONAL JOURNAL OF MODERN PHYSICS C

DOI

https://doi.org/10.1142/s0129183100000158

Collections

Department of Physics, Article

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Citation Formats

Ş. Erkoç, “Structural and electronic properties of carbon nanotubes,” INTERNATIONAL JOURNAL OF MODERN PHYSICS C, pp. 175–182, 2000, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/54555.