STRUCTURAL AND ELECTRONIC PROPERTIES OF CARBON NANOTUBES

Şakir Erkoç ()
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Şakir Erkoç: Department of Physics, Middle East Technical University, 06531 Ankara, Turkey

International Journal of Modern Physics C (IJMPC), 2000, vol. 11, issue 01, 175-182

Abstract: 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 Hückel, 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.

Keywords: Carbon Nanotubes; Electronic Structure; Semiempirical Methods (search for similar items in EconPapers)
Date: 2000
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DOI: 10.1142/S0129183100000158

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