Electronic properties of carbon nanotubes containing defects
The electronic structure of carbon nanotubes containing defects is investigated within a tight-binding framework. The electronic properties of the following defects are examined: (a) a hemispheric cap ending a (10, 10) tubule, (b) a pair of pentagon and heptagon aligned along the same side of the tu...
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| Published in: | The Journal of physics and chemistry of solids Vol. 58; no. 11; pp. 1833 - 1837 |
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| Main Authors: | , , |
| Format: | Journal Article |
| Language: | English |
| Published: |
Elsevier Ltd
01-11-1997
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| Online Access: | Get full text |
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| Summary: | The electronic structure of carbon nanotubes containing defects is investigated within a tight-binding framework. The electronic properties of the following defects are examined: (a) a hemispheric cap ending a (10, 10) tubule, (b) a pair of pentagon and heptagon aligned along the same side of the tube, which widens the diameter, (c) a pair of diametrically-opposed heptagon and pentagon, which bends the structure, and (d) sp
3-like lines responsible for polygonization. In cases (a)–(c), a structural optimization was performed, either by minimization of a valence-force field adapted to the carbon network or by tight-binding molecular dynamics. |
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| ISSN: | 0022-3697 1879-2553 |
| DOI: | 10.1016/S0022-3697(97)00095-4 |