The DOI matches its Crossref record; 1 of the 1 references it cites were found in a registry or an index.
Systematic ab initio study of curvature effects in carbon nanotubes
Open accessAbstract
We investigate curvature effects on geometric parameters, energetics, and electronic structure of zigzag nanotubes with fully optimized geometries from first-principle calculations. The calculated curvature energies, which are inversely proportional to the square of radius, are in good agreement with the classical elasticity theory. The variation of the band gap with radius is found to differ from simple rules based on the zone folded graphene bands. Large discrepancies between tight binding and first-principles calculations of the band gap values of small nanotubes are discussed in detail.
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Citations
Cites
Size, Shape, and Low Energy Electronic Structure of Carbon Nanotubes
Kane, C. L., & Mele, E. J. (1997) · Physical Review Letters · doi:10.1103/physrevlett.78.1932 · Cited by 1,048
Cited by
Systematic study of adsorption of single atoms on a carbon nanotube
Durgun, E., Dag, S., Bagci, V. M. K., Gülseren, O., Yildirim, T., & Ciraci, S. (2003) · Physical Review B · doi:10.1103/physrevb.67.201401 · Cited by 329
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Metadata
- Authors
- Gülseren, O., Yildirim, T., & Ciraci, S.
- Venue
- Physical Review B
- Publisher
- American Physical Society (APS)
- Published
- 2002-03-28
- Volume
- 65
- Issue
- 15
- ISSN
- 0163-1829 (ISSN-L)
- 1095-3795
- OpenAlex
- W2002815846
- Cited by
- 257
- References
- 1
- FWCI
- 10.76
- Type
- journal article
- Language
- en
- Open access
- green
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