The DOI matches its Crossref record; 13 of the 13 references it cites were found in a registry or an index.
Hybridization effects and metallicity in small radius carbon nanotubes
Abstract
Hybridization of the ${\mathrm{\ensuremath{\sigma}}}^{\mathrm{*}}$ and ${\mathrm{\ensuremath{\pi}}}^{\mathrm{*}}$ states of the graphene network is shown to be as important as band-folding effects in determining the metallicity of small radius carbon nanotubes. Using detailed plane-wave ab initio pseudopotential local density functional (LDA) calculations, we find that the electronic properties of small tubes are significantly altered from those obtained in previous tight-binding calculations. Strongly modified low-lying conduction band states are introduced into the band gap of insulating tubes because of strong ${\mathrm{\ensuremath{\sigma}}}^{\mathrm{*}\mathrm{\ensuremath{-}}}$${\mathrm{\ensuremath{\pi}}}^{\mathrm{*}}$ hybridization. As a result, the LDA gaps of some tubes are lowered by more than 50%, and a tube previously predicted to be semiconducting is shown to be metallic.
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Citations
Cites
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Cited by
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
Theory of Electronic States and Transport in Carbon Nanotubes
Ando, T. (2005) · Journal of the Physical Society of Japan · doi:10.1143/jpsj.74.777 · Cited by 893
Mechanical properties of carbon nanotubes: a fiber digest for beginners
Salvetat-Delmotte, J.-P., & Rubio, A. (2002) · Carbon · doi:10.1016/s0008-6223(02)00012-x · Cited by 414
Magnetic properties of vacancies in graphene and single-walled carbon nanotubes
Ma, Y., Lehtinen, P. O., Foster, A. S., & Nieminen, R. M. (2004) · New Journal of Physics · doi:10.1088/1367-2630/6/1/068 · Cited by 406
Metadata
- Authors
- Blase, X., Benedict, L. X., Shirley, E. L., & Louie, S. G.
- Venue
- Physical Review Letters
- Publisher
- American Physical Society (APS)
- Published
- 1994-03-21
- Volume
- 72
- Issue
- 12
- Pages
- 1878-1881
- ISSN
- 0031-9007 (ISSN-L)
- OpenAlex
- W1974273269
- Cited by
- 991
- References
- 13
- FWCI
- 21.16
- Type
- journal article
- Language
- en
- Open access
- closed
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- Blase, X., Benedict, L. X., Shirley, E. L., & Louie, S. G. (1994). Hybridization effects and metallicity in small radius carbon nanotubes. Physical Review Letters. https://doi.org/10.1103/physrevlett.72.1878
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Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
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