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Cohesive mechanism and energy bands of solidC60
Abstract
We present microscopic total-energy calculations which provide a cohesive property and electronic structures of a new form of solid carbon, the face-centered-cubic ${\mathrm{C}}_{60}$ crystal (fcc ${\mathrm{C}}_{60}$). We find that ${\mathrm{C}}_{60}$ clusters are condensed by van der Waals force, and that the resulting fcc ${\mathrm{O}}_{60}$ is a novel semiconductor with direct energy gap of 1.5 eV at the Brillouin-zone boundary (X point). We also find that an ``impurity'' ${\mathrm{C}}_{60}$K cluster induces a shallow donor state in fcc ${\mathrm{C}}_{60}$.
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Citations
Cites
Self-Consistent Equations Including Exchange and Correlation Effects
Kohn, W., & Sham, L. J. (1965) · Physical Review · doi:10.1103/physrev.140.a1133 · Cited by 64,135
Self-interaction correction to density-functional approximations for many-electron systems
Perdew, J. P., & Zunger, A. (1981) · Physical Review B · doi:10.1103/physrevb.23.5048 · Cited by 20,887
Cited by
Helical microtubules of graphitic carbon
Iijima, S. (1991) · Nature · doi:10.1038/354056a0 · Cited by 43,098
Superconductivity in fullerides
Gunnarsson, O. (1997) · Reviews of Modern Physics · doi:10.1103/revmodphys.69.575 · Cited by 991
Superconductivity at 33 K in CsxRbyC60
Tanigaki, K., Ebbesen, T. W., Saito, S., Mizuki, J., Tsai, J. S., Kubo, Y., & Kuroshima, S. (1991) · Nature · doi:10.1038/352222a0 · Cited by 939
Self-citationMoriarty, P. (2001) · Reports on Progress in Physics · doi:10.1088/0034-4885/64/3/201 · Cited by 785
Band gap, excitons, and Coulomb interaction in solidC60
Lof, R. W., van Veenendaal, M. A., Koopmans, B., Jonkman, H. T., & Sawatzky, G. A. (1992) · Physical Review Letters · doi:10.1103/physrevlett.68.3924 · Cited by 760
Metadata
- Authors
- Saito, S., & Oshiyama, A.
- Venue
- Physical Review Letters
- Publisher
- American Physical Society (APS)
- Published
- 1991-05-20
- Volume
- 66
- Issue
- 20
- Pages
- 2637-2640
- ISSN
- 0031-9007 (ISSN-L)
- OpenAlex
- W1964869747
- Cited by
- 1,004
- References
- 2
- FWCI
- 141.85
- Type
- journal article
- Language
- en
- Open access
- closed
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- Saito, S., & Oshiyama, A. (1991). Cohesive mechanism and energy bands of solidC60. Physical Review Letters. https://doi.org/10.1103/physrevlett.66.2637
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
