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Structural and Electronic Properties of Amorphous Carbon
Abstract
An amorphous carbon structure is obtained with a computer simulation based on a first-principles molecular-dynamics method, in which the interatomic potential is constructed directly from the electronic ground state, using density-functional techniques. From our results, which agree well with the limited experimental information available, we analyze the short-range order, particularly the fractions of $s{p}^{2}$ and $s{p}^{3}$ sites, together with the electronic properties.
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Citations
Cited by
Analysis of separable potentials
Gonze, X., Stumpf, R., & Scheffler, M. (1991) · Physical Review B · doi:10.1103/physrevb.44.8503 · Cited by 605
Metadata
- Authors
- Galli, G., Martin, R. M., Car, R., & Parrinello, M.
- Venue
- Physical Review Letters
- Publisher
- American Physical Society (APS)
- Published
- 1989-01-30
- Volume
- 62
- Issue
- 5
- Pages
- 555-558
- ISSN
- 0031-9007 (ISSN-L)
- OpenAlex
- W1972749229
- Cited by
- 322
- References
- 0
- FWCI
- 29.13
- Type
- journal article
- Language
- en
- Open access
- closed
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- Galli, G., Martin, R. M., Car, R., & Parrinello, M. (1989). Structural and Electronic Properties of Amorphous Carbon. Physical Review Letters. https://doi.org/10.1103/physrevlett.62.555
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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).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
