The DOI matches its Crossref record; 1 of the 1 references it cites were found in a registry or an index.
Structural, Dymanical, and Electronic Properties of Amorphous Silicon: An ab initio Molecular-Dynamics Study
Abstract
An amorphous silicon structure is obtained with a computer simulation based on a new moleculardynamics technique in which the interatomic potential is derived from a parameter-free quantum-mechanical method. Our results for the atomic structure, the phonon spectrum, and the electronic properties are in excellent agreement with experiment. In addition we study details of the microscopic dynamics which are not directly accessibly to experiment. We find in particular that structural defects are associated with weak bonds. These may give rise to low-frequency vibrational modes.
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Citations
Cites
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
Metadata
- Authors
- Car, R., & Parrinello, M.
- Venue
- Physical Review Letters
- Publisher
- American Physical Society (APS)
- Published
- 1988-01-18
- Volume
- 60
- Issue
- 3
- Pages
- 204-207
- ISSN
- 0031-9007 (ISSN-L)
- OpenAlex
- W2023456054
- Cited by
- 391
- References
- 1
- FWCI
- 50.13
- Type
- journal article
- Language
- en
- Open access
- closed
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- Car, R., & Parrinello, M. (1988). Structural, Dymanical, and Electronic Properties of Amorphous Silicon: An ab initio Molecular-Dynamics Study. Physical Review Letters. https://doi.org/10.1103/physrevlett.60.204
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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.
