The DOI matches its Crossref record; 2 of the 2 references it cites were found in a registry or an index.
First-Principles Calculation of Transport Properties of a Molecular Device
Abstract
We report first-principles calculations of the current-voltage ( I-V) characteristics of a molecular device and compare with experiment. We find that the shape of the I-V curve is largely determined by the electronic structure of the molecule, while the presence of single atoms at the molecule-electrode interface play a key role in determining the absolute value of the current. The results show that such simulations would be useful for the design of future microelectronic devices for which the Boltzmann-equation approach is no longer applicable.
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Citations
Cites
Generalized Gradient Approximation Made Simple
Perdew, J. P., Burke, K., & Ernzerhof, M. (1996) · Physical Review Letters · doi:10.1103/physrevlett.77.3865 · Cited by 215,824
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
Cited by
Molecular Electronic Junctions
McCreery, R. L. (2004) · Chemistry of Materials · doi:10.1021/cm049517q · Cited by 555
Metadata
- Authors
- Di Ventra, M., Pantelides, S. T., & Lang, N. D.
- Venue
- Physical Review Letters
- Publisher
- American Physical Society (APS)
- Published
- 2000-01-31
- Volume
- 84
- Issue
- 5
- Pages
- 979-982
- ISSN
- 0031-9007 (ISSN-L)
- 1079-7114
- OpenAlex
- W2007361212
- Cited by
- 875
- References
- 2
- FWCI
- 74.06
- Type
- journal article
- Language
- en
- Open access
- closed
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- Di Ventra, M., Pantelides, S. T., & Lang, N. D. (2000). First-Principles Calculation of Transport Properties of a Molecular Device. Physical Review Letters. https://doi.org/10.1103/physrevlett.84.979
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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.
