The DOI matches its Crossref record; 27 of the 27 references it cites were found in a registry or an index.
Electrostatic potentials for metal-oxide surfaces and interfaces
Abstract
As most technologically important metals will form oxides readily, any complete study of adhesion at real metal surfaces must include the metal-oxide interface. The role of this ubiquitous oxide layer cannot be overlooked, as the adhesive properties of the oxide or oxide-metal system can be expected to differ profoundly from the adhesive properties of a bare metal surface. We report on the development of a computational method for molecular-dynamics simulations, which explicitly includes variable charge transfer between anions and cations. This method is found to be capable of describing the elastic properties, surface energies, and surface relaxation of crystalline metal oxides accurately. We discuss in detail results using this method for \ensuremath{\alpha}-alumina and several of its low-index faces.
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Cites
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Cited by
Thompson, A. P., Aktulga, H. M., Berger, R., Bolintineanu, D. S., Brown, W. M., Crozier, P. S., in 't Veld, P. J., Kohlmeyer, A., Moore, S. G., Nguyen, T. D., et al. (2022) · Computer Physics Communications · doi:10.1016/j.cpc.2021.108171 · Cited by 12,598
Molecular dynamics study of structural properties of amorphousAl2O3
Gutiérrez, G., & Johansson, B. (2002) · Physical Review B · doi:10.1103/physrevb.65.104202 · Cited by 347
Simulating the fabrication of aluminium oxide tunnel junctions
Cyster, M. J., Smith, J. S., Vogt, N., Opletal, G., Russo, S. P., & Cole, J. H. (2021) · npj Quantum Information · doi:10.1038/s41534-020-00360-4 · Cited by 34
Metadata
- Authors
- Streitz, F. H., & Mintmire, J. W.
- Venue
- Physical Review B
- Publisher
- American Physical Society (APS)
- Published
- 1994-10-15
- Volume
- 50
- Issue
- 16
- Pages
- 11996-12003
- ISSN
- 0163-1829 (ISSN-L)
- 1095-3795
- OpenAlex
- W1972295667
- Cited by
- 405
- References
- 27
- FWCI
- 6.46
- Type
- journal article
- Language
- en
- Open access
- closed
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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.
