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Cited by 365

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Au (100) Surface Reconstruction

Ercolessi, F., Tosatti, E., Parrinello, M.·1986·Physical Review Letters
DOI 10.1103/physrevlett.57.719
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Abstract

We study the structure of the reconstructed Au (100) surface, using a phenomenological Hamiltonian, including a many-body force term (the "glue"), carefully optimized to account for a vast variety of properties of solid and liquid gold. The optimal atomic configuration of (100) slabs is obtained by a molecular-dynamics strategy. We find that the glue term drives the reconstruction into a denser, quasitriangular surface layer. By variation of cell size and atom number, the lowest-energy configuration is found to be roughly (1\ifmmode\times\else\texttimes\fi{}5), and more precisely (34\ifmmode\times\else\texttimes\fi{}5), close to (26\ifmmode\times\else\texttimes\fi{}48) suggested by experiment.

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Metadata

Authors
Ercolessi, F., Tosatti, E., & Parrinello, M.
Venue
Physical Review Letters
Publisher
American Physical Society (APS)
Published
1986-08-11
Volume
57
Issue
6
Pages
719-722
ISSN
0031-9007 (ISSN-L)
DOI
10.1103/physrevlett.57.719
OpenAlex
W2090784005
Cited by
365
References
0
FWCI
10.55
Type
journal article
Language
en
Open access
closed

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CoChat. (2026). Citation check: Au (100) Surface Reconstruction. https://app.cochat.ai/papers/10.1103/physrevlett.57.719
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Ercolessi, F., Tosatti, E., & Parrinello, M. (1986). Au (100) Surface Reconstruction. Physical Review Letters. https://doi.org/10.1103/physrevlett.57.719

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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.