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Interatomic potential for Silicon (Si).
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A single sentence description.
Tersoff T3 potential for silicon developed by Tersoff (1988) v004
A short description of the Model describing its key features including for example: type of model (pair potential, 3-body potential, EAM, etc.), modeled species (Ac, Ag, ..., Zr), intended purpose, origin, and so on.
Tersoff's T3 silicon potential (PRB 38, 1988). An alternative parametrization is given for a previous empirical interatomic potential for silicon. The new potential is designed to more accurately reproduce the elastic properties of silicon, which were poorly described in the earlier potential. The properties of liquid Si are also improved, but energies of surfaces are less accurate. Detailed tests of the new potential are described.
The supported atomic species.
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
Contributor Tobias Brink
Maintainer Tobias Brink
Implementer Tobias Brink
Developer Jerry Tersoff
Published on KIM 2021
How to Cite

This Model originally published in [1] is archived in OpenKIM [2-5].

[1] Tersoff J. Empirical interatomic potential for silicon with improved elastic properties. Physical Review B [Internet]. 1988Nov;38(14):9902–5. Available from: https://link.aps.org/doi/10.1103/PhysRevB.38.9902 doi:10.1103/PhysRevB.38.9902 — (Primary Source) A primary source is a reference directly related to the item documenting its development, as opposed to other sources that are provided as background information.

[2] Brink T, Tersoff J. Tersoff T3 potential for silicon developed by Tersoff (1988) v004. OpenKIM; 2021. doi:10.25950/d6e8a23e

[3] Brink T, Thompson AP, Farrell DE, Wen M, Tersoff J, Nord J, et al. Model driver for Tersoff-style potentials ported from LAMMPS v005. OpenKIM; 2021. doi:10.25950/9a7dc96c

[4] Tadmor EB, Elliott RS, Sethna JP, Miller RE, Becker CA. The potential of atomistic simulations and the Knowledgebase of Interatomic Models. JOM. 2011;63(7):17. doi:10.1007/s11837-011-0102-6

[5] Elliott RS, Tadmor EB. Knowledgebase of Interatomic Models (KIM) Application Programming Interface (API). OpenKIM; 2011. doi:10.25950/ff8f563a

Click here to download the above citation in BibTeX format.

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This panel provides information on past usage of this interatomic potential (IP) powered by the OpenKIM Deep Citation framework. The word cloud indicates typical applications of the potential. The bar chart shows citations per year of this IP (bars are divided into articles that used the IP (green) and those that did not (blue)). The complete list of articles that cited this IP is provided below along with the Deep Citation determination on usage. See the Deep Citation documentation for more information.

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