Tersoff-style three-body potential for SiC developed by Tersoff (1989) v004

Tobias Brink; Jerry Tersoff

doi:10.25950/4bbc5883

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Tersoff_LAMMPS_Tersoff_1989_SiC__MO_171585019474_004

Interatomic potential for Carbon (C), Silicon (Si).
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Title A single sentence description.	Tersoff-style three-body potential for SiC developed by Tersoff (1989) v004
Description 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 silicon carbide potential (PRB 39, 1989). A general form is proposed for an empirical interatomic potential for multicomponent systems. This form interpolates between potentials for the respective elements to treat heteronuclear bonds. The approach is applied to C-Si and Si-Ge systems. In particular, the properties of SiC and its defects are well described.
Species The supported atomic species.	C, Si
Disclaimer A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.	None

Contributor	Tobias Brink
Maintainer	Tobias Brink
Implementer	Tobias Brink
Developer	Jerry Tersoff
Published on KIM	2021
How to Cite	This Model originally published in [1-2] is archived in OpenKIM [3-6]. [1] Tersoff J. Modeling solid-state chemistry: Interatomic potentials for multicomponent systems. Physical Review B [Internet]. 1989Mar;39(8):5566–8. Available from: https://link.aps.org/doi/10.1103/PhysRevB.39.5566 doi:10.1103/PhysRevB.39.5566 — (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] Tersoff J. Erratum: Modeling solid-state chemistry: Interatomic potentials for multicomponent systems. Physical Review B [Internet]. 1990Feb;41(5):3248–. Available from: https://link.aps.org/doi/10.1103/PhysRevB.41.3248.2 doi:10.1103/PhysRevB.41.3248.2 [3] Brink T, Tersoff J. Tersoff-style three-body potential for SiC developed by Tersoff (1989) v004. OpenKIM; 2021. doi:10.25950/4bbc5883 [4] 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 [5] 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 [6] 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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