Tersoff T2 potential for silicon developed by Tersoff (1988) v004

Tobias Brink; Jerry Tersoff

doi:10.25950/cadc4e78

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Tersoff_LAMMPS_Tersoff_1988T2_Si__MO_245095684871_004

Interatomic potential for Silicon (Si).
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Title A single sentence description.	Tersoff T2 potential for silicon developed by Tersoff (1988) 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 T2 silicon potential (PRB 37, 1988). Empirical interatomic potentials permit the calculation of structural properties and energetics of complex systems. A new approach for constructing such potentials, by explicitly incorporating the dependence of bond order on local environment, permits an improved description of covalent materials. In particular, a new potential for silicon is presented, along with results of extensive tests which suggest that this potential provides a rather realistic description of silicon. The limitations of the potential are discussed in detail.
Species The supported atomic species.	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] is archived in OpenKIM [2-5]. [1] Tersoff J. New empirical approach for the structure and energy of covalent systems. Physical Review B [Internet]. 1988Apr;37(12):6991–7000. Available from: https://link.aps.org/doi/10.1103/PhysRevB.37.6991 doi:10.1103/PhysRevB.37.6991 — (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 T2 potential for silicon developed by Tersoff (1988) v004. OpenKIM; 2021. doi:10.25950/cadc4e78 [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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