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Three-body bond-order (Tersoff-style) potential by Wang and Rockett (1991) v000
Description A modified form of the Tersoff empirical interatomic potential originally developed to model silicon surfaces. It includes a screened-Morse-potential tail to the bulk Tersoff interaction behavior which is important when tetrahedral coordination is disrupted.
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
Contributor Ramanish Singh
Maintainer Ramanish Singh
Implementer Ramanish Singh
Daniel S. Karls
Developer Jun Wang
Angus Rockett
Published on KIM 2019
How to Cite

This Model Driver originally published in [1] is archived in OpenKIM [2-4].

[1] Wang J, Rockett A. Simulating diffusion on Si(001) 2x1 surfaces using a modified interatomic potential. Phys Rev B. 1991;43(15):12571–9. doi:10.1103/PhysRevB.43.12571

[2] Singh R, Karls DS, Wang J, Rockett A. Three-body bond-order (Tersoff-style) potential by Wang and Rockett (1991) v000. OpenKIM; 2019. doi:10.25950/29dfb23c

[3] 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

[4] 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.
Funding Not available
Short KIM ID
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Extended KIM ID
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DOI 10.25950/29dfb23c
KIM Item TypeModel Driver
KIM API Version2.0
Programming Language(s)
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100.00% C

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Wiki Contributors
2019-05-09T10:43:28.491643 tadmor
2019-05-08T22:29:18.191398 ramanish
2019-05-08T22:28:30.134496 ramanish
2019-05-08T22:28:10.409265 ramanish
2019-05-08T22:27:50.117024 ramanish
2019-05-08T22:27:25.131713 ramanish
2019-05-08T22:13:13.669810 ramanish
2019-05-08T22:10:34.715777 ramanish
2019-05-08T22:05:56.524903 ramanish