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|Three-body cluster potential by Biswas and Hamann (1987) v000|
|Description||A theory of classical two- and three-body interatomic potentials is developed. The ability of the classical potentials to model quantum-mechanical local-density-functional calculations for a wide range of silicon structures is explored. In developing classical models it was found to be necessary to perform new local-density-functional calculations for self-interstitial and layered silicon structures. Two different potentials are derived from fits and tests to energies of bulk, surface, layered, and self-interstitial structures. One potential models bulk energies and high-pressure properties well; the other is more appropriate for properties of the tetrahedral structure. Simulated annealing is used to find low-energy structures for silicon-atom clusters.|
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|How to Cite||
This Model Driver originally published in  is archived in OpenKIM [2-4].
 Biswas R, Hamann DR. New classical models for silicon structural energies. Phys Rev B. 1987;36(12):6434–45. doi:10.1103/PhysRevB.36.6434
 Three-body cluster potential by Biswas and Hamann (1987) v000. OpenKIM; 2019. doi:10.25950/972369ee
 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
 Elliott RS, Tadmor EB. Knowledgebase of Interatomic Models (KIM) Application Programming Interface (API). OpenKIM; 2011. doi:10.25950/ff8f563aClick here to download the above citation in BibTeX format.
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|KIM Item Type||Model Driver|
|KIM API Version||2.0|
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