{ "contributor-id" "a037a4a6-b6a0-4aa0-874f-f428e0deca69" "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. The potential was derived from fits and tests to energies of bulk, surface, layered, and self-interstitial structures and is designed for tetrahedral silicon silicon structures (diamond and amorphous phases)." "developer" [ "faa52b3a-8b3b-44ba-b2f8-9a98744306ea" "04a2fb96-8ab8-403d-a2ee-358939c002d2" ] "doi" "10.25950/68983f48" "domain" "openkim.org" "extended-id" "ThreeBodyCluster_BH_BiswasHamann_1987_Si__MO_019616213550_000" "kim-api-version" "2.0" "maintainer-id" "a037a4a6-b6a0-4aa0-874f-f428e0deca69" "model-driver" "ThreeBodyCluster_BH__MD_043141570610_000" "potential-type" "bh" "publication-year" "2019" "source-citations" [ { "author" "Biswas, R. and Hamann, D. R." "doi" "10.1103/PhysRevB.36.6434" "issue" "12" "journal" "Phys. Rev. B" "pages" "6434--6445" "recordkey" "MO_019616213550_000a" "recordprimary" "recordprimary" "recordtype" "article" "title" "New classical models for silicon structural energies" "volume" "36" "year" "1987" } ] "species" [ "Si" ] "title" "Three-body cluster potential for Si by Biswas and Hamann (1987) v000" }