{
    "content-origin" "https://www.ctcms.nist.gov/potentials/entry/2017--Zhou-X-W-Jones-R-E-Chu-K--In-Ga-N/" 
    "contributor-id" "4ad03136-ed7f-4316-b586-1e94ccceb311" 
    "description" "This is a modified Stillinger-Weber potential for InGaN utilizing the polymorphic potential style recently implemented in LAMMPS. It overcomes the following two drawbacks of the standard Stillinger-Weber potential when applied to an A-B binary system: 1) the overestimation of the elastic constants of elements A and B 2) the prescription equal energy for zinc-blende and wurtzite crystals." 
    "developer" [
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    ] 
    "doi" "10.25950/de69a78d" 
    "domain" "openkim.org" 
    "executables" [] 
    "extended-id" "Sim_LAMMPS_Polymorphic_ZhouJonesChu_2017_GaInN__SM_887684855692_000" 
    "funding" [
        {
            "award-number" "180899" 
            "funder-identifier" "https://doi.org/10.13039/100007000" 
            "funder-identifier-type" "Crossref Funder ID" 
            "funder-name" "Laboratory Directed Research and Development" 
            "scheme-uri" "http://doi.org/"
        }
    ] 
    "kim-api-version" "2.2" 
    "maintainer-id" "4ad03136-ed7f-4316-b586-1e94ccceb311" 
    "potential-type" "polymorphic" 
    "publication-year" "2022" 
    "run-compatibility" "portable-models" 
    "simulator-name" "LAMMPS" 
    "simulator-potential" "polymorphic" 
    "source-citations" [
        {
            "abstractnote" "A Stillinger-Weber potential is computationally very efficient for molecular dynamics simulations. Despite its simple mathematical form, the Stillinger-Weber potential can be easily parameterized to ensure that crystal structures with tetrahedral bond angles (e.g., diamond-cubic, zinc-blende, and wurtzite) are stable and have the lowest energy. As a result, the Stillinger-Weber potential has been widely used to study a variety of semiconductor elements and alloys. When studying an A-B binary system, however, the Stillinger-Weber potential is associated with two major drawbacks. First, it significantly overestimates the elastic constants of elements A and B, limiting its use for systems involving both compounds and elements (e.g., an A/AB multilayer). Second, it prescribes equal energy for zinc-blende and wurtzite crystals, limiting its use for compounds with large stacking fault energies. Here in this paper, we utilize the polymorphic potential style recently implemented in LAMMPS to develop a modified Stillinger-Weber potential for InGaN that overcomes these two problems." 
            "author" "Zhou, Xiaowang W. and Jones, Reese E. and Chu, Kevin" 
            "doi" "10.1063/1.5001339" 
            "issn" "0021-8979" 
            "journal" "Journal of Applied Physics" 
            "month" "dec" 
            "number" "23" 
            "place" "United States" 
            "recordkey" "SM_887684855692_000a" 
            "recordprimary" "recordprimary" 
            "recordtype" "article" 
            "title" "Polymorphic improvement of Stillinger-Weber potential for {InGaN}" 
            "url" "https://www.osti.gov/biblio/1421617" 
            "volume" "122" 
            "year" "2017"
        }
    ] 
    "species" [
        "In" 
        "Ga" 
        "N"
    ] 
    "title" "LAMMPS Stillinger-Weber potential for the In-Ga-N system developed by Zhou, Jones and Chu (2017) and implemented using the polymorphic framework of Zhou et al. (2015) v000"
}