{"content-origin" "https://www.ctcms.nist.gov/potentials/entry/2008--Kim-E-H-Shin-Y-H-Lee-B-J--Ge/" "contributor-id" "4ad03136-ed7f-4316-b586-1e94ccceb311" "description" "This is a semi-empirical interatomic potential for germanium based on the modified embedded-atom method (MEAM) formalism. This potential describes various fundamental physical properties of germanium: elastic, structural, point defect, surface, thermal properties (except melting point), etc., in better agreement with experimental data or first principles calculations than any other empirical potential ever developed. When compared to the previously developed MEAM Ge potential [M.I. Baskes, J.S. Nelson, A.F. Wright, Phys. Rev. B 40 (1989) 6085], certain improvements are made in descriptions of surface relaxations, point defects, thermal expansion and amorphous structure. The potential has the same formalism as already developed MEAM potentials for bcc, fcc and hcp elements, and can be easily extended to describe various metal–silicon multi-component systems." "developer" ["59c86ecd-0878-4fa4-8449-2d8b317e347c" "2aa51cec-4c4c-438a-b04e-a918fe22f874" "c8ad0beb-f4c8-4ddc-8a25-372f5cc4a17e"] "doi" "10.25950/832df368" "domain" "openkim.org" "executables" [] "extended-id" "MEAM_LAMMPS_KimShinLee_2008_Ge__MO_657096500078_000" "funding" [{"award-number" "R01-2006-000-10585-0" "funder-identifier" "https://doi.org/10.13039/501100004084" "funder-identifier-type" "Crossref Funder ID" "funder-name" "Korea Science and Engineering Foundation" "scheme-uri" "http://doi.org/"}] "kim-api-version" "2.2" "maintainer-id" "4ad03136-ed7f-4316-b586-1e94ccceb311" "model-driver" "MEAM_LAMMPS__MD_249792265679_001" "potential-type" "meam" "publication-year" "2022" "source-citations" [{"abstract" "A semi-empirical interatomic potential for germanium has been developed based on the modified embedded-atom method (MEAM) formalism. The new potential describes various fundamental physical properties of germanium: elastic, structural, point defect, surface, thermal properties (except melting point), etc., in better agreement with experimental data or first principles calculations than any other empirical potential ever developed. When compared to the previously developed MEAM Ge potential [M.I. Baskes, J.S. Nelson, A.F. Wright, Phys. Rev. B 40 (1989) 6085], certain improvements are made in descriptions of surface relaxations, point defects, thermal expansion and amorphous structure. The potential has the same formalism as already developed MEAM potentials for bcc, fcc and hcp elements, and can be easily extended to describe various metal–silicon multi-component systems." "author" "Kim, Eun Ha and Shin, Young-Han and Lee, Byeong-Joo" "doi" "https://doi.org/10.1016/j.calphad.2007.12.003" "issn" "0364-5916" "journal" "Calphad" "keywords" "Semi-empirical interatomic potential, Modified embedded-atom method, Germanium" "number" "1" "pages" "34-42" "recordkey" "MO_657096500078_000a" "recordprimary" "recordprimary" "recordtype" "article" "title" "A modified embedded-atom method interatomic potential for Germanium" "url" "https://www.sciencedirect.com/science/article/pii/S036459160700096X" "volume" "32" "year" "2008"}] "species" ["Ge"] "title" "MEAM Potential for Ge developed by Kim, Shin and Lee (2008) v000"}