[{"volume":82,"status":"public","has_accepted_license":"1","date_created":"2018-08-28T12:30:15Z","author":[{"first_name":"F.","last_name":"Zirkelbach"},{"first_name":"B.","last_name":"Stritzker"},{"last_name":"Nordlund","first_name":"K."},{"first_name":"Jörg","last_name":"Lindner","id":"20797"},{"last_name":"Schmidt","first_name":"W. G."},{"first_name":"E.","last_name":"Rauls"}],"file_date_updated":"2018-08-28T12:31:01Z","publication":"Physical Review B","file":[{"access_level":"closed","file_name":"Defects in Carbon implanted Silicon calculated by classical potentials and first principles methods.pdf","date_created":"2018-08-28T12:31:01Z","content_type":"application/pdf","date_updated":"2018-08-28T12:31:01Z","relation":"main_file","success":1,"file_size":238023,"creator":"hclaudia","file_id":"4205"}],"ddc":[],"user_id":"55706","article_type":"original","abstract":[{"lang":"eng"}],"citation":{"bibtex":"@article{Zirkelbach_Stritzker_Nordlund_Lindner_Schmidt_Rauls_2010, title={Defects in carbon implanted silicon calculated by classical potentials and first-principles methods}, volume={82}, DOI={10.1103/physrevb.82.094110}, number={9094110}, journal={Physical Review B}, publisher={American Physical Society (APS)}, author={Zirkelbach, F. and Stritzker, B. and Nordlund, K. and Lindner, Jörg and Schmidt, W. G. and Rauls, E.}, year={2010} }","mla":"Zirkelbach, F., et al. “Defects in Carbon Implanted Silicon Calculated by Classical Potentials and First-Principles Methods.” Physical Review B, vol. 82, no. 9, 094110, American Physical Society (APS), 2010, doi:10.1103/physrevb.82.094110.","chicago":"Zirkelbach, F., B. Stritzker, K. Nordlund, Jörg Lindner, W. G. Schmidt, and E. Rauls. “Defects in Carbon Implanted Silicon Calculated by Classical Potentials and First-Principles Methods.” Physical Review B 82, no. 9 (2010). https://doi.org/10.1103/physrevb.82.094110.","apa":"Zirkelbach, F., Stritzker, B., Nordlund, K., Lindner, J., Schmidt, W. G., & Rauls, E. (2010). Defects in carbon implanted silicon calculated by classical potentials and first-principles methods. Physical Review B, 82(9). https://doi.org/10.1103/physrevb.82.094110","ieee":"F. Zirkelbach, B. Stritzker, K. Nordlund, J. Lindner, W. G. Schmidt, and E. Rauls, “Defects in carbon implanted silicon calculated by classical potentials and first-principles methods,” Physical Review B, vol. 82, no. 9, 2010.","short":"F. Zirkelbach, B. Stritzker, K. Nordlund, J. Lindner, W.G. Schmidt, E. Rauls, Physical Review B 82 (2010)."},"type":"journal_article","uri_base":"https://ris.uni-paderborn.de","article_number":"094110","issue":"9","intvolume":" 82","_id":"4204","dini_type":"doc-type:article","publication_status":"published","publication_identifier":{"issn":[]},"department":[{"tree":[{"_id":"35"},{"_id":"44"},{"_id":"43"}],"_id":"15"},{"_id":"286","tree":[{"_id":"169"},{"_id":"15"},{"_id":"35"},{"_id":"44"},{"_id":"43"}]}],"dc":{"subject":["ddc:530"],"rights":["info:eu-repo/semantics/closedAccess"],"type":["info:eu-repo/semantics/article","doc-type:article","text","http://purl.org/coar/resource_type/c_6501"],"language":["eng"],"relation":["info:eu-repo/semantics/altIdentifier/doi/10.1103/physrevb.82.094110","info:eu-repo/semantics/altIdentifier/issn/1098-0121","info:eu-repo/semantics/altIdentifier/issn/1550-235X"],"description":["A comparative theoretical investigation of carbon interstitials in silicon is presented. Calculations using\r\nclassical potentials are compared to first-principles density-functional theory calculations of the geometries,\r\nformation, and activation energies of the carbon dumbbell interstitial, showing the importance of a quantummechanical\r\ndescription of this system. In contrast to previous studies, the present first-principles calculations of\r\nthe interstitial carbon migration path yield an activation energy that excellently matches the experiment. The\r\nbond-centered interstitial configuration shows a net magnetization of two electrons, illustrating the need for\r\nspin-polarized calculations."],"source":["Zirkelbach F, Stritzker B, Nordlund K, Lindner J, Schmidt WG, Rauls E. Defects in carbon implanted silicon calculated by classical potentials and first-principles methods. Physical Review B. 2010;82(9). doi:10.1103/physrevb.82.094110"],"creator":["Zirkelbach, F.","Stritzker, B.","Nordlund, K.","Lindner, Jörg","Schmidt, W. G.","Rauls, E."],"publisher":["American Physical Society (APS)"],"date":["2010"],"identifier":["https://ris.uni-paderborn.de/record/4204"],"title":["Defects in carbon implanted silicon calculated by classical potentials and first-principles methods"]},"language":[{}],"creator":{"login":"hclaudia","id":"55706"},"date_updated":"2022-01-06T07:00:35Z"}]