{"file":[{"file_name":"Defects in Carbon implanted Silicon calculated by classical potentials and first principles methods.pdf","success":1,"creator":"hclaudia","relation":"main_file","file_id":"4205","access_level":"closed","date_updated":"2018-08-28T12:31:01Z","content_type":"application/pdf","file_size":238023,"date_created":"2018-08-28T12:31:01Z"}],"issue":"9","type":"journal_article","_id":"4204","date_updated":"2022-01-06T07:00:35Z","file_date_updated":"2018-08-28T12:31:01Z","publisher":"American Physical Society (APS)","publication_identifier":{"issn":["1098-0121","1550-235X"]},"abstract":[{"lang":"eng","text":"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."}],"article_type":"original","date_created":"2018-08-28T12:30:15Z","ddc":["530"],"status":"public","intvolume":"        82","author":[{"first_name":"F.","last_name":"Zirkelbach","full_name":"Zirkelbach, F."},{"first_name":"B.","last_name":"Stritzker","full_name":"Stritzker, B."},{"full_name":"Nordlund, K.","last_name":"Nordlund","first_name":"K."},{"full_name":"Lindner, Jörg","id":"20797","first_name":"Jörg","last_name":"Lindner"},{"full_name":"Schmidt, W. G.","last_name":"Schmidt","first_name":"W. G."},{"first_name":"E.","last_name":"Rauls","full_name":"Rauls, E."}],"volume":82,"title":"Defects in carbon implanted silicon calculated by classical potentials and first-principles methods","has_accepted_license":"1","publication":"Physical Review B","doi":"10.1103/physrevb.82.094110","year":"2010","article_number":"094110","user_id":"55706","language":[{"iso":"eng"}],"publication_status":"published","department":[{"_id":"15"},{"_id":"286"}],"citation":{"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,” <i>Physical Review B</i>, vol. 82, no. 9, 2010.","ama":"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. <i>Physical Review B</i>. 2010;82(9). doi:<a href=\"https://doi.org/10.1103/physrevb.82.094110\">10.1103/physrevb.82.094110</a>","mla":"Zirkelbach, F., et al. “Defects in Carbon Implanted Silicon Calculated by Classical Potentials and First-Principles Methods.” <i>Physical Review B</i>, vol. 82, no. 9, 094110, American Physical Society (APS), 2010, doi:<a href=\"https://doi.org/10.1103/physrevb.82.094110\">10.1103/physrevb.82.094110</a>.","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={<a href=\"https://doi.org/10.1103/physrevb.82.094110\">10.1103/physrevb.82.094110</a>}, 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} }","short":"F. Zirkelbach, B. Stritzker, K. Nordlund, J. Lindner, W.G. Schmidt, E. Rauls, Physical Review B 82 (2010).","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.” <i>Physical Review B</i> 82, no. 9 (2010). <a href=\"https://doi.org/10.1103/physrevb.82.094110\">https://doi.org/10.1103/physrevb.82.094110</a>.","apa":"Zirkelbach, F., Stritzker, B., Nordlund, K., Lindner, J., Schmidt, W. G., &#38; Rauls, E. (2010). Defects in carbon implanted silicon calculated by classical potentials and first-principles methods. <i>Physical Review B</i>, <i>82</i>(9). <a href=\"https://doi.org/10.1103/physrevb.82.094110\">https://doi.org/10.1103/physrevb.82.094110</a>"}}