[{"citation":{"chicago":"Bihler, C., Uwe Gerstmann, M. Hoeb, T. Graf, M. Gjukic, Wolf Gero Schmidt, M. Stutzmann, and M. S. Brandt. “Manganese-Hydrogen Complexes InGa1−xMnxN.” <i>Physical Review B</i> 80, no. 20 (2010). <a href=\"https://doi.org/10.1103/physrevb.80.205205\">https://doi.org/10.1103/physrevb.80.205205</a>.","ama":"Bihler C, Gerstmann U, Hoeb M, et al. Manganese-hydrogen complexes inGa1−xMnxN. <i>Physical Review B</i>. 2010;80(20). doi:<a href=\"https://doi.org/10.1103/physrevb.80.205205\">10.1103/physrevb.80.205205</a>","short":"C. Bihler, U. Gerstmann, M. Hoeb, T. Graf, M. Gjukic, W.G. Schmidt, M. Stutzmann, M.S. Brandt, Physical Review B 80 (2010).","bibtex":"@article{Bihler_Gerstmann_Hoeb_Graf_Gjukic_Schmidt_Stutzmann_Brandt_2010, title={Manganese-hydrogen complexes inGa1−xMnxN}, volume={80}, DOI={<a href=\"https://doi.org/10.1103/physrevb.80.205205\">10.1103/physrevb.80.205205</a>}, number={20}, journal={Physical Review B}, author={Bihler, C. and Gerstmann, Uwe and Hoeb, M. and Graf, T. and Gjukic, M. and Schmidt, Wolf Gero and Stutzmann, M. and Brandt, M. S.}, year={2010} }","mla":"Bihler, C., et al. “Manganese-Hydrogen Complexes InGa1−xMnxN.” <i>Physical Review B</i>, vol. 80, no. 20, 2010, doi:<a href=\"https://doi.org/10.1103/physrevb.80.205205\">10.1103/physrevb.80.205205</a>.","apa":"Bihler, C., Gerstmann, U., Hoeb, M., Graf, T., Gjukic, M., Schmidt, W. G., Stutzmann, M., &#38; Brandt, M. S. (2010). Manganese-hydrogen complexes inGa1−xMnxN. <i>Physical Review B</i>, <i>80</i>(20). <a href=\"https://doi.org/10.1103/physrevb.80.205205\">https://doi.org/10.1103/physrevb.80.205205</a>","ieee":"C. Bihler <i>et al.</i>, “Manganese-hydrogen complexes inGa1−xMnxN,” <i>Physical Review B</i>, vol. 80, no. 20, 2010, doi: <a href=\"https://doi.org/10.1103/physrevb.80.205205\">10.1103/physrevb.80.205205</a>."},"issue":"20","publication":"Physical Review B","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"790"},{"_id":"35"},{"_id":"230"}],"type":"journal_article","date_created":"2019-10-09T09:00:28Z","intvolume":"        80","publication_status":"published","date_updated":"2025-12-05T13:14:00Z","publication_identifier":{"issn":["1098-0121","1550-235X"]},"author":[{"full_name":"Bihler, C.","last_name":"Bihler","first_name":"C."},{"last_name":"Gerstmann","orcid":"0000-0002-4476-223X","first_name":"Uwe","full_name":"Gerstmann, Uwe","id":"171"},{"last_name":"Hoeb","first_name":"M.","full_name":"Hoeb, M."},{"last_name":"Graf","first_name":"T.","full_name":"Graf, T."},{"first_name":"M.","last_name":"Gjukic","full_name":"Gjukic, M."},{"full_name":"Schmidt, Wolf Gero","orcid":"0000-0002-2717-5076","first_name":"Wolf Gero","last_name":"Schmidt","id":"468"},{"full_name":"Stutzmann, M.","first_name":"M.","last_name":"Stutzmann"},{"full_name":"Brandt, M. S.","last_name":"Brandt","first_name":"M. S."}],"year":"2010","status":"public","title":"Manganese-hydrogen complexes inGa1−xMnxN","volume":80,"user_id":"16199","doi":"10.1103/physrevb.80.205205","_id":"13656","language":[{"iso":"eng"}]},{"year":"2010","title":"Fine Structure of Triplet Centers in Room Temperature Irradiated 6H-SiC","status":"public","publication_identifier":{"issn":["1662-9752"]},"author":[{"full_name":"Scholle, Andreas","first_name":"Andreas","last_name":"Scholle"},{"first_name":"Siegmund","last_name":"Greulich-Weber","full_name":"Greulich-Weber, Siegmund"},{"first_name":"Eva","last_name":"Rauls","full_name":"Rauls, Eva"},{"id":"468","last_name":"Schmidt","orcid":"0000-0002-2717-5076","first_name":"Wolf Gero","full_name":"Schmidt, Wolf Gero"},{"id":"171","first_name":"Uwe","last_name":"Gerstmann","orcid":"0000-0002-4476-223X","full_name":"Gerstmann, Uwe"}],"publication_status":"published","date_updated":"2025-12-16T07:45:12Z","page":"403-406","_id":"13837","language":[{"iso":"eng"}],"user_id":"16199","doi":"10.4028/www.scientific.net/msf.645-648.403","volume":"645-648","publication":"Materials Science Forum","citation":{"ama":"Scholle A, Greulich-Weber S, Rauls E, Schmidt WG, Gerstmann U. Fine Structure of Triplet Centers in Room Temperature Irradiated 6H-SiC. <i>Materials Science Forum</i>. 2010;645-648:403-406. doi:<a href=\"https://doi.org/10.4028/www.scientific.net/msf.645-648.403\">10.4028/www.scientific.net/msf.645-648.403</a>","bibtex":"@article{Scholle_Greulich-Weber_Rauls_Schmidt_Gerstmann_2010, title={Fine Structure of Triplet Centers in Room Temperature Irradiated 6H-SiC}, volume={645–648}, DOI={<a href=\"https://doi.org/10.4028/www.scientific.net/msf.645-648.403\">10.4028/www.scientific.net/msf.645-648.403</a>}, journal={Materials Science Forum}, author={Scholle, Andreas and Greulich-Weber, Siegmund and Rauls, Eva and Schmidt, Wolf Gero and Gerstmann, Uwe}, year={2010}, pages={403–406} }","mla":"Scholle, Andreas, et al. “Fine Structure of Triplet Centers in Room Temperature Irradiated 6H-SiC.” <i>Materials Science Forum</i>, vol. 645–648, 2010, pp. 403–06, doi:<a href=\"https://doi.org/10.4028/www.scientific.net/msf.645-648.403\">10.4028/www.scientific.net/msf.645-648.403</a>.","short":"A. Scholle, S. Greulich-Weber, E. Rauls, W.G. Schmidt, U. Gerstmann, Materials Science Forum 645–648 (2010) 403–406.","chicago":"Scholle, Andreas, Siegmund Greulich-Weber, Eva Rauls, Wolf Gero Schmidt, and Uwe Gerstmann. “Fine Structure of Triplet Centers in Room Temperature Irradiated 6H-SiC.” <i>Materials Science Forum</i> 645–648 (2010): 403–6. <a href=\"https://doi.org/10.4028/www.scientific.net/msf.645-648.403\">https://doi.org/10.4028/www.scientific.net/msf.645-648.403</a>.","apa":"Scholle, A., Greulich-Weber, S., Rauls, E., Schmidt, W. G., &#38; Gerstmann, U. (2010). Fine Structure of Triplet Centers in Room Temperature Irradiated 6H-SiC. <i>Materials Science Forum</i>, <i>645–648</i>, 403–406. <a href=\"https://doi.org/10.4028/www.scientific.net/msf.645-648.403\">https://doi.org/10.4028/www.scientific.net/msf.645-648.403</a>","ieee":"A. Scholle, S. Greulich-Weber, E. Rauls, W. G. Schmidt, and U. Gerstmann, “Fine Structure of Triplet Centers in Room Temperature Irradiated 6H-SiC,” <i>Materials Science Forum</i>, vol. 645–648, pp. 403–406, 2010, doi: <a href=\"https://doi.org/10.4028/www.scientific.net/msf.645-648.403\">10.4028/www.scientific.net/msf.645-648.403</a>."},"abstract":[{"text":"<jats:p>In non-annealed 6H-SiC samples that were electron irradiated at room temperature, a new EPR signal due to a S=1 defect center with exceptionally large zero-field splitting (D = +652•10-4 cm-1) has been observed under illumination. A positive sign of D demonstrates that the spin-orbit contribution to the zero-field splitting exceeds by far that of the spin-spin interaction. A principal axis of the fine structure tilted by 59° against the crystal c-axis as well as the exceptionally high zero-field splitting D can be qualitatively understood by the occurrence of additional close-lying defect levels in defect clusters resulting in comparatively large second-order spin-orbit coup¬ling. A tentative assignment to vacancy clusters is supported by the observed annealing behavior.  </jats:p>","lang":"eng"}],"date_created":"2019-10-15T07:44:38Z","type":"journal_article","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"790"},{"_id":"35"},{"_id":"230"}]},{"citation":{"mla":"Scholle, A., et al. “Magnetic Characterization of Conductance Electrons in GaN.” <i>Physica Status Solidi (b)</i>, vol. 247, no. 7, 2010, pp. 1728–31, doi:<a href=\"https://doi.org/10.1002/pssb.200983582\">10.1002/pssb.200983582</a>.","bibtex":"@article{Scholle_Greulich-Weber_As_Mietze_Son_Hemmingsson_Monemar_Janzén_Gerstmann_Sanna_et al._2010, title={Magnetic characterization of conductance electrons in GaN}, volume={247}, DOI={<a href=\"https://doi.org/10.1002/pssb.200983582\">10.1002/pssb.200983582</a>}, number={7}, journal={physica status solidi (b)}, author={Scholle, A. and Greulich-Weber, S. and As, Donat Josef and Mietze, Ch. and Son, N. T. and Hemmingsson, C. and Monemar, B. and Janzén, E. and Gerstmann, Uwe and Sanna, S. and et al.}, year={2010}, pages={1728–1731} }","ama":"Scholle A, Greulich-Weber S, As DJ, et al. Magnetic characterization of conductance electrons in GaN. <i>physica status solidi (b)</i>. 2010;247(7):1728-1731. doi:<a href=\"https://doi.org/10.1002/pssb.200983582\">10.1002/pssb.200983582</a>","ieee":"A. Scholle <i>et al.</i>, “Magnetic characterization of conductance electrons in GaN,” <i>physica status solidi (b)</i>, vol. 247, no. 7, pp. 1728–1731, 2010, doi: <a href=\"https://doi.org/10.1002/pssb.200983582\">10.1002/pssb.200983582</a>.","apa":"Scholle, A., Greulich-Weber, S., As, D. J., Mietze, Ch., Son, N. T., Hemmingsson, C., Monemar, B., Janzén, E., Gerstmann, U., Sanna, S., Rauls, E., &#38; Schmidt, W. G. (2010). Magnetic characterization of conductance electrons in GaN. <i>Physica Status Solidi (b)</i>, <i>247</i>(7), 1728–1731. <a href=\"https://doi.org/10.1002/pssb.200983582\">https://doi.org/10.1002/pssb.200983582</a>","chicago":"Scholle, A., S. Greulich-Weber, Donat Josef As, Ch. Mietze, N. T. Son, C. Hemmingsson, B. Monemar, et al. “Magnetic Characterization of Conductance Electrons in GaN.” <i>Physica Status Solidi (b)</i> 247, no. 7 (2010): 1728–31. <a href=\"https://doi.org/10.1002/pssb.200983582\">https://doi.org/10.1002/pssb.200983582</a>.","short":"A. Scholle, S. Greulich-Weber, D.J. As, Ch. Mietze, N.T. Son, C. Hemmingsson, B. Monemar, E. Janzén, U. Gerstmann, S. Sanna, E. Rauls, W.G. Schmidt, Physica Status Solidi (b) 247 (2010) 1728–1731."},"status":"public","user_id":"16199","volume":247,"page":"1728-1731","_id":"13835","funded_apc":"1","issue":"7","publication":"physica status solidi (b)","type":"journal_article","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"284"},{"_id":"790"},{"_id":"35"},{"_id":"230"}],"date_created":"2019-10-15T07:40:58Z","publication_status":"published","date_updated":"2025-12-16T07:46:59Z","intvolume":"       247","title":"Magnetic characterization of conductance electrons in GaN","year":"2010","publication_identifier":{"issn":["0370-1972","1521-3951"]},"author":[{"full_name":"Scholle, A.","last_name":"Scholle","first_name":"A."},{"full_name":"Greulich-Weber, S.","first_name":"S.","last_name":"Greulich-Weber"},{"id":"14","full_name":"As, Donat Josef","first_name":"Donat Josef","last_name":"As","orcid":"0000-0003-1121-3565"},{"first_name":"Ch.","last_name":"Mietze","full_name":"Mietze, Ch."},{"full_name":"Son, N. T.","last_name":"Son","first_name":"N. T."},{"first_name":"C.","last_name":"Hemmingsson","full_name":"Hemmingsson, C."},{"full_name":"Monemar, B.","first_name":"B.","last_name":"Monemar"},{"full_name":"Janzén, E.","last_name":"Janzén","first_name":"E."},{"full_name":"Gerstmann, Uwe","orcid":"0000-0002-4476-223X","last_name":"Gerstmann","first_name":"Uwe","id":"171"},{"full_name":"Sanna, S.","last_name":"Sanna","first_name":"S."},{"full_name":"Rauls, E.","first_name":"E.","last_name":"Rauls"},{"id":"468","first_name":"Wolf Gero","orcid":"0000-0002-2717-5076","last_name":"Schmidt","full_name":"Schmidt, Wolf Gero"}],"doi":"10.1002/pssb.200983582","language":[{"iso":"eng"}]},{"intvolume":"       404","publication_status":"published","date_updated":"2025-12-05T10:52:14Z","publication_identifier":{"issn":["0921-4526"]},"author":[{"first_name":"A.","last_name":"Scholle","full_name":"Scholle, A."},{"first_name":"S.","last_name":"Greulich-Weber","full_name":"Greulich-Weber, S."},{"last_name":"Rauls","first_name":"E.","full_name":"Rauls, E."},{"first_name":"Wolf Gero","last_name":"Schmidt","orcid":"0000-0002-2717-5076","full_name":"Schmidt, Wolf Gero","id":"468"},{"full_name":"Gerstmann, Uwe","last_name":"Gerstmann","orcid":"0000-0002-4476-223X","first_name":"Uwe","id":"171"}],"status":"public","year":"2009","title":"Vacancy clusters created via room temperature irradiation in 6H-SiC","volume":404,"user_id":"16199","doi":"10.1016/j.physb.2009.08.123","_id":"13583","language":[{"iso":"eng"}],"page":"4742-4744","project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"citation":{"chicago":"Scholle, A., S. Greulich-Weber, E. Rauls, Wolf Gero Schmidt, and Uwe Gerstmann. “Vacancy Clusters Created via Room Temperature Irradiation in 6H-SiC.” <i>Physica B: Condensed Matter</i> 404 (2009): 4742–44. <a href=\"https://doi.org/10.1016/j.physb.2009.08.123\">https://doi.org/10.1016/j.physb.2009.08.123</a>.","short":"A. Scholle, S. Greulich-Weber, E. Rauls, W.G. Schmidt, U. Gerstmann, Physica B: Condensed Matter 404 (2009) 4742–4744.","ieee":"A. Scholle, S. Greulich-Weber, E. Rauls, W. G. Schmidt, and U. Gerstmann, “Vacancy clusters created via room temperature irradiation in 6H-SiC,” <i>Physica B: Condensed Matter</i>, vol. 404, pp. 4742–4744, 2009, doi: <a href=\"https://doi.org/10.1016/j.physb.2009.08.123\">10.1016/j.physb.2009.08.123</a>.","apa":"Scholle, A., Greulich-Weber, S., Rauls, E., Schmidt, W. G., &#38; Gerstmann, U. (2009). Vacancy clusters created via room temperature irradiation in 6H-SiC. <i>Physica B: Condensed Matter</i>, <i>404</i>, 4742–4744. <a href=\"https://doi.org/10.1016/j.physb.2009.08.123\">https://doi.org/10.1016/j.physb.2009.08.123</a>","bibtex":"@article{Scholle_Greulich-Weber_Rauls_Schmidt_Gerstmann_2009, title={Vacancy clusters created via room temperature irradiation in 6H-SiC}, volume={404}, DOI={<a href=\"https://doi.org/10.1016/j.physb.2009.08.123\">10.1016/j.physb.2009.08.123</a>}, journal={Physica B: Condensed Matter}, author={Scholle, A. and Greulich-Weber, S. and Rauls, E. and Schmidt, Wolf Gero and Gerstmann, Uwe}, year={2009}, pages={4742–4744} }","ama":"Scholle A, Greulich-Weber S, Rauls E, Schmidt WG, Gerstmann U. Vacancy clusters created via room temperature irradiation in 6H-SiC. <i>Physica B: Condensed Matter</i>. 2009;404:4742-4744. doi:<a href=\"https://doi.org/10.1016/j.physb.2009.08.123\">10.1016/j.physb.2009.08.123</a>","mla":"Scholle, A., et al. “Vacancy Clusters Created via Room Temperature Irradiation in 6H-SiC.” <i>Physica B: Condensed Matter</i>, vol. 404, 2009, pp. 4742–44, doi:<a href=\"https://doi.org/10.1016/j.physb.2009.08.123\">10.1016/j.physb.2009.08.123</a>."},"publication":"Physica B: Condensed Matter","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"790"},{"_id":"35"},{"_id":"27"},{"_id":"230"}],"type":"journal_article","date_created":"2019-10-01T14:39:39Z"},{"publication_status":"published","date_updated":"2025-12-05T13:13:04Z","intvolume":"        80","year":"2009","status":"public","title":"Rare-earth defect pairs in GaN: LDA+U calculations","publication_identifier":{"issn":["1098-0121","1550-235X"]},"author":[{"full_name":"Sanna, Simone","first_name":"Simone","last_name":"Sanna"},{"id":"468","full_name":"Schmidt, Wolf Gero","first_name":"Wolf Gero","last_name":"Schmidt","orcid":"0000-0002-2717-5076"},{"last_name":"Frauenheim","first_name":"Th.","full_name":"Frauenheim, Th."},{"id":"171","full_name":"Gerstmann, Uwe","first_name":"Uwe","orcid":"0000-0002-4476-223X","last_name":"Gerstmann"}],"user_id":"16199","doi":"10.1103/physrevb.80.104120","volume":80,"_id":"13657","language":[{"iso":"eng"}],"project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"issue":"10","publication":"Physical Review B","citation":{"ama":"Sanna S, Schmidt WG, Frauenheim Th, Gerstmann U. Rare-earth defect pairs in GaN: LDA+U calculations. <i>Physical Review B</i>. 2009;80(10). doi:<a href=\"https://doi.org/10.1103/physrevb.80.104120\">10.1103/physrevb.80.104120</a>","bibtex":"@article{Sanna_Schmidt_Frauenheim_Gerstmann_2009, title={Rare-earth defect pairs in GaN: LDA+U calculations}, volume={80}, DOI={<a href=\"https://doi.org/10.1103/physrevb.80.104120\">10.1103/physrevb.80.104120</a>}, number={10}, journal={Physical Review B}, author={Sanna, Simone and Schmidt, Wolf Gero and Frauenheim, Th. and Gerstmann, Uwe}, year={2009} }","mla":"Sanna, Simone, et al. “Rare-Earth Defect Pairs in GaN: LDA+U Calculations.” <i>Physical Review B</i>, vol. 80, no. 10, 2009, doi:<a href=\"https://doi.org/10.1103/physrevb.80.104120\">10.1103/physrevb.80.104120</a>.","chicago":"Sanna, Simone, Wolf Gero Schmidt, Th. Frauenheim, and Uwe Gerstmann. “Rare-Earth Defect Pairs in GaN: LDA+U Calculations.” <i>Physical Review B</i> 80, no. 10 (2009). <a href=\"https://doi.org/10.1103/physrevb.80.104120\">https://doi.org/10.1103/physrevb.80.104120</a>.","short":"S. Sanna, W.G. Schmidt, Th. Frauenheim, U. Gerstmann, Physical Review B 80 (2009).","apa":"Sanna, S., Schmidt, W. G., Frauenheim, Th., &#38; Gerstmann, U. (2009). Rare-earth defect pairs in GaN: LDA+U calculations. <i>Physical Review B</i>, <i>80</i>(10). <a href=\"https://doi.org/10.1103/physrevb.80.104120\">https://doi.org/10.1103/physrevb.80.104120</a>","ieee":"S. Sanna, W. G. Schmidt, Th. Frauenheim, and U. Gerstmann, “Rare-earth defect pairs in GaN: LDA+U calculations,” <i>Physical Review B</i>, vol. 80, no. 10, 2009, doi: <a href=\"https://doi.org/10.1103/physrevb.80.104120\">10.1103/physrevb.80.104120</a>."},"type":"journal_article","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"790"},{"_id":"35"},{"_id":"230"},{"_id":"27"}],"date_created":"2019-10-09T09:02:12Z"},{"intvolume":"        21","publication_status":"published","date_updated":"2025-12-16T07:42:40Z","author":[{"first_name":"Paolo","last_name":"Giannozzi","full_name":"Giannozzi, Paolo"},{"full_name":"Baroni, Stefano","last_name":"Baroni","first_name":"Stefano"},{"full_name":"Bonini, Nicola","last_name":"Bonini","first_name":"Nicola"},{"full_name":"Calandra, Matteo","first_name":"Matteo","last_name":"Calandra"},{"full_name":"Car, Roberto","first_name":"Roberto","last_name":"Car"},{"last_name":"Cavazzoni","first_name":"Carlo","full_name":"Cavazzoni, Carlo"},{"full_name":"Ceresoli, Davide","last_name":"Ceresoli","first_name":"Davide"},{"full_name":"Chiarotti, Guido L","first_name":"Guido L","last_name":"Chiarotti"},{"full_name":"Cococcioni, Matteo","first_name":"Matteo","last_name":"Cococcioni"},{"last_name":"Dabo","first_name":"Ismaila","full_name":"Dabo, Ismaila"},{"first_name":"Andrea","last_name":"Dal Corso","full_name":"Dal Corso, Andrea"},{"first_name":"Stefano","last_name":"de Gironcoli","full_name":"de Gironcoli, Stefano"},{"full_name":"Fabris, Stefano","first_name":"Stefano","last_name":"Fabris"},{"full_name":"Fratesi, Guido","first_name":"Guido","last_name":"Fratesi"},{"first_name":"Ralph","last_name":"Gebauer","full_name":"Gebauer, Ralph"},{"last_name":"Gerstmann","first_name":"Uwe","orcid":"0000-0002-4476-223X","full_name":"Gerstmann, Uwe","id":"171"},{"full_name":"Gougoussis, Christos","last_name":"Gougoussis","first_name":"Christos"},{"first_name":"Anton","last_name":"Kokalj","full_name":"Kokalj, Anton"},{"full_name":"Lazzeri, Michele","last_name":"Lazzeri","first_name":"Michele"},{"full_name":"Martin-Samos, Layla","first_name":"Layla","last_name":"Martin-Samos"},{"last_name":"Marzari","first_name":"Nicola","full_name":"Marzari, Nicola"},{"full_name":"Mauri, Francesco","last_name":"Mauri","first_name":"Francesco"},{"first_name":"Riccardo","last_name":"Mazzarello","full_name":"Mazzarello, Riccardo"},{"first_name":"Stefano","last_name":"Paolini","full_name":"Paolini, Stefano"},{"full_name":"Pasquarello, Alfredo","first_name":"Alfredo","last_name":"Pasquarello"},{"first_name":"Lorenzo","last_name":"Paulatto","full_name":"Paulatto, Lorenzo"},{"full_name":"Sbraccia, Carlo","first_name":"Carlo","last_name":"Sbraccia"},{"last_name":"Scandolo","first_name":"Sandro","full_name":"Scandolo, Sandro"},{"full_name":"Sclauzero, Gabriele","first_name":"Gabriele","last_name":"Sclauzero"},{"full_name":"Seitsonen, Ari P","first_name":"Ari P","last_name":"Seitsonen"},{"first_name":"Alexander","last_name":"Smogunov","full_name":"Smogunov, Alexander"},{"full_name":"Umari, Paolo","first_name":"Paolo","last_name":"Umari"},{"full_name":"Wentzcovitch, Renata M","first_name":"Renata M","last_name":"Wentzcovitch"}],"publication_identifier":{"issn":["0953-8984","1361-648X"]},"year":"2009","title":"QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials","doi":"10.1088/0953-8984/21/39/395502","language":[{"iso":"eng"}],"article_number":"395502","publication":"Journal of Physics: Condensed Matter","issue":"39","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"790"},{"_id":"35"},{"_id":"27"}],"type":"journal_article","date_created":"2019-10-11T10:42:39Z","status":"public","volume":21,"user_id":"16199","_id":"13802","funded_apc":"1","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"citation":{"apa":"Giannozzi, P., Baroni, S., Bonini, N., Calandra, M., Car, R., Cavazzoni, C., Ceresoli, D., Chiarotti, G. L., Cococcioni, M., Dabo, I., Dal Corso, A., de Gironcoli, S., Fabris, S., Fratesi, G., Gebauer, R., Gerstmann, U., Gougoussis, C., Kokalj, A., Lazzeri, M., … Wentzcovitch, R. M. (2009). QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials. <i>Journal of Physics: Condensed Matter</i>, <i>21</i>(39), Article 395502. <a href=\"https://doi.org/10.1088/0953-8984/21/39/395502\">https://doi.org/10.1088/0953-8984/21/39/395502</a>","ieee":"P. Giannozzi <i>et al.</i>, “QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials,” <i>Journal of Physics: Condensed Matter</i>, vol. 21, no. 39, Art. no. 395502, 2009, doi: <a href=\"https://doi.org/10.1088/0953-8984/21/39/395502\">10.1088/0953-8984/21/39/395502</a>.","short":"P. Giannozzi, S. Baroni, N. Bonini, M. Calandra, R. Car, C. Cavazzoni, D. Ceresoli, G.L. Chiarotti, M. Cococcioni, I. Dabo, A. Dal Corso, S. de Gironcoli, S. Fabris, G. Fratesi, R. Gebauer, U. Gerstmann, C. Gougoussis, A. Kokalj, M. Lazzeri, L. Martin-Samos, N. Marzari, F. Mauri, R. Mazzarello, S. Paolini, A. Pasquarello, L. Paulatto, C. Sbraccia, S. Scandolo, G. Sclauzero, A.P. Seitsonen, A. Smogunov, P. Umari, R.M. Wentzcovitch, Journal of Physics: Condensed Matter 21 (2009).","chicago":"Giannozzi, Paolo, Stefano Baroni, Nicola Bonini, Matteo Calandra, Roberto Car, Carlo Cavazzoni, Davide Ceresoli, et al. “QUANTUM ESPRESSO: A Modular and Open-Source Software Project for Quantum Simulations of Materials.” <i>Journal of Physics: Condensed Matter</i> 21, no. 39 (2009). <a href=\"https://doi.org/10.1088/0953-8984/21/39/395502\">https://doi.org/10.1088/0953-8984/21/39/395502</a>.","mla":"Giannozzi, Paolo, et al. “QUANTUM ESPRESSO: A Modular and Open-Source Software Project for Quantum Simulations of Materials.” <i>Journal of Physics: Condensed Matter</i>, vol. 21, no. 39, 395502, 2009, doi:<a href=\"https://doi.org/10.1088/0953-8984/21/39/395502\">10.1088/0953-8984/21/39/395502</a>.","ama":"Giannozzi P, Baroni S, Bonini N, et al. QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials. <i>Journal of Physics: Condensed Matter</i>. 2009;21(39). doi:<a href=\"https://doi.org/10.1088/0953-8984/21/39/395502\">10.1088/0953-8984/21/39/395502</a>","bibtex":"@article{Giannozzi_Baroni_Bonini_Calandra_Car_Cavazzoni_Ceresoli_Chiarotti_Cococcioni_Dabo_et al._2009, title={QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials}, volume={21}, DOI={<a href=\"https://doi.org/10.1088/0953-8984/21/39/395502\">10.1088/0953-8984/21/39/395502</a>}, number={39395502}, journal={Journal of Physics: Condensed Matter}, author={Giannozzi, Paolo and Baroni, Stefano and Bonini, Nicola and Calandra, Matteo and Car, Roberto and Cavazzoni, Carlo and Ceresoli, Davide and Chiarotti, Guido L and Cococcioni, Matteo and Dabo, Ismaila and et al.}, year={2009} }"}},{"user_id":"16199","doi":"10.4028/www.scientific.net/msf.615-617.343","volume":"615-617","page":"343-346","language":[{"iso":"eng"}],"_id":"13844","funded_apc":"1","publication_status":"published","date_updated":"2025-12-16T07:42:04Z","year":"2009","status":"public","title":"Spin-Coupling in Heavily Nitrogen-Doped 4H-SiC","author":[{"full_name":"Savchenko, D.V.","first_name":"D.V.","last_name":"Savchenko"},{"full_name":"Pöppl, Andreas","last_name":"Pöppl","first_name":"Andreas"},{"full_name":"Kalabukhova, Ekaterina N.","last_name":"Kalabukhova","first_name":"Ekaterina N."},{"full_name":"Greulich-Weber, Siegmund","first_name":"Siegmund","last_name":"Greulich-Weber"},{"full_name":"Rauls, Eva","last_name":"Rauls","first_name":"Eva"},{"orcid":"0000-0002-2717-5076","first_name":"Wolf Gero","last_name":"Schmidt","full_name":"Schmidt, Wolf Gero","id":"468"},{"full_name":"Gerstmann, Uwe","last_name":"Gerstmann","first_name":"Uwe","orcid":"0000-0002-4476-223X","id":"171"}],"publication_identifier":{"issn":["1662-9752"]},"type":"journal_article","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"790"},{"_id":"35"},{"_id":"230"}],"date_created":"2019-10-15T07:58:04Z","abstract":[{"lang":"eng","text":"<jats:p>EPR and ESE in nitrogen doped 4H- and 6H-SiC show besides the well known triplet lines of 14N on quasi-cubic (Nc,k) and hexagonal (Nc,h) sites additional lines (Nx) of comparatively low intensity providing half the hf splitting of Nc,k. Frequently re-interpreted as spin-forbid¬den lines, arising from Nc,k pairs and triads or resulting from hopping conductivity, only re¬cent¬ly the theoretical calculation of the corresponding g-tensors lead to a tentative model of distant NC donor pairs on inequivalent lattice sites which are coupled to S = 1 assuming a fine-struc¬ture splitting too small to be observed in the EPR and ESE experiments. In this work, we pre¬sent ESE nutation measurements confirming S = 1 for the Nx center. Analysing the nutation frequencies in comparison with that of the Nc,k (S = 1/2) spectrum as well as the line width of ESE and EPR spectra we obtain a rough estimate between 5104 cm-1 and 50104 cm-1 for the fine-structure splitting demonstrating efficient spin-coupling between nitrogen donors in 4H-SiC.</jats:p>"}],"publication":"Materials Science Forum","citation":{"mla":"Savchenko, D. V., et al. “Spin-Coupling in Heavily Nitrogen-Doped 4H-SiC.” <i>Materials Science Forum</i>, vol. 615–617, 2009, pp. 343–46, doi:<a href=\"https://doi.org/10.4028/www.scientific.net/msf.615-617.343\">10.4028/www.scientific.net/msf.615-617.343</a>.","bibtex":"@article{Savchenko_Pöppl_Kalabukhova_Greulich-Weber_Rauls_Schmidt_Gerstmann_2009, title={Spin-Coupling in Heavily Nitrogen-Doped 4H-SiC}, volume={615–617}, DOI={<a href=\"https://doi.org/10.4028/www.scientific.net/msf.615-617.343\">10.4028/www.scientific.net/msf.615-617.343</a>}, journal={Materials Science Forum}, author={Savchenko, D.V. and Pöppl, Andreas and Kalabukhova, Ekaterina N. and Greulich-Weber, Siegmund and Rauls, Eva and Schmidt, Wolf Gero and Gerstmann, Uwe}, year={2009}, pages={343–346} }","ama":"Savchenko DV, Pöppl A, Kalabukhova EN, et al. Spin-Coupling in Heavily Nitrogen-Doped 4H-SiC. <i>Materials Science Forum</i>. 2009;615-617:343-346. doi:<a href=\"https://doi.org/10.4028/www.scientific.net/msf.615-617.343\">10.4028/www.scientific.net/msf.615-617.343</a>","ieee":"D. V. Savchenko <i>et al.</i>, “Spin-Coupling in Heavily Nitrogen-Doped 4H-SiC,” <i>Materials Science Forum</i>, vol. 615–617, pp. 343–346, 2009, doi: <a href=\"https://doi.org/10.4028/www.scientific.net/msf.615-617.343\">10.4028/www.scientific.net/msf.615-617.343</a>.","apa":"Savchenko, D. V., Pöppl, A., Kalabukhova, E. N., Greulich-Weber, S., Rauls, E., Schmidt, W. G., &#38; Gerstmann, U. (2009). Spin-Coupling in Heavily Nitrogen-Doped 4H-SiC. <i>Materials Science Forum</i>, <i>615–617</i>, 343–346. <a href=\"https://doi.org/10.4028/www.scientific.net/msf.615-617.343\">https://doi.org/10.4028/www.scientific.net/msf.615-617.343</a>","short":"D.V. Savchenko, A. Pöppl, E.N. Kalabukhova, S. Greulich-Weber, E. Rauls, W.G. Schmidt, U. Gerstmann, Materials Science Forum 615–617 (2009) 343–346.","chicago":"Savchenko, D.V., Andreas Pöppl, Ekaterina N. Kalabukhova, Siegmund Greulich-Weber, Eva Rauls, Wolf Gero Schmidt, and Uwe Gerstmann. “Spin-Coupling in Heavily Nitrogen-Doped 4H-SiC.” <i>Materials Science Forum</i> 615–617 (2009): 343–46. <a href=\"https://doi.org/10.4028/www.scientific.net/msf.615-617.343\">https://doi.org/10.4028/www.scientific.net/msf.615-617.343</a>."}}]
