[{"date_updated":"2025-12-05T10:46:56Z","publication_status":"published","intvolume":"        86","status":"public","year":"2012","title":"Atomic-resolution imaging of the polar (0001¯) surface of LiNbO3in aqueous solution by frequency modulation atomic force microscopy","author":[{"first_name":"S.","last_name":"Rode","full_name":"Rode, S."},{"full_name":"Hölscher, R.","first_name":"R.","last_name":"Hölscher"},{"full_name":"Sanna, S.","first_name":"S.","last_name":"Sanna"},{"first_name":"S.","last_name":"Klassen","full_name":"Klassen, S."},{"full_name":"Kobayashi, K.","last_name":"Kobayashi","first_name":"K."},{"full_name":"Yamada, H.","first_name":"H.","last_name":"Yamada"},{"id":"468","orcid":"0000-0002-2717-5076","first_name":"Wolf Gero","last_name":"Schmidt","full_name":"Schmidt, Wolf Gero"},{"first_name":"A.","last_name":"Kühnle","full_name":"Kühnle, A."}],"publication_identifier":{"issn":["1098-0121","1550-235X"]},"doi":"10.1103/physrevb.86.075468","user_id":"16199","volume":86,"_id":"13539","language":[{"iso":"eng"}],"project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"issue":"7","publication":"Physical Review B","citation":{"ama":"Rode S, Hölscher R, Sanna S, et al. Atomic-resolution imaging of the polar (0001¯) surface of LiNbO3in aqueous solution by frequency modulation atomic force microscopy. <i>Physical Review B</i>. 2012;86(7). doi:<a href=\"https://doi.org/10.1103/physrevb.86.075468\">10.1103/physrevb.86.075468</a>","bibtex":"@article{Rode_Hölscher_Sanna_Klassen_Kobayashi_Yamada_Schmidt_Kühnle_2012, title={Atomic-resolution imaging of the polar (0001¯) surface of LiNbO3in aqueous solution by frequency modulation atomic force microscopy}, volume={86}, DOI={<a href=\"https://doi.org/10.1103/physrevb.86.075468\">10.1103/physrevb.86.075468</a>}, number={7}, journal={Physical Review B}, author={Rode, S. and Hölscher, R. and Sanna, S. and Klassen, S. and Kobayashi, K. and Yamada, H. and Schmidt, Wolf Gero and Kühnle, A.}, year={2012} }","mla":"Rode, S., et al. “Atomic-Resolution Imaging of the Polar (0001¯) Surface of LiNbO3in Aqueous Solution by Frequency Modulation Atomic Force Microscopy.” <i>Physical Review B</i>, vol. 86, no. 7, 2012, doi:<a href=\"https://doi.org/10.1103/physrevb.86.075468\">10.1103/physrevb.86.075468</a>.","chicago":"Rode, S., R. Hölscher, S. Sanna, S. Klassen, K. Kobayashi, H. Yamada, Wolf Gero Schmidt, and A. Kühnle. “Atomic-Resolution Imaging of the Polar (0001¯) Surface of LiNbO3in Aqueous Solution by Frequency Modulation Atomic Force Microscopy.” <i>Physical Review B</i> 86, no. 7 (2012). <a href=\"https://doi.org/10.1103/physrevb.86.075468\">https://doi.org/10.1103/physrevb.86.075468</a>.","short":"S. Rode, R. Hölscher, S. Sanna, S. Klassen, K. Kobayashi, H. Yamada, W.G. Schmidt, A. Kühnle, Physical Review B 86 (2012).","apa":"Rode, S., Hölscher, R., Sanna, S., Klassen, S., Kobayashi, K., Yamada, H., Schmidt, W. G., &#38; Kühnle, A. (2012). Atomic-resolution imaging of the polar (0001¯) surface of LiNbO3in aqueous solution by frequency modulation atomic force microscopy. <i>Physical Review B</i>, <i>86</i>(7). <a href=\"https://doi.org/10.1103/physrevb.86.075468\">https://doi.org/10.1103/physrevb.86.075468</a>","ieee":"S. Rode <i>et al.</i>, “Atomic-resolution imaging of the polar (0001¯) surface of LiNbO3in aqueous solution by frequency modulation atomic force microscopy,” <i>Physical Review B</i>, vol. 86, no. 7, 2012, doi: <a href=\"https://doi.org/10.1103/physrevb.86.075468\">10.1103/physrevb.86.075468</a>."},"type":"journal_article","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"27"}],"date_created":"2019-09-30T14:41:52Z"},{"user_id":"16199","doi":"10.1103/physrevlett.109.186101","volume":109,"_id":"13534","language":[{"iso":"eng"}],"publication_status":"published","date_updated":"2025-12-05T10:48:24Z","intvolume":"       109","year":"2012","title":"Atomistic Picture of Charge Density Wave Formation at Surfaces","status":"public","publication_identifier":{"issn":["0031-9007","1079-7114"]},"author":[{"last_name":"Wall","first_name":"Simone","full_name":"Wall, Simone"},{"first_name":"Boris","last_name":"Krenzer","full_name":"Krenzer, Boris"},{"last_name":"Wippermann","first_name":"Stefan","full_name":"Wippermann, Stefan"},{"first_name":"Simone","last_name":"Sanna","full_name":"Sanna, Simone"},{"first_name":"Friedrich","last_name":"Klasing","full_name":"Klasing, Friedrich"},{"first_name":"Anja","last_name":"Hanisch-Blicharski","full_name":"Hanisch-Blicharski, Anja"},{"full_name":"Kammler, Martin","first_name":"Martin","last_name":"Kammler"},{"id":"468","full_name":"Schmidt, Wolf Gero","first_name":"Wolf Gero","last_name":"Schmidt","orcid":"0000-0002-2717-5076"},{"first_name":"Michael","last_name":"Horn-von Hoegen","full_name":"Horn-von Hoegen, Michael"}],"type":"journal_article","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"27"}],"date_created":"2019-09-30T14:30:43Z","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"publication":"Physical Review Letters","issue":"18","citation":{"mla":"Wall, Simone, et al. “Atomistic Picture of Charge Density Wave Formation at Surfaces.” <i>Physical Review Letters</i>, vol. 109, no. 18, 2012, doi:<a href=\"https://doi.org/10.1103/physrevlett.109.186101\">10.1103/physrevlett.109.186101</a>.","bibtex":"@article{Wall_Krenzer_Wippermann_Sanna_Klasing_Hanisch-Blicharski_Kammler_Schmidt_Horn-von Hoegen_2012, title={Atomistic Picture of Charge Density Wave Formation at Surfaces}, volume={109}, DOI={<a href=\"https://doi.org/10.1103/physrevlett.109.186101\">10.1103/physrevlett.109.186101</a>}, number={18}, journal={Physical Review Letters}, author={Wall, Simone and Krenzer, Boris and Wippermann, Stefan and Sanna, Simone and Klasing, Friedrich and Hanisch-Blicharski, Anja and Kammler, Martin and Schmidt, Wolf Gero and Horn-von Hoegen, Michael}, year={2012} }","ama":"Wall S, Krenzer B, Wippermann S, et al. Atomistic Picture of Charge Density Wave Formation at Surfaces. <i>Physical Review Letters</i>. 2012;109(18). doi:<a href=\"https://doi.org/10.1103/physrevlett.109.186101\">10.1103/physrevlett.109.186101</a>","ieee":"S. Wall <i>et al.</i>, “Atomistic Picture of Charge Density Wave Formation at Surfaces,” <i>Physical Review Letters</i>, vol. 109, no. 18, 2012, doi: <a href=\"https://doi.org/10.1103/physrevlett.109.186101\">10.1103/physrevlett.109.186101</a>.","apa":"Wall, S., Krenzer, B., Wippermann, S., Sanna, S., Klasing, F., Hanisch-Blicharski, A., Kammler, M., Schmidt, W. G., &#38; Horn-von Hoegen, M. (2012). Atomistic Picture of Charge Density Wave Formation at Surfaces. <i>Physical Review Letters</i>, <i>109</i>(18). <a href=\"https://doi.org/10.1103/physrevlett.109.186101\">https://doi.org/10.1103/physrevlett.109.186101</a>","chicago":"Wall, Simone, Boris Krenzer, Stefan Wippermann, Simone Sanna, Friedrich Klasing, Anja Hanisch-Blicharski, Martin Kammler, Wolf Gero Schmidt, and Michael Horn-von Hoegen. “Atomistic Picture of Charge Density Wave Formation at Surfaces.” <i>Physical Review Letters</i> 109, no. 18 (2012). <a href=\"https://doi.org/10.1103/physrevlett.109.186101\">https://doi.org/10.1103/physrevlett.109.186101</a>.","short":"S. Wall, B. Krenzer, S. Wippermann, S. Sanna, F. Klasing, A. Hanisch-Blicharski, M. Kammler, W.G. Schmidt, M. Horn-von Hoegen, Physical Review Letters 109 (2012)."}},{"status":"public","page":"1929-1933","_id":"13536","user_id":"16199","volume":59,"citation":{"ama":"Riefer A, Sanna S, Gavrilenko AV, Schmidt WG. Linear and nonlinear optical response of LiNbO3 calculated from first principles. <i>IEEE Transactions on Ultrasonics, Ferroelectrics, and Frequency Control</i>. 2012;59(9):1929-1933. doi:<a href=\"https://doi.org/10.1109/tuffc.2012.2409\">10.1109/tuffc.2012.2409</a>","short":"A. Riefer, S. Sanna, A.V. Gavrilenko, W.G. Schmidt, IEEE Transactions on Ultrasonics, Ferroelectrics, and Frequency Control 59 (2012) 1929–1933.","chicago":"Riefer, Arthur, Simone Sanna, Alexander V. Gavrilenko, and Wolf Gero Schmidt. “Linear and Nonlinear Optical Response of LiNbO3 Calculated from First Principles.” <i>IEEE Transactions on Ultrasonics, Ferroelectrics, and Frequency Control</i> 59, no. 9 (2012): 1929–33. <a href=\"https://doi.org/10.1109/tuffc.2012.2409\">https://doi.org/10.1109/tuffc.2012.2409</a>.","bibtex":"@article{Riefer_Sanna_Gavrilenko_Schmidt_2012, title={Linear and nonlinear optical response of LiNbO3 calculated from first principles}, volume={59}, DOI={<a href=\"https://doi.org/10.1109/tuffc.2012.2409\">10.1109/tuffc.2012.2409</a>}, number={9}, journal={IEEE Transactions on Ultrasonics, Ferroelectrics, and Frequency Control}, author={Riefer, Arthur and Sanna, Simone and Gavrilenko, Alexander V. and Schmidt, Wolf Gero}, year={2012}, pages={1929–1933} }","apa":"Riefer, A., Sanna, S., Gavrilenko, A. V., &#38; Schmidt, W. G. (2012). Linear and nonlinear optical response of LiNbO3 calculated from first principles. <i>IEEE Transactions on Ultrasonics, Ferroelectrics, and Frequency Control</i>, <i>59</i>(9), 1929–1933. <a href=\"https://doi.org/10.1109/tuffc.2012.2409\">https://doi.org/10.1109/tuffc.2012.2409</a>","mla":"Riefer, Arthur, et al. “Linear and Nonlinear Optical Response of LiNbO3 Calculated from First Principles.” <i>IEEE Transactions on Ultrasonics, Ferroelectrics, and Frequency Control</i>, vol. 59, no. 9, 2012, pp. 1929–33, doi:<a href=\"https://doi.org/10.1109/tuffc.2012.2409\">10.1109/tuffc.2012.2409</a>.","ieee":"A. Riefer, S. Sanna, A. V. Gavrilenko, and W. G. Schmidt, “Linear and nonlinear optical response of LiNbO3 calculated from first principles,” <i>IEEE Transactions on Ultrasonics, Ferroelectrics, and Frequency Control</i>, vol. 59, no. 9, pp. 1929–1933, 2012, doi: <a href=\"https://doi.org/10.1109/tuffc.2012.2409\">10.1109/tuffc.2012.2409</a>."},"project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"year":"2012","title":"Linear and nonlinear optical response of LiNbO3 calculated from first principles","publication_identifier":{"issn":["0885-3010"]},"author":[{"full_name":"Riefer, Arthur","first_name":"Arthur","last_name":"Riefer"},{"first_name":"Simone","last_name":"Sanna","full_name":"Sanna, Simone"},{"first_name":"Alexander V.","last_name":"Gavrilenko","full_name":"Gavrilenko, Alexander V."},{"first_name":"Wolf Gero","orcid":"0000-0002-2717-5076","last_name":"Schmidt","full_name":"Schmidt, Wolf Gero","id":"468"}],"publication_status":"published","date_updated":"2025-12-05T10:47:36Z","intvolume":"        59","language":[{"iso":"eng"}],"doi":"10.1109/tuffc.2012.2409","issue":"9","publication":"IEEE Transactions on Ultrasonics, Ferroelectrics, and Frequency Control","date_created":"2019-09-30T14:36:41Z","type":"journal_article","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"27"}]},{"language":[{"iso":"eng"}],"_id":"13541","user_id":"16199","doi":"10.1103/physrevb.86.064201","volume":86,"status":"public","year":"2012","title":"Fingerprints of order and disorder in the electronic and optical properties of crystalline and amorphous TiO2","publication_identifier":{"issn":["1098-0121","1550-235X"]},"author":[{"full_name":"Landmann, M.","last_name":"Landmann","first_name":"M."},{"full_name":"Köhler, T.","first_name":"T.","last_name":"Köhler"},{"full_name":"Köppen, S.","last_name":"Köppen","first_name":"S."},{"full_name":"Rauls, E.","first_name":"E.","last_name":"Rauls"},{"last_name":"Frauenheim","first_name":"T.","full_name":"Frauenheim, T."},{"id":"468","full_name":"Schmidt, Wolf Gero","first_name":"Wolf Gero","orcid":"0000-0002-2717-5076","last_name":"Schmidt"}],"publication_status":"published","date_updated":"2025-12-05T10:46:28Z","intvolume":"        86","date_created":"2019-09-30T14:44:41Z","type":"journal_article","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"27"}],"publication":"Physical Review B","issue":"6","citation":{"mla":"Landmann, M., et al. “Fingerprints of Order and Disorder in the Electronic and Optical Properties of Crystalline and Amorphous TiO2.” <i>Physical Review B</i>, vol. 86, no. 6, 2012, doi:<a href=\"https://doi.org/10.1103/physrevb.86.064201\">10.1103/physrevb.86.064201</a>.","ama":"Landmann M, Köhler T, Köppen S, Rauls E, Frauenheim T, Schmidt WG. Fingerprints of order and disorder in the electronic and optical properties of crystalline and amorphous TiO2. <i>Physical Review B</i>. 2012;86(6). doi:<a href=\"https://doi.org/10.1103/physrevb.86.064201\">10.1103/physrevb.86.064201</a>","bibtex":"@article{Landmann_Köhler_Köppen_Rauls_Frauenheim_Schmidt_2012, title={Fingerprints of order and disorder in the electronic and optical properties of crystalline and amorphous TiO2}, volume={86}, DOI={<a href=\"https://doi.org/10.1103/physrevb.86.064201\">10.1103/physrevb.86.064201</a>}, number={6}, journal={Physical Review B}, author={Landmann, M. and Köhler, T. and Köppen, S. and Rauls, E. and Frauenheim, T. and Schmidt, Wolf Gero}, year={2012} }","apa":"Landmann, M., Köhler, T., Köppen, S., Rauls, E., Frauenheim, T., &#38; Schmidt, W. G. (2012). Fingerprints of order and disorder in the electronic and optical properties of crystalline and amorphous TiO2. <i>Physical Review B</i>, <i>86</i>(6). <a href=\"https://doi.org/10.1103/physrevb.86.064201\">https://doi.org/10.1103/physrevb.86.064201</a>","ieee":"M. Landmann, T. Köhler, S. Köppen, E. Rauls, T. Frauenheim, and W. G. Schmidt, “Fingerprints of order and disorder in the electronic and optical properties of crystalline and amorphous TiO2,” <i>Physical Review B</i>, vol. 86, no. 6, 2012, doi: <a href=\"https://doi.org/10.1103/physrevb.86.064201\">10.1103/physrevb.86.064201</a>.","chicago":"Landmann, M., T. Köhler, S. Köppen, E. Rauls, T. Frauenheim, and Wolf Gero Schmidt. “Fingerprints of Order and Disorder in the Electronic and Optical Properties of Crystalline and Amorphous TiO2.” <i>Physical Review B</i> 86, no. 6 (2012). <a href=\"https://doi.org/10.1103/physrevb.86.064201\">https://doi.org/10.1103/physrevb.86.064201</a>.","short":"M. Landmann, T. Köhler, S. Köppen, E. Rauls, T. Frauenheim, W.G. Schmidt, Physical Review B 86 (2012)."},"project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}]},{"project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"publication":"The Journal of Physical Chemistry C","citation":{"short":"C. Schmidt, T. Breuer, S. Wippermann, W.G. Schmidt, G. Witte, The Journal of Physical Chemistry C 116 (2012) 24098–24106.","chicago":"Schmidt, Christian, Tobias Breuer, Stefan Wippermann, Wolf Gero Schmidt, and Gregor Witte. “Substrate Induced Thermal Decomposition of Perfluoro-Pentacene Thin Films on the Coinage Metals.” <i>The Journal of Physical Chemistry C</i> 116 (2012): 24098–106. <a href=\"https://doi.org/10.1021/jp307316r\">https://doi.org/10.1021/jp307316r</a>.","apa":"Schmidt, C., Breuer, T., Wippermann, S., Schmidt, W. G., &#38; Witte, G. (2012). Substrate Induced Thermal Decomposition of Perfluoro-Pentacene Thin Films on the Coinage Metals. <i>The Journal of Physical Chemistry C</i>, <i>116</i>, 24098–24106. <a href=\"https://doi.org/10.1021/jp307316r\">https://doi.org/10.1021/jp307316r</a>","ieee":"C. Schmidt, T. Breuer, S. Wippermann, W. G. Schmidt, and G. Witte, “Substrate Induced Thermal Decomposition of Perfluoro-Pentacene Thin Films on the Coinage Metals,” <i>The Journal of Physical Chemistry C</i>, vol. 116, pp. 24098–24106, 2012, doi: <a href=\"https://doi.org/10.1021/jp307316r\">10.1021/jp307316r</a>.","ama":"Schmidt C, Breuer T, Wippermann S, Schmidt WG, Witte G. Substrate Induced Thermal Decomposition of Perfluoro-Pentacene Thin Films on the Coinage Metals. <i>The Journal of Physical Chemistry C</i>. 2012;116:24098-24106. doi:<a href=\"https://doi.org/10.1021/jp307316r\">10.1021/jp307316r</a>","bibtex":"@article{Schmidt_Breuer_Wippermann_Schmidt_Witte_2012, title={Substrate Induced Thermal Decomposition of Perfluoro-Pentacene Thin Films on the Coinage Metals}, volume={116}, DOI={<a href=\"https://doi.org/10.1021/jp307316r\">10.1021/jp307316r</a>}, journal={The Journal of Physical Chemistry C}, author={Schmidt, Christian and Breuer, Tobias and Wippermann, Stefan and Schmidt, Wolf Gero and Witte, Gregor}, year={2012}, pages={24098–24106} }","mla":"Schmidt, Christian, et al. “Substrate Induced Thermal Decomposition of Perfluoro-Pentacene Thin Films on the Coinage Metals.” <i>The Journal of Physical Chemistry C</i>, vol. 116, 2012, pp. 24098–106, doi:<a href=\"https://doi.org/10.1021/jp307316r\">10.1021/jp307316r</a>."},"type":"journal_article","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"27"}],"date_created":"2019-09-30T14:24:41Z","date_updated":"2025-12-05T10:48:55Z","publication_status":"published","intvolume":"       116","year":"2012","title":"Substrate Induced Thermal Decomposition of Perfluoro-Pentacene Thin Films on the Coinage Metals","status":"public","author":[{"full_name":"Schmidt, Christian","first_name":"Christian","last_name":"Schmidt"},{"last_name":"Breuer","first_name":"Tobias","full_name":"Breuer, Tobias"},{"full_name":"Wippermann, Stefan","first_name":"Stefan","last_name":"Wippermann"},{"last_name":"Schmidt","first_name":"Wolf Gero","orcid":"0000-0002-2717-5076","full_name":"Schmidt, Wolf Gero","id":"468"},{"first_name":"Gregor","last_name":"Witte","full_name":"Witte, Gregor"}],"publication_identifier":{"issn":["1932-7447","1932-7455"]},"doi":"10.1021/jp307316r","user_id":"16199","volume":116,"page":"24098-24106","_id":"13531","language":[{"iso":"eng"}]},{"publication":"IEEE Transactions on Ultrasonics, Ferroelectrics and Frequency Control","issue":"9","type":"journal_article","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"27"}],"date_created":"2019-09-30T14:32:33Z","publication_status":"published","date_updated":"2025-12-05T10:47:57Z","intvolume":"        59","title":"Ferroelectric phase transition in LiNbO3: Insights from molecular dynamics","year":"2012","author":[{"full_name":"Sanna, S.","first_name":"S.","last_name":"Sanna"},{"first_name":"Wolf Gero","orcid":"0000-0002-2717-5076","last_name":"Schmidt","full_name":"Schmidt, Wolf Gero","id":"468"}],"publication_identifier":{"issn":["0885-3010"]},"doi":"10.1109/tuffc.2012.2408","language":[{"iso":"eng"}],"project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"citation":{"bibtex":"@article{Sanna_Schmidt_2012, title={Ferroelectric phase transition in LiNbO3: Insights from molecular dynamics}, volume={59}, DOI={<a href=\"https://doi.org/10.1109/tuffc.2012.2408\">10.1109/tuffc.2012.2408</a>}, number={9}, journal={IEEE Transactions on Ultrasonics, Ferroelectrics and Frequency Control}, author={Sanna, S. and Schmidt, Wolf Gero}, year={2012}, pages={1925–1928} }","ama":"Sanna S, Schmidt WG. Ferroelectric phase transition in LiNbO3: Insights from molecular dynamics. <i>IEEE Transactions on Ultrasonics, Ferroelectrics and Frequency Control</i>. 2012;59(9):1925-1928. doi:<a href=\"https://doi.org/10.1109/tuffc.2012.2408\">10.1109/tuffc.2012.2408</a>","mla":"Sanna, S., and Wolf Gero Schmidt. “Ferroelectric Phase Transition in LiNbO3: Insights from Molecular Dynamics.” <i>IEEE Transactions on Ultrasonics, Ferroelectrics and Frequency Control</i>, vol. 59, no. 9, 2012, pp. 1925–28, doi:<a href=\"https://doi.org/10.1109/tuffc.2012.2408\">10.1109/tuffc.2012.2408</a>.","short":"S. Sanna, W.G. Schmidt, IEEE Transactions on Ultrasonics, Ferroelectrics and Frequency Control 59 (2012) 1925–1928.","chicago":"Sanna, S., and Wolf Gero Schmidt. “Ferroelectric Phase Transition in LiNbO3: Insights from Molecular Dynamics.” <i>IEEE Transactions on Ultrasonics, Ferroelectrics and Frequency Control</i> 59, no. 9 (2012): 1925–28. <a href=\"https://doi.org/10.1109/tuffc.2012.2408\">https://doi.org/10.1109/tuffc.2012.2408</a>.","ieee":"S. Sanna and W. G. Schmidt, “Ferroelectric phase transition in LiNbO3: Insights from molecular dynamics,” <i>IEEE Transactions on Ultrasonics, Ferroelectrics and Frequency Control</i>, vol. 59, no. 9, pp. 1925–1928, 2012, doi: <a href=\"https://doi.org/10.1109/tuffc.2012.2408\">10.1109/tuffc.2012.2408</a>.","apa":"Sanna, S., &#38; Schmidt, W. G. (2012). Ferroelectric phase transition in LiNbO3: Insights from molecular dynamics. <i>IEEE Transactions on Ultrasonics, Ferroelectrics and Frequency Control</i>, <i>59</i>(9), 1925–1928. <a href=\"https://doi.org/10.1109/tuffc.2012.2408\">https://doi.org/10.1109/tuffc.2012.2408</a>"},"status":"public","user_id":"16199","volume":59,"page":"1925-1928","_id":"13535"},{"date_updated":"2025-12-05T10:47:16Z","publication_status":"published","intvolume":"        86","title":"Polarization-dependent methanol adsorption on lithium niobate Z-cut surfaces","status":"public","year":"2012","author":[{"last_name":"Riefer","first_name":"A.","full_name":"Riefer, A."},{"full_name":"Sanna, S.","last_name":"Sanna","first_name":"S."},{"first_name":"Wolf Gero","orcid":"0000-0002-2717-5076","last_name":"Schmidt","full_name":"Schmidt, Wolf Gero","id":"468"}],"publication_identifier":{"issn":["1098-0121","1550-235X"]},"doi":"10.1103/physrevb.86.125410","user_id":"16199","volume":86,"language":[{"iso":"eng"}],"_id":"13538","project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"issue":"12","publication":"Physical Review B","citation":{"ama":"Riefer A, Sanna S, Schmidt WG. Polarization-dependent methanol adsorption on lithium niobate Z-cut surfaces. <i>Physical Review B</i>. 2012;86(12). doi:<a href=\"https://doi.org/10.1103/physrevb.86.125410\">10.1103/physrevb.86.125410</a>","bibtex":"@article{Riefer_Sanna_Schmidt_2012, title={Polarization-dependent methanol adsorption on lithium niobate Z-cut surfaces}, volume={86}, DOI={<a href=\"https://doi.org/10.1103/physrevb.86.125410\">10.1103/physrevb.86.125410</a>}, number={12}, journal={Physical Review B}, author={Riefer, A. and Sanna, S. and Schmidt, Wolf Gero}, year={2012} }","mla":"Riefer, A., et al. “Polarization-Dependent Methanol Adsorption on Lithium Niobate Z-Cut Surfaces.” <i>Physical Review B</i>, vol. 86, no. 12, 2012, doi:<a href=\"https://doi.org/10.1103/physrevb.86.125410\">10.1103/physrevb.86.125410</a>.","short":"A. Riefer, S. Sanna, W.G. Schmidt, Physical Review B 86 (2012).","chicago":"Riefer, A., S. Sanna, and Wolf Gero Schmidt. “Polarization-Dependent Methanol Adsorption on Lithium Niobate Z-Cut Surfaces.” <i>Physical Review B</i> 86, no. 12 (2012). <a href=\"https://doi.org/10.1103/physrevb.86.125410\">https://doi.org/10.1103/physrevb.86.125410</a>.","apa":"Riefer, A., Sanna, S., &#38; Schmidt, W. G. (2012). Polarization-dependent methanol adsorption on lithium niobate Z-cut surfaces. <i>Physical Review B</i>, <i>86</i>(12). <a href=\"https://doi.org/10.1103/physrevb.86.125410\">https://doi.org/10.1103/physrevb.86.125410</a>","ieee":"A. Riefer, S. Sanna, and W. G. Schmidt, “Polarization-dependent methanol adsorption on lithium niobate Z-cut surfaces,” <i>Physical Review B</i>, vol. 86, no. 12, 2012, doi: <a href=\"https://doi.org/10.1103/physrevb.86.125410\">10.1103/physrevb.86.125410</a>."},"type":"journal_article","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"27"}],"date_created":"2019-09-30T14:40:30Z"},{"doi":"10.1002/pssb.201100457","language":[{"iso":"eng"}],"publication_status":"published","date_updated":"2025-12-16T07:52:26Z","intvolume":"       249","title":"In-Si(111)(4 × 1)/(8 × 2) nanowires: Electron transport, entropy, and metal-insulator transition","year":"2012","author":[{"id":"468","full_name":"Schmidt, Wolf Gero","last_name":"Schmidt","orcid":"0000-0002-2717-5076","first_name":"Wolf Gero"},{"full_name":"Wippermann, S.","first_name":"S.","last_name":"Wippermann"},{"full_name":"Sanna, S.","last_name":"Sanna","first_name":"S."},{"last_name":"Babilon","first_name":"M.","full_name":"Babilon, M."},{"last_name":"Vollmers","first_name":"N. J.","full_name":"Vollmers, N. J."},{"first_name":"Uwe","last_name":"Gerstmann","orcid":"0000-0002-4476-223X","full_name":"Gerstmann, Uwe","id":"171"}],"publication_identifier":{"issn":["0370-1972"]},"type":"journal_article","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"790"},{"_id":"230"},{"_id":"27"}],"date_created":"2019-10-15T06:56:58Z","issue":"2","publication":"physica status solidi (b)","user_id":"16199","volume":249,"page":"343-359","_id":"13820","funded_apc":"1","status":"public","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"citation":{"mla":"Schmidt, Wolf Gero, et al. “In-Si(111)(4 × 1)/(8 × 2) Nanowires: Electron Transport, Entropy, and Metal-Insulator Transition.” <i>Physica Status Solidi (b)</i>, vol. 249, no. 2, 2012, pp. 343–59, doi:<a href=\"https://doi.org/10.1002/pssb.201100457\">10.1002/pssb.201100457</a>.","ama":"Schmidt WG, Wippermann S, Sanna S, Babilon M, Vollmers NJ, Gerstmann U. In-Si(111)(4 × 1)/(8 × 2) nanowires: Electron transport, entropy, and metal-insulator transition. <i>physica status solidi (b)</i>. 2012;249(2):343-359. doi:<a href=\"https://doi.org/10.1002/pssb.201100457\">10.1002/pssb.201100457</a>","bibtex":"@article{Schmidt_Wippermann_Sanna_Babilon_Vollmers_Gerstmann_2012, title={In-Si(111)(4 × 1)/(8 × 2) nanowires: Electron transport, entropy, and metal-insulator transition}, volume={249}, DOI={<a href=\"https://doi.org/10.1002/pssb.201100457\">10.1002/pssb.201100457</a>}, number={2}, journal={physica status solidi (b)}, author={Schmidt, Wolf Gero and Wippermann, S. and Sanna, S. and Babilon, M. and Vollmers, N. J. and Gerstmann, Uwe}, year={2012}, pages={343–359} }","apa":"Schmidt, W. G., Wippermann, S., Sanna, S., Babilon, M., Vollmers, N. J., &#38; Gerstmann, U. (2012). In-Si(111)(4 × 1)/(8 × 2) nanowires: Electron transport, entropy, and metal-insulator transition. <i>Physica Status Solidi (b)</i>, <i>249</i>(2), 343–359. <a href=\"https://doi.org/10.1002/pssb.201100457\">https://doi.org/10.1002/pssb.201100457</a>","ieee":"W. G. Schmidt, S. Wippermann, S. Sanna, M. Babilon, N. J. Vollmers, and U. Gerstmann, “In-Si(111)(4 × 1)/(8 × 2) nanowires: Electron transport, entropy, and metal-insulator transition,” <i>physica status solidi (b)</i>, vol. 249, no. 2, pp. 343–359, 2012, doi: <a href=\"https://doi.org/10.1002/pssb.201100457\">10.1002/pssb.201100457</a>.","chicago":"Schmidt, Wolf Gero, S. Wippermann, S. Sanna, M. Babilon, N. J. Vollmers, and Uwe Gerstmann. “In-Si(111)(4 × 1)/(8 × 2) Nanowires: Electron Transport, Entropy, and Metal-Insulator Transition.” <i>Physica Status Solidi (b)</i> 249, no. 2 (2012): 343–59. <a href=\"https://doi.org/10.1002/pssb.201100457\">https://doi.org/10.1002/pssb.201100457</a>.","short":"W.G. Schmidt, S. Wippermann, S. Sanna, M. Babilon, N.J. Vollmers, U. Gerstmann, Physica Status Solidi (b) 249 (2012) 343–359."}},{"type":"journal_article","department":[{"_id":"15"},{"_id":"286"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"}],"file":[{"success":1,"content_type":"application/pdf","file_id":"4137","access_level":"closed","file_size":283206,"file_name":"First-principles and empirical potential simulation study of intrinsic and carbon-related defects in silicon.pdf","date_updated":"2018-08-27T12:19:56Z","relation":"main_file","date_created":"2018-08-27T12:19:56Z","creator":"hclaudia"}],"date_created":"2018-08-27T12:19:26Z","abstract":[{"text":"Results of atomistic simulations aimed at understanding precipitation of the highly attractive wide band gap\r\nsemiconductor material silicon carbide in silicon are presented. The study involves a systematic investigation of\r\nintrinsic and carbon-related defects as well as defect combinations and defect migration by both, quantummechanical\r\nfirst-principles as well as empirical potential methods. Comparing formation and activation energies,\r\nground-state structures of defects and defect combinations as well as energetically favorable agglomeration of\r\ndefects are predicted. Moreover, accurate ab initio calculations unveil limitations of the analytical method based\r\non a Tersoff-like bond order potential. A work-around is proposed in order to subsequently apply the highly efficient technique on large structures not accessible by first-principles methods. The outcome of both types of simulation provides a basic microscopic understanding of defect formation and structural evolution particularly at non-equilibrium conditions strongly deviated from the ground state as commonly found in SiC growth processes. A possible precipitation mechanism, which conforms well to experimental findings and clarifies contradictory views present in the literature is outlined.","lang":"eng"}],"publication":"physica status solidi (c)","issue":"10-11","doi":"10.1002/pssc.201200198","language":[{"iso":"eng"}],"publication_status":"published","date_updated":"2025-12-16T11:28:58Z","article_type":"original","intvolume":"         9","title":"First-principles and empirical potential simulation study of intrinsic and carbon-related defects in silicon","year":"2012","author":[{"last_name":"Zirkelbach","first_name":"F.","full_name":"Zirkelbach, F."},{"full_name":"Stritzker, B.","last_name":"Stritzker","first_name":"B."},{"full_name":"Nordlund, K.","last_name":"Nordlund","first_name":"K."},{"orcid":"0000-0002-2717-5076","first_name":"Wolf Gero","last_name":"Schmidt","full_name":"Schmidt, Wolf Gero","id":"468"},{"full_name":"Rauls, E.","first_name":"E.","last_name":"Rauls"},{"id":"20797","first_name":"Jörg K. N.","last_name":"Lindner","full_name":"Lindner, Jörg K. N."}],"publication_identifier":{"issn":["1862-6351"]},"file_date_updated":"2018-08-27T12:19:56Z","citation":{"mla":"Zirkelbach, F., et al. “First-Principles and Empirical Potential Simulation Study of Intrinsic and Carbon-Related Defects in Silicon.” <i>Physica Status Solidi (c)</i>, vol. 9, no. 10–11, Wiley, 2012, pp. 1968–73, doi:<a href=\"https://doi.org/10.1002/pssc.201200198\">10.1002/pssc.201200198</a>.","ama":"Zirkelbach F, Stritzker B, Nordlund K, Schmidt WG, Rauls E, Lindner JKN. First-principles and empirical potential simulation study of intrinsic and carbon-related defects in silicon. <i>physica status solidi (c)</i>. 2012;9(10-11):1968-1973. doi:<a href=\"https://doi.org/10.1002/pssc.201200198\">10.1002/pssc.201200198</a>","bibtex":"@article{Zirkelbach_Stritzker_Nordlund_Schmidt_Rauls_Lindner_2012, title={First-principles and empirical potential simulation study of intrinsic and carbon-related defects in silicon}, volume={9}, DOI={<a href=\"https://doi.org/10.1002/pssc.201200198\">10.1002/pssc.201200198</a>}, number={10–11}, journal={physica status solidi (c)}, publisher={Wiley}, author={Zirkelbach, F. and Stritzker, B. and Nordlund, K. and Schmidt, Wolf Gero and Rauls, E. and Lindner, Jörg K. N.}, year={2012}, pages={1968–1973} }","apa":"Zirkelbach, F., Stritzker, B., Nordlund, K., Schmidt, W. G., Rauls, E., &#38; Lindner, J. K. N. (2012). First-principles and empirical potential simulation study of intrinsic and carbon-related defects in silicon. <i>Physica Status Solidi (c)</i>, <i>9</i>(10–11), 1968–1973. <a href=\"https://doi.org/10.1002/pssc.201200198\">https://doi.org/10.1002/pssc.201200198</a>","ieee":"F. Zirkelbach, B. Stritzker, K. Nordlund, W. G. Schmidt, E. Rauls, and J. K. N. Lindner, “First-principles and empirical potential simulation study of intrinsic and carbon-related defects in silicon,” <i>physica status solidi (c)</i>, vol. 9, no. 10–11, pp. 1968–1973, 2012, doi: <a href=\"https://doi.org/10.1002/pssc.201200198\">10.1002/pssc.201200198</a>.","chicago":"Zirkelbach, F., B. Stritzker, K. Nordlund, Wolf Gero Schmidt, E. Rauls, and Jörg K. N. Lindner. “First-Principles and Empirical Potential Simulation Study of Intrinsic and Carbon-Related Defects in Silicon.” <i>Physica Status Solidi (c)</i> 9, no. 10–11 (2012): 1968–73. <a href=\"https://doi.org/10.1002/pssc.201200198\">https://doi.org/10.1002/pssc.201200198</a>.","short":"F. Zirkelbach, B. Stritzker, K. Nordlund, W.G. Schmidt, E. Rauls, J.K.N. Lindner, Physica Status Solidi (c) 9 (2012) 1968–1973."},"user_id":"16199","ddc":["530"],"volume":9,"page":"1968-1973","publisher":"Wiley","_id":"4136","has_accepted_license":"1","status":"public"},{"_id":"13565","page":"6480-6486","volume":5,"user_id":"16199","status":"public","citation":{"apa":"Müllegger, S., Schöfberger, W., Rashidi, M., Lengauer, T., Klappenberger, F., Diller, K., Kara, K., Barth, J. V., Rauls, E., Schmidt, W. G., &#38; Koch, R. (2011). Preserving Charge and Oxidation State of Au(III) Ions in an Agent-Functionalized Nanocrystal Model System. <i>ACS Nano</i>, <i>5</i>(8), 6480–6486. <a href=\"https://doi.org/10.1021/nn201708c\">https://doi.org/10.1021/nn201708c</a>","ieee":"S. Müllegger <i>et al.</i>, “Preserving Charge and Oxidation State of Au(III) Ions in an Agent-Functionalized Nanocrystal Model System,” <i>ACS Nano</i>, vol. 5, no. 8, pp. 6480–6486, 2011, doi: <a href=\"https://doi.org/10.1021/nn201708c\">10.1021/nn201708c</a>.","short":"S. Müllegger, W. Schöfberger, M. Rashidi, T. Lengauer, F. Klappenberger, K. Diller, K. Kara, J.V. Barth, E. Rauls, W.G. Schmidt, R. Koch, ACS Nano 5 (2011) 6480–6486.","chicago":"Müllegger, Stefan, Wolfgang Schöfberger, Mohammad Rashidi, Thomas Lengauer, Florian Klappenberger, Katharina Diller, Kamuran Kara, et al. “Preserving Charge and Oxidation State of Au(III) Ions in an Agent-Functionalized Nanocrystal Model System.” <i>ACS Nano</i> 5, no. 8 (2011): 6480–86. <a href=\"https://doi.org/10.1021/nn201708c\">https://doi.org/10.1021/nn201708c</a>.","mla":"Müllegger, Stefan, et al. “Preserving Charge and Oxidation State of Au(III) Ions in an Agent-Functionalized Nanocrystal Model System.” <i>ACS Nano</i>, vol. 5, no. 8, 2011, pp. 6480–86, doi:<a href=\"https://doi.org/10.1021/nn201708c\">10.1021/nn201708c</a>.","ama":"Müllegger S, Schöfberger W, Rashidi M, et al. Preserving Charge and Oxidation State of Au(III) Ions in an Agent-Functionalized Nanocrystal Model System. <i>ACS Nano</i>. 2011;5(8):6480-6486. doi:<a href=\"https://doi.org/10.1021/nn201708c\">10.1021/nn201708c</a>","bibtex":"@article{Müllegger_Schöfberger_Rashidi_Lengauer_Klappenberger_Diller_Kara_Barth_Rauls_Schmidt_et al._2011, title={Preserving Charge and Oxidation State of Au(III) Ions in an Agent-Functionalized Nanocrystal Model System}, volume={5}, DOI={<a href=\"https://doi.org/10.1021/nn201708c\">10.1021/nn201708c</a>}, number={8}, journal={ACS Nano}, author={Müllegger, Stefan and Schöfberger, Wolfgang and Rashidi, Mohammad and Lengauer, Thomas and Klappenberger, Florian and Diller, Katharina and Kara, Kamuran and Barth, Johannes V. and Rauls, Eva and Schmidt, Wolf Gero and et al.}, year={2011}, pages={6480–6486} }"},"project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"language":[{"iso":"eng"}],"doi":"10.1021/nn201708c","publication_identifier":{"issn":["1936-0851","1936-086X"]},"author":[{"first_name":"Stefan","last_name":"Müllegger","full_name":"Müllegger, Stefan"},{"last_name":"Schöfberger","first_name":"Wolfgang","full_name":"Schöfberger, Wolfgang"},{"first_name":"Mohammad","last_name":"Rashidi","full_name":"Rashidi, Mohammad"},{"first_name":"Thomas","last_name":"Lengauer","full_name":"Lengauer, Thomas"},{"first_name":"Florian","last_name":"Klappenberger","full_name":"Klappenberger, Florian"},{"first_name":"Katharina","last_name":"Diller","full_name":"Diller, Katharina"},{"full_name":"Kara, Kamuran","last_name":"Kara","first_name":"Kamuran"},{"last_name":"Barth","first_name":"Johannes V.","full_name":"Barth, Johannes V."},{"full_name":"Rauls, Eva","first_name":"Eva","last_name":"Rauls"},{"id":"468","orcid":"0000-0002-2717-5076","last_name":"Schmidt","first_name":"Wolf Gero","full_name":"Schmidt, Wolf Gero"},{"last_name":"Koch","first_name":"Reinhold","full_name":"Koch, Reinhold"}],"year":"2011","title":"Preserving Charge and Oxidation State of Au(III) Ions in an Agent-Functionalized Nanocrystal Model System","intvolume":"         5","publication_status":"published","date_updated":"2025-12-05T10:42:34Z","date_created":"2019-10-01T09:05:54Z","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"27"}],"type":"journal_article","issue":"8","publication":"ACS Nano"},{"user_id":"16199","doi":"10.1103/physrevlett.106.196101","volume":106,"_id":"13566","language":[{"iso":"eng"}],"publication_status":"published","date_updated":"2025-12-05T10:42:11Z","intvolume":"       106","status":"public","title":"Electrically Detected Electron-Spin-Echo Envelope Modulation: A Highly Sensitive Technique for Resolving Complex Interface Structures","year":"2011","author":[{"full_name":"Hoehne, Felix","last_name":"Hoehne","first_name":"Felix"},{"full_name":"Lu, Jinming","first_name":"Jinming","last_name":"Lu"},{"last_name":"Stegner","first_name":"Andre R.","full_name":"Stegner, Andre R."},{"last_name":"Stutzmann","first_name":"Martin","full_name":"Stutzmann, Martin"},{"last_name":"Brandt","first_name":"Martin S.","full_name":"Brandt, Martin S."},{"first_name":"Martin","last_name":"Rohrmüller","full_name":"Rohrmüller, Martin"},{"id":"468","full_name":"Schmidt, Wolf Gero","last_name":"Schmidt","first_name":"Wolf Gero","orcid":"0000-0002-2717-5076"},{"id":"171","full_name":"Gerstmann, Uwe","orcid":"0000-0002-4476-223X","last_name":"Gerstmann","first_name":"Uwe"}],"publication_identifier":{"issn":["0031-9007","1079-7114"]},"type":"journal_article","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"790"},{"_id":"35"},{"_id":"230"}],"date_created":"2019-10-01T09:07:32Z","issue":"19","publication":"Physical Review Letters","citation":{"bibtex":"@article{Hoehne_Lu_Stegner_Stutzmann_Brandt_Rohrmüller_Schmidt_Gerstmann_2011, title={Electrically Detected Electron-Spin-Echo Envelope Modulation: A Highly Sensitive Technique for Resolving Complex Interface Structures}, volume={106}, DOI={<a href=\"https://doi.org/10.1103/physrevlett.106.196101\">10.1103/physrevlett.106.196101</a>}, number={19}, journal={Physical Review Letters}, author={Hoehne, Felix and Lu, Jinming and Stegner, Andre R. and Stutzmann, Martin and Brandt, Martin S. and Rohrmüller, Martin and Schmidt, Wolf Gero and Gerstmann, Uwe}, year={2011} }","ama":"Hoehne F, Lu J, Stegner AR, et al. Electrically Detected Electron-Spin-Echo Envelope Modulation: A Highly Sensitive Technique for Resolving Complex Interface Structures. <i>Physical Review Letters</i>. 2011;106(19). doi:<a href=\"https://doi.org/10.1103/physrevlett.106.196101\">10.1103/physrevlett.106.196101</a>","short":"F. Hoehne, J. Lu, A.R. Stegner, M. Stutzmann, M.S. Brandt, M. Rohrmüller, W.G. Schmidt, U. Gerstmann, Physical Review Letters 106 (2011).","chicago":"Hoehne, Felix, Jinming Lu, Andre R. Stegner, Martin Stutzmann, Martin S. Brandt, Martin Rohrmüller, Wolf Gero Schmidt, and Uwe Gerstmann. “Electrically Detected Electron-Spin-Echo Envelope Modulation: A Highly Sensitive Technique for Resolving Complex Interface Structures.” <i>Physical Review Letters</i> 106, no. 19 (2011). <a href=\"https://doi.org/10.1103/physrevlett.106.196101\">https://doi.org/10.1103/physrevlett.106.196101</a>.","ieee":"F. Hoehne <i>et al.</i>, “Electrically Detected Electron-Spin-Echo Envelope Modulation: A Highly Sensitive Technique for Resolving Complex Interface Structures,” <i>Physical Review Letters</i>, vol. 106, no. 19, 2011, doi: <a href=\"https://doi.org/10.1103/physrevlett.106.196101\">10.1103/physrevlett.106.196101</a>.","apa":"Hoehne, F., Lu, J., Stegner, A. R., Stutzmann, M., Brandt, M. S., Rohrmüller, M., Schmidt, W. G., &#38; Gerstmann, U. (2011). Electrically Detected Electron-Spin-Echo Envelope Modulation: A Highly Sensitive Technique for Resolving Complex Interface Structures. <i>Physical Review Letters</i>, <i>106</i>(19). <a href=\"https://doi.org/10.1103/physrevlett.106.196101\">https://doi.org/10.1103/physrevlett.106.196101</a>","mla":"Hoehne, Felix, et al. “Electrically Detected Electron-Spin-Echo Envelope Modulation: A Highly Sensitive Technique for Resolving Complex Interface Structures.” <i>Physical Review Letters</i>, vol. 106, no. 19, 2011, doi:<a href=\"https://doi.org/10.1103/physrevlett.106.196101\">10.1103/physrevlett.106.196101</a>."}},{"volume":83,"user_id":"16199","doi":"10.1103/physrevb.83.195301","_id":"13568","language":[{"iso":"eng"}],"intvolume":"        83","publication_status":"published","date_updated":"2025-12-05T10:41:18Z","author":[{"full_name":"Mietze, C.","last_name":"Mietze","first_name":"C."},{"full_name":"Landmann, M.","first_name":"M.","last_name":"Landmann"},{"last_name":"Rauls","first_name":"E.","full_name":"Rauls, E."},{"full_name":"Machhadani, H.","last_name":"Machhadani","first_name":"H."},{"first_name":"S.","last_name":"Sakr","full_name":"Sakr, S."},{"first_name":"M.","last_name":"Tchernycheva","full_name":"Tchernycheva, M."},{"full_name":"Julien, F. H.","last_name":"Julien","first_name":"F. H."},{"id":"468","full_name":"Schmidt, Wolf Gero","first_name":"Wolf Gero","orcid":"0000-0002-2717-5076","last_name":"Schmidt"},{"full_name":"Lischka, K.","last_name":"Lischka","first_name":"K."},{"id":"14","first_name":"Donat Josef","orcid":"0000-0003-1121-3565","last_name":"As","full_name":"As, Donat Josef"}],"publication_identifier":{"issn":["1098-0121","1550-235X"]},"title":"Band offsets in cubic GaN/AlN superlattices","status":"public","year":"2011","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"284"},{"_id":"35"},{"_id":"230"},{"_id":"27"}],"type":"journal_article","date_created":"2019-10-01T09:11:23Z","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"citation":{"short":"C. Mietze, M. Landmann, E. Rauls, H. Machhadani, S. Sakr, M. Tchernycheva, F.H. Julien, W.G. Schmidt, K. Lischka, D.J. As, Physical Review B 83 (2011).","chicago":"Mietze, C., M. Landmann, E. Rauls, H. Machhadani, S. Sakr, M. Tchernycheva, F. H. Julien, Wolf Gero Schmidt, K. Lischka, and Donat Josef As. “Band Offsets in Cubic GaN/AlN Superlattices.” <i>Physical Review B</i> 83, no. 19 (2011). <a href=\"https://doi.org/10.1103/physrevb.83.195301\">https://doi.org/10.1103/physrevb.83.195301</a>.","apa":"Mietze, C., Landmann, M., Rauls, E., Machhadani, H., Sakr, S., Tchernycheva, M., Julien, F. H., Schmidt, W. G., Lischka, K., &#38; As, D. J. (2011). Band offsets in cubic GaN/AlN superlattices. <i>Physical Review B</i>, <i>83</i>(19). <a href=\"https://doi.org/10.1103/physrevb.83.195301\">https://doi.org/10.1103/physrevb.83.195301</a>","ieee":"C. Mietze <i>et al.</i>, “Band offsets in cubic GaN/AlN superlattices,” <i>Physical Review B</i>, vol. 83, no. 19, 2011, doi: <a href=\"https://doi.org/10.1103/physrevb.83.195301\">10.1103/physrevb.83.195301</a>.","ama":"Mietze C, Landmann M, Rauls E, et al. Band offsets in cubic GaN/AlN superlattices. <i>Physical Review B</i>. 2011;83(19). doi:<a href=\"https://doi.org/10.1103/physrevb.83.195301\">10.1103/physrevb.83.195301</a>","bibtex":"@article{Mietze_Landmann_Rauls_Machhadani_Sakr_Tchernycheva_Julien_Schmidt_Lischka_As_2011, title={Band offsets in cubic GaN/AlN superlattices}, volume={83}, DOI={<a href=\"https://doi.org/10.1103/physrevb.83.195301\">10.1103/physrevb.83.195301</a>}, number={19}, journal={Physical Review B}, author={Mietze, C. and Landmann, M. and Rauls, E. and Machhadani, H. and Sakr, S. and Tchernycheva, M. and Julien, F. H. and Schmidt, Wolf Gero and Lischka, K. and As, Donat Josef}, year={2011} }","mla":"Mietze, C., et al. “Band Offsets in Cubic GaN/AlN Superlattices.” <i>Physical Review B</i>, vol. 83, no. 19, 2011, doi:<a href=\"https://doi.org/10.1103/physrevb.83.195301\">10.1103/physrevb.83.195301</a>."},"issue":"19","publication":"Physical Review B"},{"project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"issue":"16","publication":"Physical Review B","citation":{"apa":"Müllegger, S., Rashidi, M., Lengauer, T., Rauls, E., Schmidt, W. G., Knör, G., Schöfberger, W., &#38; Koch, R. (2011). Asymmetric saddling of single porphyrin molecules on Au(111). <i>Physical Review B</i>, <i>83</i>(16). <a href=\"https://doi.org/10.1103/physrevb.83.165416\">https://doi.org/10.1103/physrevb.83.165416</a>","ieee":"S. Müllegger <i>et al.</i>, “Asymmetric saddling of single porphyrin molecules on Au(111),” <i>Physical Review B</i>, vol. 83, no. 16, 2011, doi: <a href=\"https://doi.org/10.1103/physrevb.83.165416\">10.1103/physrevb.83.165416</a>.","chicago":"Müllegger, S., M. Rashidi, T. Lengauer, E. Rauls, Wolf Gero Schmidt, G. Knör, W. Schöfberger, and R. Koch. “Asymmetric Saddling of Single Porphyrin Molecules on Au(111).” <i>Physical Review B</i> 83, no. 16 (2011). <a href=\"https://doi.org/10.1103/physrevb.83.165416\">https://doi.org/10.1103/physrevb.83.165416</a>.","short":"S. Müllegger, M. Rashidi, T. Lengauer, E. Rauls, W.G. Schmidt, G. Knör, W. Schöfberger, R. Koch, Physical Review B 83 (2011).","mla":"Müllegger, S., et al. “Asymmetric Saddling of Single Porphyrin Molecules on Au(111).” <i>Physical Review B</i>, vol. 83, no. 16, 2011, doi:<a href=\"https://doi.org/10.1103/physrevb.83.165416\">10.1103/physrevb.83.165416</a>.","ama":"Müllegger S, Rashidi M, Lengauer T, et al. Asymmetric saddling of single porphyrin molecules on Au(111). <i>Physical Review B</i>. 2011;83(16). doi:<a href=\"https://doi.org/10.1103/physrevb.83.165416\">10.1103/physrevb.83.165416</a>","bibtex":"@article{Müllegger_Rashidi_Lengauer_Rauls_Schmidt_Knör_Schöfberger_Koch_2011, title={Asymmetric saddling of single porphyrin molecules on Au(111)}, volume={83}, DOI={<a href=\"https://doi.org/10.1103/physrevb.83.165416\">10.1103/physrevb.83.165416</a>}, number={16}, journal={Physical Review B}, author={Müllegger, S. and Rashidi, M. and Lengauer, T. and Rauls, E. and Schmidt, Wolf Gero and Knör, G. and Schöfberger, W. and Koch, R.}, year={2011} }"},"type":"journal_article","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"27"}],"date_created":"2019-10-01T09:15:39Z","date_updated":"2025-12-05T10:40:33Z","publication_status":"published","intvolume":"        83","status":"public","year":"2011","title":"Asymmetric saddling of single porphyrin molecules on Au(111)","author":[{"first_name":"S.","last_name":"Müllegger","full_name":"Müllegger, S."},{"first_name":"M.","last_name":"Rashidi","full_name":"Rashidi, M."},{"full_name":"Lengauer, T.","first_name":"T.","last_name":"Lengauer"},{"last_name":"Rauls","first_name":"E.","full_name":"Rauls, E."},{"id":"468","orcid":"0000-0002-2717-5076","first_name":"Wolf Gero","last_name":"Schmidt","full_name":"Schmidt, Wolf Gero"},{"full_name":"Knör, G.","last_name":"Knör","first_name":"G."},{"last_name":"Schöfberger","first_name":"W.","full_name":"Schöfberger, W."},{"full_name":"Koch, R.","first_name":"R.","last_name":"Koch"}],"publication_identifier":{"issn":["1098-0121","1550-235X"]},"doi":"10.1103/physrevb.83.165416","user_id":"16199","volume":83,"language":[{"iso":"eng"}],"_id":"13570"},{"author":[{"full_name":"Konopka, A.","last_name":"Konopka","first_name":"A."},{"full_name":"Greulich-Weber, S.","last_name":"Greulich-Weber","first_name":"S."},{"last_name":"Dierolf","first_name":"V.","full_name":"Dierolf, V."},{"first_name":"H.X.","last_name":"Jiang","full_name":"Jiang, H.X."},{"full_name":"Gerstmann, Uwe","first_name":"Uwe","last_name":"Gerstmann","orcid":"0000-0002-4476-223X","id":"171"},{"first_name":"E.","last_name":"Rauls","full_name":"Rauls, E."},{"first_name":"S.","last_name":"Sanna","full_name":"Sanna, S."},{"id":"468","first_name":"Wolf Gero","orcid":"0000-0002-2717-5076","last_name":"Schmidt","full_name":"Schmidt, Wolf Gero"}],"publication_identifier":{"issn":["0925-3467"]},"status":"public","year":"2011","title":"Microscopic structure and energy transfer of vacancy-related defect pairs with Erbium in wide-gap semiconductors","intvolume":"        33","date_updated":"2025-12-05T10:41:44Z","publication_status":"published","_id":"13567","language":[{"iso":"eng"}],"page":"1041-1044","volume":33,"doi":"10.1016/j.optmat.2010.12.005","user_id":"16199","citation":{"short":"A. Konopka, S. Greulich-Weber, V. Dierolf, H.X. Jiang, U. Gerstmann, E. Rauls, S. Sanna, W.G. Schmidt, Optical Materials 33 (2011) 1041–1044.","chicago":"Konopka, A., S. Greulich-Weber, V. Dierolf, H.X. Jiang, Uwe Gerstmann, E. Rauls, S. Sanna, and Wolf Gero Schmidt. “Microscopic Structure and Energy Transfer of Vacancy-Related Defect Pairs with Erbium in Wide-Gap Semiconductors.” <i>Optical Materials</i> 33 (2011): 1041–44. <a href=\"https://doi.org/10.1016/j.optmat.2010.12.005\">https://doi.org/10.1016/j.optmat.2010.12.005</a>.","apa":"Konopka, A., Greulich-Weber, S., Dierolf, V., Jiang, H. X., Gerstmann, U., Rauls, E., Sanna, S., &#38; Schmidt, W. G. (2011). Microscopic structure and energy transfer of vacancy-related defect pairs with Erbium in wide-gap semiconductors. <i>Optical Materials</i>, <i>33</i>, 1041–1044. <a href=\"https://doi.org/10.1016/j.optmat.2010.12.005\">https://doi.org/10.1016/j.optmat.2010.12.005</a>","ieee":"A. Konopka <i>et al.</i>, “Microscopic structure and energy transfer of vacancy-related defect pairs with Erbium in wide-gap semiconductors,” <i>Optical Materials</i>, vol. 33, pp. 1041–1044, 2011, doi: <a href=\"https://doi.org/10.1016/j.optmat.2010.12.005\">10.1016/j.optmat.2010.12.005</a>.","ama":"Konopka A, Greulich-Weber S, Dierolf V, et al. Microscopic structure and energy transfer of vacancy-related defect pairs with Erbium in wide-gap semiconductors. <i>Optical Materials</i>. 2011;33:1041-1044. doi:<a href=\"https://doi.org/10.1016/j.optmat.2010.12.005\">10.1016/j.optmat.2010.12.005</a>","bibtex":"@article{Konopka_Greulich-Weber_Dierolf_Jiang_Gerstmann_Rauls_Sanna_Schmidt_2011, title={Microscopic structure and energy transfer of vacancy-related defect pairs with Erbium in wide-gap semiconductors}, volume={33}, DOI={<a href=\"https://doi.org/10.1016/j.optmat.2010.12.005\">10.1016/j.optmat.2010.12.005</a>}, journal={Optical Materials}, author={Konopka, A. and Greulich-Weber, S. and Dierolf, V. and Jiang, H.X. and Gerstmann, Uwe and Rauls, E. and Sanna, S. and Schmidt, Wolf Gero}, year={2011}, pages={1041–1044} }","mla":"Konopka, A., et al. “Microscopic Structure and Energy Transfer of Vacancy-Related Defect Pairs with Erbium in Wide-Gap Semiconductors.” <i>Optical Materials</i>, vol. 33, 2011, pp. 1041–44, doi:<a href=\"https://doi.org/10.1016/j.optmat.2010.12.005\">10.1016/j.optmat.2010.12.005</a>."},"publication":"Optical Materials","date_created":"2019-10-01T09:09:42Z","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"790"},{"_id":"35"},{"_id":"230"}],"type":"journal_article"},{"citation":{"chicago":"Thierfelder, C., M. Witte, S. Blankenburg, E. Rauls, and Wolf Gero Schmidt. “Methane Adsorption on Graphene from First Principles Including Dispersion Interaction.” <i>Surface Science</i> 605 (2011): 746–49. <a href=\"https://doi.org/10.1016/j.susc.2011.01.012\">https://doi.org/10.1016/j.susc.2011.01.012</a>.","short":"C. Thierfelder, M. Witte, S. Blankenburg, E. Rauls, W.G. Schmidt, Surface Science 605 (2011) 746–749.","ieee":"C. Thierfelder, M. Witte, S. Blankenburg, E. Rauls, and W. G. Schmidt, “Methane adsorption on graphene from first principles including dispersion interaction,” <i>Surface Science</i>, vol. 605, pp. 746–749, 2011, doi: <a href=\"https://doi.org/10.1016/j.susc.2011.01.012\">10.1016/j.susc.2011.01.012</a>.","apa":"Thierfelder, C., Witte, M., Blankenburg, S., Rauls, E., &#38; Schmidt, W. G. (2011). Methane adsorption on graphene from first principles including dispersion interaction. <i>Surface Science</i>, <i>605</i>, 746–749. <a href=\"https://doi.org/10.1016/j.susc.2011.01.012\">https://doi.org/10.1016/j.susc.2011.01.012</a>","bibtex":"@article{Thierfelder_Witte_Blankenburg_Rauls_Schmidt_2011, title={Methane adsorption on graphene from first principles including dispersion interaction}, volume={605}, DOI={<a href=\"https://doi.org/10.1016/j.susc.2011.01.012\">10.1016/j.susc.2011.01.012</a>}, journal={Surface Science}, author={Thierfelder, C. and Witte, M. and Blankenburg, S. and Rauls, E. and Schmidt, Wolf Gero}, year={2011}, pages={746–749} }","ama":"Thierfelder C, Witte M, Blankenburg S, Rauls E, Schmidt WG. Methane adsorption on graphene from first principles including dispersion interaction. <i>Surface Science</i>. 2011;605:746-749. doi:<a href=\"https://doi.org/10.1016/j.susc.2011.01.012\">10.1016/j.susc.2011.01.012</a>","mla":"Thierfelder, C., et al. “Methane Adsorption on Graphene from First Principles Including Dispersion Interaction.” <i>Surface Science</i>, vol. 605, 2011, pp. 746–49, doi:<a href=\"https://doi.org/10.1016/j.susc.2011.01.012\">10.1016/j.susc.2011.01.012</a>."},"publication":"Surface Science","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"date_created":"2019-10-01T09:16:56Z","department":[{"_id":"15"},{"_id":"295"},{"_id":"170"},{"_id":"35"},{"_id":"230"},{"_id":"27"}],"type":"journal_article","author":[{"first_name":"C.","last_name":"Thierfelder","full_name":"Thierfelder, C."},{"full_name":"Witte, M.","first_name":"M.","last_name":"Witte"},{"full_name":"Blankenburg, S.","first_name":"S.","last_name":"Blankenburg"},{"full_name":"Rauls, E.","last_name":"Rauls","first_name":"E."},{"full_name":"Schmidt, Wolf Gero","last_name":"Schmidt","first_name":"Wolf Gero","orcid":"0000-0002-2717-5076","id":"468"}],"publication_identifier":{"issn":["0039-6028"]},"title":"Methane adsorption on graphene from first principles including dispersion interaction","status":"public","year":"2011","intvolume":"       605","publication_status":"published","date_updated":"2025-12-05T10:40:12Z","language":[{"iso":"eng"}],"_id":"13571","page":"746-749","volume":605,"user_id":"16199","doi":"10.1016/j.susc.2011.01.012"},{"doi":"10.1016/j.susc.2011.01.027","user_id":"16199","volume":605,"page":"824-830","_id":"13569","language":[{"iso":"eng"}],"date_updated":"2025-12-05T10:40:51Z","publication_status":"published","intvolume":"       605","title":"Driving forces for the adsorption of cyclopentene on InP(001)","status":"public","year":"2011","author":[{"full_name":"Favero, P.P.","last_name":"Favero","first_name":"P.P."},{"first_name":"A.C.","last_name":"Ferraz","full_name":"Ferraz, A.C."},{"full_name":"Schmidt, Wolf Gero","orcid":"0000-0002-2717-5076","first_name":"Wolf Gero","last_name":"Schmidt","id":"468"},{"first_name":"R.","last_name":"Miotto","full_name":"Miotto, R."}],"publication_identifier":{"issn":["0039-6028"]},"type":"journal_article","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"}],"date_created":"2019-10-01T09:14:22Z","publication":"Surface Science","citation":{"mla":"Favero, P. P., et al. “Driving Forces for the Adsorption of Cyclopentene on InP(001).” <i>Surface Science</i>, vol. 605, 2011, pp. 824–30, doi:<a href=\"https://doi.org/10.1016/j.susc.2011.01.027\">10.1016/j.susc.2011.01.027</a>.","ama":"Favero PP, Ferraz AC, Schmidt WG, Miotto R. Driving forces for the adsorption of cyclopentene on InP(001). <i>Surface Science</i>. 2011;605:824-830. doi:<a href=\"https://doi.org/10.1016/j.susc.2011.01.027\">10.1016/j.susc.2011.01.027</a>","bibtex":"@article{Favero_Ferraz_Schmidt_Miotto_2011, title={Driving forces for the adsorption of cyclopentene on InP(001)}, volume={605}, DOI={<a href=\"https://doi.org/10.1016/j.susc.2011.01.027\">10.1016/j.susc.2011.01.027</a>}, journal={Surface Science}, author={Favero, P.P. and Ferraz, A.C. and Schmidt, Wolf Gero and Miotto, R.}, year={2011}, pages={824–830} }","apa":"Favero, P. P., Ferraz, A. C., Schmidt, W. G., &#38; Miotto, R. (2011). Driving forces for the adsorption of cyclopentene on InP(001). <i>Surface Science</i>, <i>605</i>, 824–830. <a href=\"https://doi.org/10.1016/j.susc.2011.01.027\">https://doi.org/10.1016/j.susc.2011.01.027</a>","ieee":"P. P. Favero, A. C. Ferraz, W. G. Schmidt, and R. Miotto, “Driving forces for the adsorption of cyclopentene on InP(001),” <i>Surface Science</i>, vol. 605, pp. 824–830, 2011, doi: <a href=\"https://doi.org/10.1016/j.susc.2011.01.027\">10.1016/j.susc.2011.01.027</a>.","chicago":"Favero, P.P., A.C. Ferraz, Wolf Gero Schmidt, and R. Miotto. “Driving Forces for the Adsorption of Cyclopentene on InP(001).” <i>Surface Science</i> 605 (2011): 824–30. <a href=\"https://doi.org/10.1016/j.susc.2011.01.027\">https://doi.org/10.1016/j.susc.2011.01.027</a>.","short":"P.P. Favero, A.C. Ferraz, W.G. Schmidt, R. Miotto, Surface Science 605 (2011) 824–830."}},{"intvolume":"        84","publication_status":"published","date_updated":"2025-12-05T10:43:19Z","publication_identifier":{"issn":["1098-0121","1550-235X"]},"author":[{"id":"468","first_name":"Wolf Gero","orcid":"0000-0002-2717-5076","last_name":"Schmidt","full_name":"Schmidt, Wolf Gero"},{"last_name":"Babilon","first_name":"M.","full_name":"Babilon, M."},{"last_name":"Thierfelder","first_name":"C.","full_name":"Thierfelder, C."},{"full_name":"Sanna, S.","last_name":"Sanna","first_name":"S."},{"last_name":"Wippermann","first_name":"S.","full_name":"Wippermann, S."}],"title":"Influence of Na adsorption on the quantum conductance and metal-insulator transition of the In-Si(111)(4×1)–(8×2) nanowire array","status":"public","year":"2011","volume":84,"user_id":"16199","doi":"10.1103/physrevb.84.115416","language":[{"iso":"eng"}],"_id":"13563","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"citation":{"mla":"Schmidt, Wolf Gero, et al. “Influence of Na Adsorption on the Quantum Conductance and Metal-Insulator Transition of the In-Si(111)(4×1)–(8×2) Nanowire Array.” <i>Physical Review B</i>, vol. 84, no. 11, 2011, doi:<a href=\"https://doi.org/10.1103/physrevb.84.115416\">10.1103/physrevb.84.115416</a>.","ama":"Schmidt WG, Babilon M, Thierfelder C, Sanna S, Wippermann S. Influence of Na adsorption on the quantum conductance and metal-insulator transition of the In-Si(111)(4×1)–(8×2) nanowire array. <i>Physical Review B</i>. 2011;84(11). doi:<a href=\"https://doi.org/10.1103/physrevb.84.115416\">10.1103/physrevb.84.115416</a>","bibtex":"@article{Schmidt_Babilon_Thierfelder_Sanna_Wippermann_2011, title={Influence of Na adsorption on the quantum conductance and metal-insulator transition of the In-Si(111)(4×1)–(8×2) nanowire array}, volume={84}, DOI={<a href=\"https://doi.org/10.1103/physrevb.84.115416\">10.1103/physrevb.84.115416</a>}, number={11}, journal={Physical Review B}, author={Schmidt, Wolf Gero and Babilon, M. and Thierfelder, C. and Sanna, S. and Wippermann, S.}, year={2011} }","apa":"Schmidt, W. G., Babilon, M., Thierfelder, C., Sanna, S., &#38; Wippermann, S. (2011). Influence of Na adsorption on the quantum conductance and metal-insulator transition of the In-Si(111)(4×1)–(8×2) nanowire array. <i>Physical Review B</i>, <i>84</i>(11). <a href=\"https://doi.org/10.1103/physrevb.84.115416\">https://doi.org/10.1103/physrevb.84.115416</a>","ieee":"W. G. Schmidt, M. Babilon, C. Thierfelder, S. Sanna, and S. Wippermann, “Influence of Na adsorption on the quantum conductance and metal-insulator transition of the In-Si(111)(4×1)–(8×2) nanowire array,” <i>Physical Review B</i>, vol. 84, no. 11, 2011, doi: <a href=\"https://doi.org/10.1103/physrevb.84.115416\">10.1103/physrevb.84.115416</a>.","chicago":"Schmidt, Wolf Gero, M. Babilon, C. Thierfelder, S. Sanna, and S. Wippermann. “Influence of Na Adsorption on the Quantum Conductance and Metal-Insulator Transition of the In-Si(111)(4×1)–(8×2) Nanowire Array.” <i>Physical Review B</i> 84, no. 11 (2011). <a href=\"https://doi.org/10.1103/physrevb.84.115416\">https://doi.org/10.1103/physrevb.84.115416</a>.","short":"W.G. Schmidt, M. Babilon, C. Thierfelder, S. Sanna, S. Wippermann, Physical Review B 84 (2011)."},"publication":"Physical Review B","issue":"11","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"27"}],"type":"journal_article","date_created":"2019-10-01T09:01:58Z"},{"volume":420,"doi":"10.1080/00150193.2011.594774","user_id":"16199","_id":"13561","funded_apc":"1","language":[{"iso":"eng"}],"page":"44-48","intvolume":"       420","date_updated":"2025-12-05T10:43:51Z","publication_status":"published","author":[{"id":"53","full_name":"Berth, Gerhard","first_name":"Gerhard","last_name":"Berth"},{"full_name":"Hahn, Wjatscheslaw","first_name":"Wjatscheslaw","last_name":"Hahn"},{"last_name":"Wiedemeier","first_name":"Volker","full_name":"Wiedemeier, Volker"},{"first_name":"Artur","last_name":"Zrenner","orcid":"0000-0002-5190-0944","full_name":"Zrenner, Artur","id":"606"},{"full_name":"Sanna, Simone","last_name":"Sanna","first_name":"Simone"},{"id":"468","orcid":"0000-0002-2717-5076","first_name":"Wolf Gero","last_name":"Schmidt","full_name":"Schmidt, Wolf Gero"}],"publication_identifier":{"issn":["0015-0193","1563-5112"]},"year":"2011","status":"public","title":"Imaging of the Ferroelectric Domain Structures by Confocal Raman Spectroscopy","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"290"},{"_id":"35"},{"_id":"230"}],"type":"journal_article","date_created":"2019-10-01T08:48:15Z","citation":{"apa":"Berth, G., Hahn, W., Wiedemeier, V., Zrenner, A., Sanna, S., &#38; Schmidt, W. G. (2011). Imaging of the Ferroelectric Domain Structures by Confocal Raman Spectroscopy. <i>Ferroelectrics</i>, <i>420</i>, 44–48. <a href=\"https://doi.org/10.1080/00150193.2011.594774\">https://doi.org/10.1080/00150193.2011.594774</a>","ieee":"G. Berth, W. Hahn, V. Wiedemeier, A. Zrenner, S. Sanna, and W. G. Schmidt, “Imaging of the Ferroelectric Domain Structures by Confocal Raman Spectroscopy,” <i>Ferroelectrics</i>, vol. 420, pp. 44–48, 2011, doi: <a href=\"https://doi.org/10.1080/00150193.2011.594774\">10.1080/00150193.2011.594774</a>.","chicago":"Berth, Gerhard, Wjatscheslaw Hahn, Volker Wiedemeier, Artur Zrenner, Simone Sanna, and Wolf Gero Schmidt. “Imaging of the Ferroelectric Domain Structures by Confocal Raman Spectroscopy.” <i>Ferroelectrics</i> 420 (2011): 44–48. <a href=\"https://doi.org/10.1080/00150193.2011.594774\">https://doi.org/10.1080/00150193.2011.594774</a>.","short":"G. Berth, W. Hahn, V. Wiedemeier, A. Zrenner, S. Sanna, W.G. Schmidt, Ferroelectrics 420 (2011) 44–48.","mla":"Berth, Gerhard, et al. “Imaging of the Ferroelectric Domain Structures by Confocal Raman Spectroscopy.” <i>Ferroelectrics</i>, vol. 420, 2011, pp. 44–48, doi:<a href=\"https://doi.org/10.1080/00150193.2011.594774\">10.1080/00150193.2011.594774</a>.","ama":"Berth G, Hahn W, Wiedemeier V, Zrenner A, Sanna S, Schmidt WG. Imaging of the Ferroelectric Domain Structures by Confocal Raman Spectroscopy. <i>Ferroelectrics</i>. 2011;420:44-48. doi:<a href=\"https://doi.org/10.1080/00150193.2011.594774\">10.1080/00150193.2011.594774</a>","bibtex":"@article{Berth_Hahn_Wiedemeier_Zrenner_Sanna_Schmidt_2011, title={Imaging of the Ferroelectric Domain Structures by Confocal Raman Spectroscopy}, volume={420}, DOI={<a href=\"https://doi.org/10.1080/00150193.2011.594774\">10.1080/00150193.2011.594774</a>}, journal={Ferroelectrics}, author={Berth, Gerhard and Hahn, Wjatscheslaw and Wiedemeier, Volker and Zrenner, Artur and Sanna, Simone and Schmidt, Wolf Gero}, year={2011}, pages={44–48} }"},"publication":"Ferroelectrics"},{"_id":"13564","language":[{"iso":"eng"}],"user_id":"16199","doi":"10.1103/physrevb.84.115201","volume":84,"status":"public","year":"2011","title":"Group-VII point defects in ZnSe","publication_identifier":{"issn":["1098-0121","1550-235X"]},"author":[{"full_name":"dos Santos, L. S.","first_name":"L. S.","last_name":"dos Santos"},{"full_name":"Schmidt, Wolf Gero","first_name":"Wolf Gero","last_name":"Schmidt","orcid":"0000-0002-2717-5076","id":"468"},{"full_name":"Rauls, E.","last_name":"Rauls","first_name":"E."}],"publication_status":"published","date_updated":"2025-12-05T10:42:56Z","intvolume":"        84","date_created":"2019-10-01T09:03:18Z","type":"journal_article","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"27"}],"publication":"Physical Review B","issue":"11","citation":{"ama":"dos Santos LS, Schmidt WG, Rauls E. Group-VII point defects in ZnSe. <i>Physical Review B</i>. 2011;84(11). doi:<a href=\"https://doi.org/10.1103/physrevb.84.115201\">10.1103/physrevb.84.115201</a>","bibtex":"@article{dos Santos_Schmidt_Rauls_2011, title={Group-VII point defects in ZnSe}, volume={84}, DOI={<a href=\"https://doi.org/10.1103/physrevb.84.115201\">10.1103/physrevb.84.115201</a>}, number={11}, journal={Physical Review B}, author={dos Santos, L. S. and Schmidt, Wolf Gero and Rauls, E.}, year={2011} }","mla":"dos Santos, L. S., et al. “Group-VII Point Defects in ZnSe.” <i>Physical Review B</i>, vol. 84, no. 11, 2011, doi:<a href=\"https://doi.org/10.1103/physrevb.84.115201\">10.1103/physrevb.84.115201</a>.","chicago":"Santos, L. S. dos, Wolf Gero Schmidt, and E. Rauls. “Group-VII Point Defects in ZnSe.” <i>Physical Review B</i> 84, no. 11 (2011). <a href=\"https://doi.org/10.1103/physrevb.84.115201\">https://doi.org/10.1103/physrevb.84.115201</a>.","short":"L.S. dos Santos, W.G. Schmidt, E. Rauls, Physical Review B 84 (2011).","apa":"dos Santos, L. S., Schmidt, W. G., &#38; Rauls, E. (2011). Group-VII point defects in ZnSe. <i>Physical Review B</i>, <i>84</i>(11). <a href=\"https://doi.org/10.1103/physrevb.84.115201\">https://doi.org/10.1103/physrevb.84.115201</a>","ieee":"L. S. dos Santos, W. G. Schmidt, and E. Rauls, “Group-VII point defects in ZnSe,” <i>Physical Review B</i>, vol. 84, no. 11, 2011, doi: <a href=\"https://doi.org/10.1103/physrevb.84.115201\">10.1103/physrevb.84.115201</a>."},"project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}]},{"status":"public","_id":"13825","funded_apc":"1","user_id":"16199","volume":83,"citation":{"mla":"Sanna, S., et al. “Barium Titanate Ground- and Excited-State Properties from First-Principles Calculations.” <i>Physical Review B</i>, vol. 83, no. 5, 2011, doi:<a href=\"https://doi.org/10.1103/physrevb.83.054112\">10.1103/physrevb.83.054112</a>.","ama":"Sanna S, Thierfelder C, Wippermann S, Sinha TP, Schmidt WG. Barium titanate ground- and excited-state properties from first-principles calculations. <i>Physical Review B</i>. 2011;83(5). doi:<a href=\"https://doi.org/10.1103/physrevb.83.054112\">10.1103/physrevb.83.054112</a>","bibtex":"@article{Sanna_Thierfelder_Wippermann_Sinha_Schmidt_2011, title={Barium titanate ground- and excited-state properties from first-principles calculations}, volume={83}, DOI={<a href=\"https://doi.org/10.1103/physrevb.83.054112\">10.1103/physrevb.83.054112</a>}, number={5}, journal={Physical Review B}, author={Sanna, S. and Thierfelder, C. and Wippermann, S. and Sinha, T. P. and Schmidt, Wolf Gero}, year={2011} }","apa":"Sanna, S., Thierfelder, C., Wippermann, S., Sinha, T. P., &#38; Schmidt, W. G. (2011). Barium titanate ground- and excited-state properties from first-principles calculations. <i>Physical Review B</i>, <i>83</i>(5). <a href=\"https://doi.org/10.1103/physrevb.83.054112\">https://doi.org/10.1103/physrevb.83.054112</a>","ieee":"S. Sanna, C. Thierfelder, S. Wippermann, T. P. Sinha, and W. G. Schmidt, “Barium titanate ground- and excited-state properties from first-principles calculations,” <i>Physical Review B</i>, vol. 83, no. 5, 2011, doi: <a href=\"https://doi.org/10.1103/physrevb.83.054112\">10.1103/physrevb.83.054112</a>.","chicago":"Sanna, S., C. Thierfelder, S. Wippermann, T. P. Sinha, and Wolf Gero Schmidt. “Barium Titanate Ground- and Excited-State Properties from First-Principles Calculations.” <i>Physical Review B</i> 83, no. 5 (2011). <a href=\"https://doi.org/10.1103/physrevb.83.054112\">https://doi.org/10.1103/physrevb.83.054112</a>.","short":"S. Sanna, C. Thierfelder, S. Wippermann, T.P. Sinha, W.G. Schmidt, Physical Review B 83 (2011)."},"project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"title":"Barium titanate ground- and excited-state properties from first-principles calculations","year":"2011","publication_identifier":{"issn":["1098-0121","1550-235X"]},"author":[{"last_name":"Sanna","first_name":"S.","full_name":"Sanna, S."},{"full_name":"Thierfelder, C.","first_name":"C.","last_name":"Thierfelder"},{"first_name":"S.","last_name":"Wippermann","full_name":"Wippermann, S."},{"first_name":"T. P.","last_name":"Sinha","full_name":"Sinha, T. P."},{"full_name":"Schmidt, Wolf Gero","first_name":"Wolf Gero","orcid":"0000-0002-2717-5076","last_name":"Schmidt","id":"468"}],"publication_status":"published","date_updated":"2025-12-16T07:41:16Z","intvolume":"        83","language":[{"iso":"eng"}],"doi":"10.1103/physrevb.83.054112","publication":"Physical Review B","issue":"5","date_created":"2019-10-15T07:20:17Z","type":"journal_article","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"27"}]}]