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Interplay between metal-free phthalocyanine molecules and Au(110) substrates. <i>Surface Science</i>. 2012;606:1120-1125. doi:<a href=\"https://doi.org/10.1016/j.susc.2012.03.010\">10.1016/j.susc.2012.03.010</a>","bibtex":"@article{Rauls_Schmidt_Pertram_Wandelt_2012, title={Interplay between metal-free phthalocyanine molecules and Au(110) substrates}, volume={606}, DOI={<a href=\"https://doi.org/10.1016/j.susc.2012.03.010\">10.1016/j.susc.2012.03.010</a>}, journal={Surface Science}, author={Rauls, E. and Schmidt, Wolf Gero and Pertram, T. and Wandelt, K.}, year={2012}, pages={1120–1125} }","apa":"Rauls, E., Schmidt, W. G., Pertram, T., &#38; Wandelt, K. (2012). Interplay between metal-free phthalocyanine molecules and Au(110) substrates. <i>Surface Science</i>, <i>606</i>, 1120–1125. <a href=\"https://doi.org/10.1016/j.susc.2012.03.010\">https://doi.org/10.1016/j.susc.2012.03.010</a>","ieee":"E. Rauls, W. G. Schmidt, T. Pertram, and K. 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Schmidt, “Adsorption of OH and H at the LiNbO3(0001) surface,” <i>physica status solidi (c)</i>, vol. 9, no. 6, pp. 1361–1365, 2012, doi: <a href=\"https://doi.org/10.1002/pssc.201100534\">10.1002/pssc.201100534</a>."},"project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"author":[{"first_name":"R.","last_name":"Hölscher","full_name":"Hölscher, R."},{"full_name":"Sanna, S.","last_name":"Sanna","first_name":"S."},{"last_name":"Schmidt","first_name":"Wolf Gero","orcid":"0000-0002-2717-5076","full_name":"Schmidt, Wolf Gero","id":"468"}],"publication_identifier":{"issn":["1862-6351"]},"year":"2012","title":"Adsorption of OH and H at the LiNbO3(0001) surface","intvolume":"         9","publication_status":"published","date_updated":"2025-12-05T10:44:11Z","language":[{"iso":"eng"}],"doi":"10.1002/pssc.201100534","issue":"6","publication":"physica status solidi (c)","date_created":"2019-10-01T08:46:37Z","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"27"}],"type":"journal_article"},{"publication":"Physical Review B","issue":"7","citation":{"ama":"Rode S, Hölscher R, Sanna S, et al. 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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>."},"project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"date_created":"2019-09-30T14:41:52Z","type":"journal_article","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"27"}],"title":"Atomic-resolution imaging of the polar (0001¯) surface of LiNbO3in aqueous solution by frequency modulation atomic force microscopy","year":"2012","status":"public","publication_identifier":{"issn":["1098-0121","1550-235X"]},"author":[{"first_name":"S.","last_name":"Rode","full_name":"Rode, S."},{"first_name":"R.","last_name":"Hölscher","full_name":"Hölscher, R."},{"full_name":"Sanna, S.","first_name":"S.","last_name":"Sanna"},{"full_name":"Klassen, S.","first_name":"S.","last_name":"Klassen"},{"full_name":"Kobayashi, K.","last_name":"Kobayashi","first_name":"K."},{"first_name":"H.","last_name":"Yamada","full_name":"Yamada, H."},{"id":"468","orcid":"0000-0002-2717-5076","first_name":"Wolf Gero","last_name":"Schmidt","full_name":"Schmidt, Wolf Gero"},{"full_name":"Kühnle, A.","first_name":"A.","last_name":"Kühnle"}],"publication_status":"published","date_updated":"2025-12-05T10:46:56Z","intvolume":"        86","language":[{"iso":"eng"}],"_id":"13539","user_id":"16199","doi":"10.1103/physrevb.86.075468","volume":86},{"intvolume":"       109","date_updated":"2025-12-05T10:48:24Z","publication_status":"published","author":[{"first_name":"Simone","last_name":"Wall","full_name":"Wall, Simone"},{"first_name":"Boris","last_name":"Krenzer","full_name":"Krenzer, Boris"},{"full_name":"Wippermann, Stefan","last_name":"Wippermann","first_name":"Stefan"},{"full_name":"Sanna, Simone","first_name":"Simone","last_name":"Sanna"},{"first_name":"Friedrich","last_name":"Klasing","full_name":"Klasing, Friedrich"},{"last_name":"Hanisch-Blicharski","first_name":"Anja","full_name":"Hanisch-Blicharski, Anja"},{"first_name":"Martin","last_name":"Kammler","full_name":"Kammler, Martin"},{"full_name":"Schmidt, Wolf Gero","first_name":"Wolf Gero","last_name":"Schmidt","orcid":"0000-0002-2717-5076","id":"468"},{"last_name":"Horn-von Hoegen","first_name":"Michael","full_name":"Horn-von Hoegen, Michael"}],"publication_identifier":{"issn":["0031-9007","1079-7114"]},"status":"public","title":"Atomistic Picture of Charge Density Wave Formation at Surfaces","year":"2012","volume":109,"doi":"10.1103/physrevlett.109.186101","user_id":"16199","_id":"13534","language":[{"iso":"eng"}],"project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"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. 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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. 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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>","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} }","ama":"Riefer A, Sanna S, Gavrilenko AV, Schmidt WG. 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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>","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} }","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>","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>."},"publication":"The Journal of Physical Chemistry C","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"date_created":"2019-09-30T14:24:41Z","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"27"}],"type":"journal_article","author":[{"full_name":"Schmidt, Christian","last_name":"Schmidt","first_name":"Christian"},{"last_name":"Breuer","first_name":"Tobias","full_name":"Breuer, Tobias"},{"last_name":"Wippermann","first_name":"Stefan","full_name":"Wippermann, Stefan"},{"first_name":"Wolf Gero","last_name":"Schmidt","orcid":"0000-0002-2717-5076","full_name":"Schmidt, Wolf Gero","id":"468"},{"full_name":"Witte, Gregor","last_name":"Witte","first_name":"Gregor"}],"publication_identifier":{"issn":["1932-7447","1932-7455"]},"title":"Substrate Induced Thermal Decomposition of Perfluoro-Pentacene Thin Films on the Coinage Metals","year":"2012","status":"public","intvolume":"       116","date_updated":"2025-12-05T10:48:55Z","publication_status":"published","language":[{"iso":"eng"}],"_id":"13531","page":"24098-24106","volume":116,"doi":"10.1021/jp307316r","user_id":"16199"},{"publication":"IEEE Transactions on Ultrasonics, Ferroelectrics and Frequency Control","issue":"9","date_created":"2019-09-30T14:32:33Z","type":"journal_article","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"27"}],"title":"Ferroelectric phase transition in LiNbO3: Insights from molecular dynamics","year":"2012","author":[{"last_name":"Sanna","first_name":"S.","full_name":"Sanna, S."},{"id":"468","full_name":"Schmidt, Wolf Gero","orcid":"0000-0002-2717-5076","first_name":"Wolf Gero","last_name":"Schmidt"}],"publication_identifier":{"issn":["0885-3010"]},"publication_status":"published","date_updated":"2025-12-05T10:47:57Z","intvolume":"        59","language":[{"iso":"eng"}],"doi":"10.1109/tuffc.2012.2408","citation":{"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>.","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>","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>.","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>","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} }","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>."},"project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"status":"public","page":"1925-1928","_id":"13535","user_id":"16199","volume":59},{"citation":{"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>.","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} }","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>","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>.","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>","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>."},"publication":"Physical Review B","issue":"12","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"date_created":"2019-09-30T14:40:30Z","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"27"}],"type":"journal_article","author":[{"full_name":"Riefer, A.","first_name":"A.","last_name":"Riefer"},{"last_name":"Sanna","first_name":"S.","full_name":"Sanna, S."},{"id":"468","full_name":"Schmidt, Wolf Gero","orcid":"0000-0002-2717-5076","first_name":"Wolf Gero","last_name":"Schmidt"}],"publication_identifier":{"issn":["1098-0121","1550-235X"]},"title":"Polarization-dependent methanol adsorption on lithium niobate Z-cut surfaces","status":"public","year":"2012","intvolume":"        86","publication_status":"published","date_updated":"2025-12-05T10:47:16Z","_id":"13538","language":[{"iso":"eng"}],"volume":86,"user_id":"16199","doi":"10.1103/physrevb.86.125410"},{"citation":{"bibtex":"@article{Denis_Schumacher_Galbraith_2012, title={Quantitative description of interactions between linear organic chromophores}, volume={137}, DOI={<a href=\"https://doi.org/10.1063/1.4768244\">10.1063/1.4768244</a>}, number={22224102}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Denis, Jean-Christophe and Schumacher, Stefan and Galbraith, Ian}, year={2012} }","ama":"Denis J-C, Schumacher S, Galbraith I. Quantitative description of interactions between linear organic chromophores. <i>The Journal of Chemical Physics</i>. 2012;137(22). doi:<a href=\"https://doi.org/10.1063/1.4768244\">10.1063/1.4768244</a>","mla":"Denis, Jean-Christophe, et al. “Quantitative Description of Interactions between Linear Organic Chromophores.” <i>The Journal of Chemical Physics</i>, vol. 137, no. 22, 224102, AIP Publishing, 2012, doi:<a href=\"https://doi.org/10.1063/1.4768244\">10.1063/1.4768244</a>.","short":"J.-C. Denis, S. Schumacher, I. Galbraith, The Journal of Chemical Physics 137 (2012).","chicago":"Denis, Jean-Christophe, Stefan Schumacher, and Ian Galbraith. “Quantitative Description of Interactions between Linear Organic Chromophores.” <i>The Journal of Chemical Physics</i> 137, no. 22 (2012). <a href=\"https://doi.org/10.1063/1.4768244\">https://doi.org/10.1063/1.4768244</a>.","ieee":"J.-C. Denis, S. Schumacher, and I. Galbraith, “Quantitative description of interactions between linear organic chromophores,” <i>The Journal of Chemical Physics</i>, vol. 137, no. 22, Art. no. 224102, 2012, doi: <a href=\"https://doi.org/10.1063/1.4768244\">10.1063/1.4768244</a>.","apa":"Denis, J.-C., Schumacher, S., &#38; Galbraith, I. (2012). Quantitative description of interactions between linear organic chromophores. <i>The Journal of Chemical Physics</i>, <i>137</i>(22), Article 224102. <a href=\"https://doi.org/10.1063/1.4768244\">https://doi.org/10.1063/1.4768244</a>"},"publisher":"AIP Publishing","_id":"62927","volume":137,"user_id":"16199","status":"public","date_created":"2025-12-05T14:58:30Z","department":[{"_id":"15"},{"_id":"170"},{"_id":"297"},{"_id":"35"},{"_id":"230"}],"type":"journal_article","publication":"The Journal of Chemical Physics","issue":"22","abstract":[{"lang":"eng","text":"<jats:p>To model intermolecular excitation transfer between organic chromophores in the framework of Förster theory, the interaction matrix element is needed for all relative orientations and separations of chromophores. Simulations of extended multi-chromophoric systems thus require a fast but reliable approximation scheme to calculate these dipole interactions. By means of a comparative study of the dipole approximation with quantum chemistry, we demonstrate that the usual line-dipole theory, while suitable for short molecules, breaks down for longer molecules with inter-molecular separations similar to or smaller than the length of the interacting chromophores; a limit that is typically found in conjugated polymer thin films. As a remedy, we propose an improved way of distributing the sub-dipole moments within a line which provides results in very good agreement with the quantum chemistry, and is still simple enough to be used in large scale simulations.</jats:p>"}],"language":[{"iso":"eng"}],"article_number":"224102","doi":"10.1063/1.4768244","author":[{"full_name":"Denis, Jean-Christophe","last_name":"Denis","first_name":"Jean-Christophe"},{"full_name":"Schumacher, Stefan","first_name":"Stefan","orcid":"0000-0003-4042-4951","last_name":"Schumacher","id":"27271"},{"first_name":"Ian","last_name":"Galbraith","full_name":"Galbraith, Ian"}],"publication_identifier":{"issn":["0021-9606","1089-7690"]},"year":"2012","title":"Quantitative description of interactions between linear organic chromophores","intvolume":"       137","publication_status":"published","date_updated":"2025-12-05T14:59:12Z"},{"user_id":"16199","doi":"10.1021/jp3084869","page":"4454-4460","language":[{"iso":"eng"}],"_id":"15869","publication_status":"published","date_updated":"2025-12-05T14:56:05Z","status":"public","year":"2012","title":"Spectral Signatures of Polarons in Conjugated Co-polymers","publication_identifier":{"issn":["1520-6106","1520-5207"]},"author":[{"last_name":"Wiebeler","first_name":"Christian","full_name":"Wiebeler, Christian"},{"full_name":"Tautz, Raphael","first_name":"Raphael","last_name":"Tautz"},{"full_name":"Feldmann, Jochen","last_name":"Feldmann","first_name":"Jochen"},{"full_name":"von Hauff, Elizabeth","first_name":"Elizabeth","last_name":"von Hauff"},{"last_name":"Da Como","first_name":"Enrico","full_name":"Da Como, Enrico"},{"full_name":"Schumacher, Stefan","last_name":"Schumacher","first_name":"Stefan","orcid":"0000-0003-4042-4951","id":"27271"}],"type":"journal_article","department":[{"_id":"15"},{"_id":"170"},{"_id":"297"},{"_id":"35"},{"_id":"230"}],"date_created":"2020-02-10T12:02:58Z","project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"publication":"The Journal of Physical Chemistry B","citation":{"bibtex":"@article{Wiebeler_Tautz_Feldmann_von Hauff_Da Como_Schumacher_2012, title={Spectral Signatures of Polarons in Conjugated Co-polymers}, DOI={<a href=\"https://doi.org/10.1021/jp3084869\">10.1021/jp3084869</a>}, journal={The Journal of Physical Chemistry B}, author={Wiebeler, Christian and Tautz, Raphael and Feldmann, Jochen and von Hauff, Elizabeth and Da Como, Enrico and Schumacher, Stefan}, year={2012}, pages={4454–4460} }","ama":"Wiebeler C, Tautz R, Feldmann J, von Hauff E, Da Como E, Schumacher S. Spectral Signatures of Polarons in Conjugated Co-polymers. <i>The Journal of Physical Chemistry B</i>. Published online 2012:4454-4460. doi:<a href=\"https://doi.org/10.1021/jp3084869\">10.1021/jp3084869</a>","mla":"Wiebeler, Christian, et al. “Spectral Signatures of Polarons in Conjugated Co-Polymers.” <i>The Journal of Physical Chemistry B</i>, 2012, pp. 4454–60, doi:<a href=\"https://doi.org/10.1021/jp3084869\">10.1021/jp3084869</a>.","short":"C. Wiebeler, R. Tautz, J. Feldmann, E. von Hauff, E. Da Como, S. Schumacher, The Journal of Physical Chemistry B (2012) 4454–4460.","chicago":"Wiebeler, Christian, Raphael Tautz, Jochen Feldmann, Elizabeth von Hauff, Enrico Da Como, and Stefan Schumacher. “Spectral Signatures of Polarons in Conjugated Co-Polymers.” <i>The Journal of Physical Chemistry B</i>, 2012, 4454–60. <a href=\"https://doi.org/10.1021/jp3084869\">https://doi.org/10.1021/jp3084869</a>.","ieee":"C. Wiebeler, R. Tautz, J. Feldmann, E. von Hauff, E. Da Como, and S. Schumacher, “Spectral Signatures of Polarons in Conjugated Co-polymers,” <i>The Journal of Physical Chemistry B</i>, pp. 4454–4460, 2012, doi: <a href=\"https://doi.org/10.1021/jp3084869\">10.1021/jp3084869</a>.","apa":"Wiebeler, C., Tautz, R., Feldmann, J., von Hauff, E., Da Como, E., &#38; Schumacher, S. (2012). Spectral Signatures of Polarons in Conjugated Co-polymers. <i>The Journal of Physical Chemistry B</i>, 4454–4460. <a href=\"https://doi.org/10.1021/jp3084869\">https://doi.org/10.1021/jp3084869</a>"}},{"citation":{"chicago":"Fechner, Sabine, and Helena van Vorst. “Characteristics of Real Life Contexts and Their Influence on Student Interest in Learning Chemistry.” In <i>Ebook of the ESERA 2011 Conference. Science Learning and Citizenship (S. 135–141)</i>, edited by C. Bruguiére, A. Tiberghien , and P. Clément , 2012.","short":"S. Fechner, H. van Vorst, in: C. Bruguiére, A. Tiberghien , P. Clément  (Eds.), Ebook of the ESERA 2011 Conference. 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Science Learning and Citizenship (S. 135–141)</i>. ; 2012.","bibtex":"@inproceedings{Fechner_van Vorst_2012, title={Characteristics of real life contexts and their influence on student interest in learning chemistry}, booktitle={Ebook of the ESERA 2011 conference. Science learning and citizenship (S. 135–141)}, author={Fechner, Sabine and van Vorst, Helena}, editor={Bruguiére, C. and Tiberghien , A. and Clément , P.}, year={2012} }","mla":"Fechner, Sabine, and Helena van Vorst. “Characteristics of Real Life Contexts and Their Influence on Student Interest in Learning Chemistry.” <i>Ebook of the ESERA 2011 Conference. Science Learning and Citizenship (S. 135–141)</i>, edited by C. Bruguiére et al., 2012."},"publication":"Ebook of the ESERA 2011 conference. 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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. 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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>."},"intvolume":"       249","date_updated":"2025-12-16T07:52:26Z","publication_status":"published","author":[{"orcid":"0000-0002-2717-5076","first_name":"Wolf Gero","last_name":"Schmidt","full_name":"Schmidt, Wolf Gero","id":"468"},{"full_name":"Wippermann, S.","first_name":"S.","last_name":"Wippermann"},{"first_name":"S.","last_name":"Sanna","full_name":"Sanna, S."},{"full_name":"Babilon, M.","first_name":"M.","last_name":"Babilon"},{"full_name":"Vollmers, N. J.","last_name":"Vollmers","first_name":"N. J."},{"full_name":"Gerstmann, Uwe","last_name":"Gerstmann","first_name":"Uwe","orcid":"0000-0002-4476-223X","id":"171"}],"publication_identifier":{"issn":["0370-1972"]},"title":"In-Si(111)(4 × 1)/(8 × 2) nanowires: Electron transport, entropy, and metal-insulator transition","year":"2012","doi":"10.1002/pssb.201100457","language":[{"iso":"eng"}],"publication":"physica status solidi (b)","issue":"2","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"790"},{"_id":"230"},{"_id":"27"}],"type":"journal_article","date_created":"2019-10-15T06:56:58Z"},{"date_created":"2020-02-10T12:11:57Z","department":[{"_id":"15"},{"_id":"170"},{"_id":"297"},{"_id":"35"},{"_id":"230"},{"_id":"27"}],"type":"journal_article","citation":{"short":"N.A. Montgomery, G.J. Hedley, A. Ruseckas, J.-C. Denis, S. Schumacher, A.L. Kanibolotsky, P.J. Skabara, I. Galbraith, G.A. Turnbull, I.D.W. Samuel, Physical Chemistry Chemical Physics (2012).","chicago":"Montgomery, Neil A., Gordon J. Hedley, Arvydas Ruseckas, Jean-Christophe Denis, Stefan Schumacher, Alexander L. Kanibolotsky, Peter J. Skabara, Ian Galbraith, Graham A. Turnbull, and Ifor D. W. Samuel. “Dynamics of Fluorescence Depolarisation in Star-Shaped Oligofluorene-Truxene Molecules.” <i>Physical Chemistry Chemical Physics</i>, 2012. <a href=\"https://doi.org/10.1039/c2cp24141b\">https://doi.org/10.1039/c2cp24141b</a>.","ieee":"N. A. Montgomery <i>et al.</i>, “Dynamics of fluorescence depolarisation in star-shaped oligofluorene-truxene molecules,” <i>Physical Chemistry Chemical Physics</i>, Art. no. 9176, 2012, doi: <a href=\"https://doi.org/10.1039/c2cp24141b\">10.1039/c2cp24141b</a>.","apa":"Montgomery, N. A., Hedley, G. J., Ruseckas, A., Denis, J.-C., Schumacher, S., Kanibolotsky, A. L., Skabara, P. J., Galbraith, I., Turnbull, G. A., &#38; Samuel, I. D. W. (2012). Dynamics of fluorescence depolarisation in star-shaped oligofluorene-truxene molecules. <i>Physical Chemistry Chemical Physics</i>, Article 9176. <a href=\"https://doi.org/10.1039/c2cp24141b\">https://doi.org/10.1039/c2cp24141b</a>","bibtex":"@article{Montgomery_Hedley_Ruseckas_Denis_Schumacher_Kanibolotsky_Skabara_Galbraith_Turnbull_Samuel_2012, title={Dynamics of fluorescence depolarisation in star-shaped oligofluorene-truxene molecules}, DOI={<a href=\"https://doi.org/10.1039/c2cp24141b\">10.1039/c2cp24141b</a>}, number={9176}, journal={Physical Chemistry Chemical Physics}, author={Montgomery, Neil A. and Hedley, Gordon J. and Ruseckas, Arvydas and Denis, Jean-Christophe and Schumacher, Stefan and Kanibolotsky, Alexander L. and Skabara, Peter J. and Galbraith, Ian and Turnbull, Graham A. and Samuel, Ifor D. W.}, year={2012} }","ama":"Montgomery NA, Hedley GJ, Ruseckas A, et al. Dynamics of fluorescence depolarisation in star-shaped oligofluorene-truxene molecules. <i>Physical Chemistry Chemical Physics</i>. Published online 2012. doi:<a href=\"https://doi.org/10.1039/c2cp24141b\">10.1039/c2cp24141b</a>","mla":"Montgomery, Neil A., et al. “Dynamics of Fluorescence Depolarisation in Star-Shaped Oligofluorene-Truxene Molecules.” <i>Physical Chemistry Chemical Physics</i>, 9176, 2012, doi:<a href=\"https://doi.org/10.1039/c2cp24141b\">10.1039/c2cp24141b</a>."},"publication":"Physical Chemistry Chemical Physics","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"language":[{"iso":"eng"}],"_id":"15872","article_number":"9176","doi":"10.1039/c2cp24141b","user_id":"16199","publication_identifier":{"issn":["1463-9076","1463-9084"]},"author":[{"full_name":"Montgomery, Neil A.","last_name":"Montgomery","first_name":"Neil A."},{"first_name":"Gordon J.","last_name":"Hedley","full_name":"Hedley, Gordon J."},{"full_name":"Ruseckas, Arvydas","last_name":"Ruseckas","first_name":"Arvydas"},{"full_name":"Denis, Jean-Christophe","last_name":"Denis","first_name":"Jean-Christophe"},{"orcid":"0000-0003-4042-4951","last_name":"Schumacher","first_name":"Stefan","full_name":"Schumacher, Stefan","id":"27271"},{"full_name":"Kanibolotsky, Alexander L.","last_name":"Kanibolotsky","first_name":"Alexander L."},{"full_name":"Skabara, Peter J.","first_name":"Peter J.","last_name":"Skabara"},{"full_name":"Galbraith, Ian","last_name":"Galbraith","first_name":"Ian"},{"full_name":"Turnbull, Graham A.","first_name":"Graham A.","last_name":"Turnbull"},{"first_name":"Ifor D. W.","last_name":"Samuel","full_name":"Samuel, Ifor D. W."}],"status":"public","title":"Dynamics of fluorescence depolarisation in star-shaped oligofluorene-truxene molecules","year":"2012","date_updated":"2025-12-16T08:03:17Z","publication_status":"published"},{"volume":24,"ddc":["530"],"user_id":"16199","publisher":"IOP Publishing","_id":"18542","has_accepted_license":"1","status":"public","external_id":{"isi":["000306270700001"],"pmid":["22773268"]},"quality_controlled":"1","isi":"1","citation":{"mla":"Friedrich, Christoph, et al. “Hybrid Functionals and GW Approximation in the FLAPW Method.” <i>Journal of Physics: Condensed Matter</i>, vol. 24, no. 29, 293201, IOP Publishing, 2012, doi:<a href=\"https://doi.org/10.1088/0953-8984/24/29/293201\">10.1088/0953-8984/24/29/293201</a>.","bibtex":"@article{Friedrich_Betzinger_Schlipf_Blügel_Schindlmayr_2012, title={Hybrid functionals and GW approximation in the FLAPW method}, volume={24}, DOI={<a href=\"https://doi.org/10.1088/0953-8984/24/29/293201\">10.1088/0953-8984/24/29/293201</a>}, number={29293201}, journal={Journal of Physics: Condensed Matter}, publisher={IOP Publishing}, author={Friedrich, Christoph and Betzinger, Markus and Schlipf, Martin and Blügel, Stefan and Schindlmayr, Arno}, year={2012} }","ama":"Friedrich C, Betzinger M, Schlipf M, Blügel S, Schindlmayr A. Hybrid functionals and GW approximation in the FLAPW method. <i>Journal of Physics: Condensed Matter</i>. 2012;24(29). doi:<a href=\"https://doi.org/10.1088/0953-8984/24/29/293201\">10.1088/0953-8984/24/29/293201</a>","ieee":"C. Friedrich, M. Betzinger, M. Schlipf, S. Blügel, and A. Schindlmayr, “Hybrid functionals and GW approximation in the FLAPW method,” <i>Journal of Physics: Condensed Matter</i>, vol. 24, no. 29, Art. no. 293201, 2012, doi: <a href=\"https://doi.org/10.1088/0953-8984/24/29/293201\">10.1088/0953-8984/24/29/293201</a>.","apa":"Friedrich, C., Betzinger, M., Schlipf, M., Blügel, S., &#38; Schindlmayr, A. (2012). Hybrid functionals and GW approximation in the FLAPW method. <i>Journal of Physics: Condensed Matter</i>, <i>24</i>(29), Article 293201. <a href=\"https://doi.org/10.1088/0953-8984/24/29/293201\">https://doi.org/10.1088/0953-8984/24/29/293201</a>","short":"C. Friedrich, M. Betzinger, M. Schlipf, S. Blügel, A. Schindlmayr, Journal of Physics: Condensed Matter 24 (2012).","chicago":"Friedrich, Christoph, Markus Betzinger, Martin Schlipf, Stefan Blügel, and Arno Schindlmayr. “Hybrid Functionals and GW Approximation in the FLAPW Method.” <i>Journal of Physics: Condensed Matter</i> 24, no. 29 (2012). <a href=\"https://doi.org/10.1088/0953-8984/24/29/293201\">https://doi.org/10.1088/0953-8984/24/29/293201</a>."},"file_date_updated":"2020-08-30T15:00:14Z","doi":"10.1088/0953-8984/24/29/293201","pmid":"1","language":[{"iso":"eng"}],"article_number":"293201","intvolume":"        24","article_type":"review","date_updated":"2025-12-16T08:09:33Z","publication_status":"published","author":[{"full_name":"Friedrich, Christoph","first_name":"Christoph","last_name":"Friedrich"},{"full_name":"Betzinger, Markus","first_name":"Markus","last_name":"Betzinger"},{"first_name":"Martin","last_name":"Schlipf","full_name":"Schlipf, Martin"},{"last_name":"Blügel","first_name":"Stefan","full_name":"Blügel, Stefan"},{"id":"458","full_name":"Schindlmayr, Arno","orcid":"0000-0002-4855-071X","first_name":"Arno","last_name":"Schindlmayr"}],"publication_identifier":{"issn":["0953-8984"],"eissn":["1361-648X"]},"year":"2012","title":"Hybrid functionals and GW approximation in the FLAPW method","department":[{"_id":"296"},{"_id":"35"},{"_id":"15"},{"_id":"170"},{"_id":"230"}],"type":"journal_article","date_created":"2020-08-28T10:14:44Z","file":[{"content_type":"application/pdf","file_id":"18580","title":"Hybrid functionals and GW approximation in the FLAPW method","access_level":"closed","file_size":1059896,"file_name":"Friedrich_2012_J._Phys. _Condens._Matter_24_293201.pdf","date_updated":"2020-08-30T15:00:14Z","relation":"main_file","date_created":"2020-08-28T14:30:29Z","description":"© 2012 IOP Publishing Ltd","creator":"schindlm"}],"abstract":[{"lang":"eng","text":"We present recent advances in numerical implementations of hybrid functionals and the GW approximation within the full-potential linearized augmented-plane-wave (FLAPW) method. The former is an approximation for the exchange–correlation contribution to the total energy functional in density-functional theory, and the latter is an approximation for the electronic self-energy in the framework of many-body perturbation theory. All implementations employ the mixed product basis, which has evolved into a versatile basis for the products of wave functions, describing the incoming and outgoing states of an electron that is scattered by interacting with another electron. It can thus be used for representing the nonlocal potential in hybrid functionals as well as the screened interaction and related quantities in GW calculations. In particular, the six-dimensional space integrals of the Hamiltonian exchange matrix elements (and exchange self-energy) decompose into sums over vector–matrix–vector products, which can be evaluated easily. The correlation part of the GW self-energy, which contains a time or frequency dependence, is calculated on the imaginary frequency axis with a subsequent analytic continuation to the real axis or, alternatively, by a direct frequency convolution of the Green function G and the dynamically screened Coulomb interaction W along a contour integration path that avoids the poles of the Green function. Hybrid-functional and GW calculations are notoriously computationally expensive. We present a number of tricks that reduce the computational cost considerably, including the use of spatial and time-reversal symmetries, modifications of the mixed product basis with the aim to optimize it for the correlation self-energy and another modification that makes the Coulomb matrix sparse, analytic expansions of the interaction potentials around the point of divergence at k=0, and a nested density and density-matrix convergence scheme for hybrid-functional calculations. We show CPU timings for prototype semiconductors and illustrative results for GdN and ZnO. "}],"issue":"29","publication":"Journal of Physics: Condensed Matter"},{"status":"public","conference":{"name":"17th Int. Conference on MBE 2012","location":"Nara (Japan)"},"has_accepted_license":"1","page":"291-294","_id":"4104","publisher":"Elsevier BV","ddc":["530"],"user_id":"16199","volume":378,"file_date_updated":"2018-08-23T13:01:13Z","citation":{"chicago":"Kemper, R.M., L. Hiller, T. Stauden, J. Pezoldt, K. Duschik, T. Niendorf, H.J. Maier, et al. “Growth of Cubic GaN on 3C–SiC/Si (001) Nanostructures.” <i>Journal of Crystal Growth</i> 378 (2012): 291–94. <a href=\"https://doi.org/10.1016/j.jcrysgro.2012.10.011\">https://doi.org/10.1016/j.jcrysgro.2012.10.011</a>.","ama":"Kemper RM, Hiller L, Stauden T, et al. Growth of cubic GaN on 3C–SiC/Si (001) nanostructures. <i>Journal of Crystal Growth</i>. 2012;378:291-294. doi:<a href=\"https://doi.org/10.1016/j.jcrysgro.2012.10.011\">10.1016/j.jcrysgro.2012.10.011</a>","short":"R.M. Kemper, L. Hiller, T. Stauden, J. Pezoldt, K. Duschik, T. Niendorf, H.J. Maier, D. Meertens, K. Tillmann, D.J. As, J. Lindner, Journal of Crystal Growth 378 (2012) 291–294.","bibtex":"@article{Kemper_Hiller_Stauden_Pezoldt_Duschik_Niendorf_Maier_Meertens_Tillmann_As_et al._2012, title={Growth of cubic GaN on 3C–SiC/Si (001) nanostructures}, volume={378}, DOI={<a href=\"https://doi.org/10.1016/j.jcrysgro.2012.10.011\">10.1016/j.jcrysgro.2012.10.011</a>}, journal={Journal of Crystal Growth}, publisher={Elsevier BV}, author={Kemper, R.M. and Hiller, L. and Stauden, T. and Pezoldt, J. and Duschik, K. and Niendorf, T. and Maier, H.J. and Meertens, D. and Tillmann, K. and As, D.J. and et al.}, year={2012}, pages={291–294} }","apa":"Kemper, R. M., Hiller, L., Stauden, T., Pezoldt, J., Duschik, K., Niendorf, T., Maier, H. J., Meertens, D., Tillmann, K., As, D. J., &#38; Lindner, J. (2012). Growth of cubic GaN on 3C–SiC/Si (001) nanostructures. <i>Journal of Crystal Growth</i>, <i>378</i>, 291–294. <a href=\"https://doi.org/10.1016/j.jcrysgro.2012.10.011\">https://doi.org/10.1016/j.jcrysgro.2012.10.011</a>","mla":"Kemper, R. M., et al. “Growth of Cubic GaN on 3C–SiC/Si (001) Nanostructures.” <i>Journal of Crystal Growth</i>, vol. 378, Elsevier BV, 2012, pp. 291–94, doi:<a href=\"https://doi.org/10.1016/j.jcrysgro.2012.10.011\">10.1016/j.jcrysgro.2012.10.011</a>.","ieee":"R. M. Kemper <i>et al.</i>, “Growth of cubic GaN on 3C–SiC/Si (001) nanostructures,” <i>Journal of Crystal Growth</i>, vol. 378, pp. 291–294, 2012, doi: <a href=\"https://doi.org/10.1016/j.jcrysgro.2012.10.011\">10.1016/j.jcrysgro.2012.10.011</a>."},"title":"Growth of cubic GaN on 3C–SiC/Si (001) nanostructures","year":"2012","publication_identifier":{"issn":["0022-0248"]},"author":[{"full_name":"Kemper, R.M.","first_name":"R.M.","last_name":"Kemper"},{"first_name":"L.","last_name":"Hiller","full_name":"Hiller, L."},{"full_name":"Stauden, T.","first_name":"T.","last_name":"Stauden"},{"last_name":"Pezoldt","first_name":"J.","full_name":"Pezoldt, J."},{"last_name":"Duschik","first_name":"K.","full_name":"Duschik, K."},{"full_name":"Niendorf, T.","first_name":"T.","last_name":"Niendorf"},{"full_name":"Maier, H.J.","first_name":"H.J.","last_name":"Maier"},{"first_name":"D.","last_name":"Meertens","full_name":"Meertens, D."},{"last_name":"Tillmann","first_name":"K.","full_name":"Tillmann, K."},{"last_name":"As","first_name":"D.J.","full_name":"As, D.J."},{"id":"20797","last_name":"Lindner","first_name":"Jörg","full_name":"Lindner, Jörg"}],"date_updated":"2025-12-16T08:12:58Z","publication_status":"published","intvolume":"       378","article_type":"original","language":[{"iso":"eng"}],"doi":"10.1016/j.jcrysgro.2012.10.011","publication":"Journal of Crystal Growth","abstract":[{"text":"We report on the molecular beam epitaxy growth of cubic GaN on 3C–SiC (001) nanostructures. Transmission electron microscopy (TEM) studies show phase-pure cubic GaN crystals with a low defect density on top of the post shaped 3C–SiC nanostructures and GaN grown on their sidewalls, which is dominated by {111} planar defects. The nanostructures, aligned parallel and perpendicular to the [110] directions of the substrate, are located in anti-phase domains of the 3C–SiC/Si (001) substrate. These anti-phase domains strongly influence the optimum growth of GaN layers in these regions. TEM measurements demonstrate a different stacking fault density in the cubic GaN epilayer in these areas.","lang":"eng"}],"file":[{"date_created":"2018-08-23T13:01:13Z","creator":"hclaudia","file_id":"4105","success":1,"content_type":"application/pdf","relation":"main_file","date_updated":"2018-08-23T13:01:13Z","file_name":"Growth of cubic GaN on 3C-SiC-Si 001 nanostructures.pdf","access_level":"closed","file_size":3716730}],"date_created":"2018-08-23T12:59:44Z","type":"journal_article","department":[{"_id":"15"},{"_id":"286"},{"_id":"35"},{"_id":"230"}]},{"has_accepted_license":"1","status":"public","ddc":["530"],"user_id":"16199","volume":20,"page":"5335-5342","urn":"39744","_id":"3974","publisher":"OSA","project":[{"name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"file_date_updated":"2018-09-04T19:10:02Z","citation":{"short":"S. Schumacher, J. Förstner, A. Zrenner, M. Florian, C. Gies, P. Gartner, F. Jahnke, Optics Express 20 (2012) 5335–5342.","chicago":"Schumacher, Stefan, Jens Förstner, Artur Zrenner, Matthias Florian, Christopher Gies, Paul Gartner, and Frank Jahnke. “Cavity-Assisted Emission of Polarization-Entangled Photons from Biexcitons in Quantum Dots with Fine-Structure Splitting.” <i>Optics Express</i> 20, no. 5 (2012): 5335–42. <a href=\"https://doi.org/10.1364/oe.20.005335\">https://doi.org/10.1364/oe.20.005335</a>.","apa":"Schumacher, S., Förstner, J., Zrenner, A., Florian, M., Gies, C., Gartner, P., &#38; Jahnke, F. (2012). Cavity-assisted emission of polarization-entangled photons from biexcitons in quantum dots with fine-structure splitting. <i>Optics Express</i>, <i>20</i>(5), 5335–5342. <a href=\"https://doi.org/10.1364/oe.20.005335\">https://doi.org/10.1364/oe.20.005335</a>","ieee":"S. Schumacher <i>et al.</i>, “Cavity-assisted emission of polarization-entangled photons from biexcitons in quantum dots with fine-structure splitting,” <i>Optics Express</i>, vol. 20, no. 5, pp. 5335–5342, 2012, doi: <a href=\"https://doi.org/10.1364/oe.20.005335\">10.1364/oe.20.005335</a>.","ama":"Schumacher S, Förstner J, Zrenner A, et al. Cavity-assisted emission of polarization-entangled photons from biexcitons in quantum dots with fine-structure splitting. <i>Optics Express</i>. 2012;20(5):5335-5342. doi:<a href=\"https://doi.org/10.1364/oe.20.005335\">10.1364/oe.20.005335</a>","bibtex":"@article{Schumacher_Förstner_Zrenner_Florian_Gies_Gartner_Jahnke_2012, title={Cavity-assisted emission of polarization-entangled photons from biexcitons in quantum dots with fine-structure splitting}, volume={20}, DOI={<a href=\"https://doi.org/10.1364/oe.20.005335\">10.1364/oe.20.005335</a>}, number={5}, journal={Optics Express}, publisher={OSA}, author={Schumacher, Stefan and Förstner, Jens and Zrenner, Artur and Florian, Matthias and Gies, Christopher and Gartner, Paul and Jahnke, Frank}, year={2012}, pages={5335–5342} }","mla":"Schumacher, Stefan, et al. “Cavity-Assisted Emission of Polarization-Entangled Photons from Biexcitons in Quantum Dots with Fine-Structure Splitting.” <i>Optics Express</i>, vol. 20, no. 5, OSA, 2012, pp. 5335–42, doi:<a href=\"https://doi.org/10.1364/oe.20.005335\">10.1364/oe.20.005335</a>."},"oa":"1","date_updated":"2025-12-16T11:12:04Z","publication_status":"published","intvolume":"        20","article_type":"original","title":"Cavity-assisted emission of polarization-entangled photons from biexcitons in quantum dots with fine-structure splitting","year":"2012","author":[{"id":"27271","last_name":"Schumacher","orcid":"0000-0003-4042-4951","first_name":"Stefan","full_name":"Schumacher, Stefan"},{"id":"158","orcid":"0000-0001-7059-9862","first_name":"Jens","last_name":"Förstner","full_name":"Förstner, Jens"},{"id":"606","full_name":"Zrenner, Artur","orcid":"0000-0002-5190-0944","last_name":"Zrenner","first_name":"Artur"},{"full_name":"Florian, Matthias","first_name":"Matthias","last_name":"Florian"},{"last_name":"Gies","first_name":"Christopher","full_name":"Gies, Christopher"},{"last_name":"Gartner","first_name":"Paul","full_name":"Gartner, Paul"},{"full_name":"Jahnke, Frank","last_name":"Jahnke","first_name":"Frank"}],"publication_identifier":{"issn":["1094-4087"]},"doi":"10.1364/oe.20.005335","language":[{"iso":"eng"}],"abstract":[{"lang":"eng","text":"We study the quantum properties and statistics of photons emitted by a quantum-dot biexciton inside a cavity. In the biexciton-exciton cascade, fine-structure splitting between exciton levels degrades polarization-entanglement for the emitted pair of photons. However, here we show that the polarization-entanglement can be preserved in such a system through simultaneous emission of two degenerate photons into cavity modes tuned to half the biexciton energy. Based on detailed theoretical calculations for realistic quantum-dot and cavity parameters, we quantify the degree of achievable entanglement."}],"issue":"5","publication":"Optics Express","type":"journal_article","keyword":["tet_topic_qd"],"department":[{"_id":"15"},{"_id":"290"},{"_id":"230"},{"_id":"297"},{"_id":"35"},{"_id":"170"},{"_id":"34"},{"_id":"61"},{"_id":"27"}],"file":[{"content_type":"application/pdf","file_id":"3975","file_size":751384,"access_level":"open_access","file_name":"2012 Schumacher,Förstner,Zrenner,Florian,Gies,Gartner,Jahnke_Cavity assisted emission of polarization-entangled photons.pdf","date_updated":"2018-09-04T19:10:02Z","relation":"main_file","date_created":"2018-08-21T09:05:01Z","creator":"hclaudia"}],"date_created":"2018-08-21T09:03:31Z"},{"status":"public","volume":42,"user_id":"16199","_id":"40405","publisher":"IOP Publishing","page":"199-207","citation":{"ieee":"P. Sharapova and O. V. Tikhonova, “Dynamics of ionisation and entanglement in the ‘atom + quantum electromagnetic field’ system,” <i>Quantum Electronics</i>, vol. 42, no. 3, pp. 199–207, 2012, doi: <a href=\"https://doi.org/10.1070/qe2012v042n03abeh014805\">10.1070/qe2012v042n03abeh014805</a>.","mla":"Sharapova, Polina, and O. V. Tikhonova. “Dynamics of Ionisation and Entanglement in the ‘atom + Quantum Electromagnetic Field’ System.” <i>Quantum Electronics</i>, vol. 42, no. 3, IOP Publishing, 2012, pp. 199–207, doi:<a href=\"https://doi.org/10.1070/qe2012v042n03abeh014805\">10.1070/qe2012v042n03abeh014805</a>.","apa":"Sharapova, P., &#38; Tikhonova, O. V. (2012). Dynamics of ionisation and entanglement in the “atom + quantum electromagnetic field” system. <i>Quantum Electronics</i>, <i>42</i>(3), 199–207. <a href=\"https://doi.org/10.1070/qe2012v042n03abeh014805\">https://doi.org/10.1070/qe2012v042n03abeh014805</a>","bibtex":"@article{Sharapova_Tikhonova_2012, title={Dynamics of ionisation and entanglement in the “atom + quantum electromagnetic field” system}, volume={42}, DOI={<a href=\"https://doi.org/10.1070/qe2012v042n03abeh014805\">10.1070/qe2012v042n03abeh014805</a>}, number={3}, journal={Quantum Electronics}, publisher={IOP Publishing}, author={Sharapova, Polina and Tikhonova, O V}, year={2012}, pages={199–207} }","chicago":"Sharapova, Polina, and O V Tikhonova. “Dynamics of Ionisation and Entanglement in the ‘atom + Quantum Electromagnetic Field’ System.” <i>Quantum Electronics</i> 42, no. 3 (2012): 199–207. <a href=\"https://doi.org/10.1070/qe2012v042n03abeh014805\">https://doi.org/10.1070/qe2012v042n03abeh014805</a>.","short":"P. Sharapova, O.V. Tikhonova, Quantum Electronics 42 (2012) 199–207.","ama":"Sharapova P, Tikhonova OV. Dynamics of ionisation and entanglement in the “atom + quantum electromagnetic field” system. <i>Quantum Electronics</i>. 2012;42(3):199-207. doi:<a href=\"https://doi.org/10.1070/qe2012v042n03abeh014805\">10.1070/qe2012v042n03abeh014805</a>"},"intvolume":"        42","publication_status":"published","date_updated":"2025-12-16T11:15:59Z","publication_identifier":{"issn":["1063-7818","1468-4799"]},"author":[{"last_name":"Sharapova","first_name":"Polina","full_name":"Sharapova, Polina","id":"60286"},{"full_name":"Tikhonova, O V","first_name":"O V","last_name":"Tikhonova"}],"year":"2012","title":"Dynamics of ionisation and entanglement in the 'atom + quantum electromagnetic field' system","doi":"10.1070/qe2012v042n03abeh014805","language":[{"iso":"eng"}],"publication":"Quantum Electronics","issue":"3","department":[{"_id":"15"},{"_id":"569"},{"_id":"170"},{"_id":"35"},{"_id":"230"}],"keyword":["Electrical and Electronic Engineering","Atomic and Molecular Physics","and Optics","Statistical and Nonlinear Physics","Electronic","Optical and Magnetic Materials"],"type":"journal_article","date_created":"2023-01-26T14:33:02Z"},{"publisher":"AIP AIP Conference Proceedings 1475","_id":"3965","ddc":["530"],"user_id":"16199","status":"public","conference":{"name":"The Fith International Workshop 2012 (AIP conference Proceedings)","location":"Bad Honnef"},"has_accepted_license":"1","file_date_updated":"2018-08-21T07:54:07Z","citation":{"mla":"Hildebrandt, Andre, et al. <i>Optimization of the Intensity Enhancement in Plasmonic Nanoantennas</i>. no. 59, AIP AIP Conference Proceedings 1475, 2012, doi:<a href=\"https://doi.org/10.1063/1.4750095\">10.1063/1.4750095</a>.","apa":"Hildebrandt, A., Reichelt, M., Meier, T., &#38; Förstner, J. (2012). <i>Optimization of the intensity enhancement in plasmonic nanoantennas</i>. <i>59</i>. <a href=\"https://doi.org/10.1063/1.4750095\">https://doi.org/10.1063/1.4750095</a>","ieee":"A. Hildebrandt, M. Reichelt, T. Meier, and J. Förstner, “Optimization of the intensity enhancement in plasmonic nanoantennas,” Bad Honnef, 2012, no. 59, doi: <a href=\"https://doi.org/10.1063/1.4750095\">10.1063/1.4750095</a>.","chicago":"Hildebrandt, Andre, Matthias Reichelt, Torsten Meier, and Jens Förstner. “Optimization of the Intensity Enhancement in Plasmonic Nanoantennas.” AIP AIP Conference Proceedings 1475, 2012. <a href=\"https://doi.org/10.1063/1.4750095\">https://doi.org/10.1063/1.4750095</a>.","short":"A. Hildebrandt, M. Reichelt, T. Meier, J. Förstner, in: AIP AIP Conference Proceedings 1475, 2012.","ama":"Hildebrandt A, Reichelt M, Meier T, Förstner J. Optimization of the intensity enhancement in plasmonic nanoantennas. In: AIP AIP Conference Proceedings 1475; 2012. doi:<a href=\"https://doi.org/10.1063/1.4750095\">10.1063/1.4750095</a>","bibtex":"@inproceedings{Hildebrandt_Reichelt_Meier_Förstner_2012, title={Optimization of the intensity enhancement in plasmonic nanoantennas}, DOI={<a href=\"https://doi.org/10.1063/1.4750095\">10.1063/1.4750095</a>}, number={59}, publisher={AIP AIP Conference Proceedings 1475}, author={Hildebrandt, Andre and Reichelt, Matthias and Meier, Torsten and Förstner, Jens}, year={2012} }"},"language":[{"iso":"eng"}],"doi":"10.1063/1.4750095","year":"2012","title":"Optimization of the intensity enhancement in plasmonic nanoantennas","author":[{"full_name":"Hildebrandt, Andre","first_name":"Andre","last_name":"Hildebrandt"},{"id":"138","first_name":"Matthias","last_name":"Reichelt","full_name":"Reichelt, Matthias"},{"id":"344","full_name":"Meier, Torsten","orcid":"0000-0001-8864-2072","first_name":"Torsten","last_name":"Meier"},{"full_name":"Förstner, Jens","first_name":"Jens","last_name":"Förstner","orcid":"0000-0001-7059-9862","id":"158"}],"date_updated":"2025-12-16T11:20:08Z","publication_status":"published","file":[{"relation":"main_file","date_updated":"2018-08-21T07:54:07Z","file_name":"2012-11 Hildebrandt,Reichelt,Meier,Förstner_Optimization of the intensity enhancement in plasmonic nanoantennas.pdf","file_size":958277,"access_level":"closed","file_id":"3966","content_type":"application/pdf","success":1,"creator":"hclaudia","date_created":"2018-08-21T07:54:07Z"}],"date_created":"2018-08-21T07:49:52Z","type":"conference","keyword":["tet_topic_optical antenna","tet_topic_plasmonics"],"department":[{"_id":"15"},{"_id":"230"},{"_id":"170"},{"_id":"61"},{"_id":"230"},{"_id":"35"},{"_id":"34"}],"issue":"59","abstract":[{"lang":"eng","text":"We design the geometrical shape of plasmonic nanostructures to achieve field patterns with desired properties. For this, we combine Maxwell simulations and automatic optimization techniques. By allowing variations of the geometrical shape, which can be based on either boxes or arbitrary polygons, we maximize the desired objective."}]},{"date_updated":"2025-12-16T11:28:58Z","publication_status":"published","intvolume":"         9","article_type":"original","year":"2012","title":"First-principles and empirical potential simulation study of intrinsic and carbon-related defects in silicon","publication_identifier":{"issn":["1862-6351"]},"author":[{"full_name":"Zirkelbach, F.","first_name":"F.","last_name":"Zirkelbach"},{"first_name":"B.","last_name":"Stritzker","full_name":"Stritzker, B."},{"full_name":"Nordlund, K.","last_name":"Nordlund","first_name":"K."},{"full_name":"Schmidt, Wolf Gero","orcid":"0000-0002-2717-5076","first_name":"Wolf Gero","last_name":"Schmidt","id":"468"},{"first_name":"E.","last_name":"Rauls","full_name":"Rauls, E."},{"id":"20797","first_name":"Jörg K. N.","last_name":"Lindner","full_name":"Lindner, Jörg K. N."}],"doi":"10.1002/pssc.201200198","language":[{"iso":"eng"}],"abstract":[{"lang":"eng","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."}],"issue":"10-11","publication":"physica status solidi (c)","type":"journal_article","department":[{"_id":"15"},{"_id":"286"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"}],"file":[{"creator":"hclaudia","date_created":"2018-08-27T12:19:56Z","relation":"main_file","date_updated":"2018-08-27T12:19:56Z","file_name":"First-principles and empirical potential simulation study of intrinsic and carbon-related defects in silicon.pdf","access_level":"closed","file_size":283206,"file_id":"4137","success":1,"content_type":"application/pdf"}],"date_created":"2018-08-27T12:19:26Z","has_accepted_license":"1","status":"public","ddc":["530"],"user_id":"16199","volume":9,"page":"1968-1973","publisher":"Wiley","_id":"4136","file_date_updated":"2018-08-27T12:19:56Z","citation":{"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} }","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>.","short":"F. Zirkelbach, B. Stritzker, K. Nordlund, W.G. Schmidt, E. Rauls, J.K.N. Lindner, Physica Status Solidi (c) 9 (2012) 1968–1973.","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>.","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>."}}]