[{"department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"27"}],"user_id":"16199","_id":"13535","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"language":[{"iso":"eng"}],"publication":"IEEE Transactions on Ultrasonics, Ferroelectrics and Frequency Control","type":"journal_article","status":"public","volume":59,"date_created":"2019-09-30T14:32:33Z","author":[{"last_name":"Sanna","full_name":"Sanna, S.","first_name":"S."},{"full_name":"Schmidt, Wolf Gero","id":"468","last_name":"Schmidt","orcid":"0000-0002-2717-5076","first_name":"Wolf Gero"}],"date_updated":"2025-12-05T10:47:57Z","doi":"10.1109/tuffc.2012.2408","title":"Ferroelectric phase transition in LiNbO3: Insights from molecular dynamics","issue":"9","publication_identifier":{"issn":["0885-3010"]},"publication_status":"published","page":"1925-1928","intvolume":"        59","citation":{"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>.","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>.","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>","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>","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.","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} }"},"year":"2012"},{"citation":{"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>.","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>.","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>","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).","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>."},"intvolume":"        86","year":"2012","issue":"12","publication_status":"published","publication_identifier":{"issn":["1098-0121","1550-235X"]},"doi":"10.1103/physrevb.86.125410","title":"Polarization-dependent methanol adsorption on lithium niobate Z-cut surfaces","author":[{"first_name":"A.","full_name":"Riefer, A.","last_name":"Riefer"},{"first_name":"S.","full_name":"Sanna, S.","last_name":"Sanna"},{"first_name":"Wolf Gero","last_name":"Schmidt","orcid":"0000-0002-2717-5076","id":"468","full_name":"Schmidt, Wolf Gero"}],"date_created":"2019-09-30T14:40:30Z","volume":86,"date_updated":"2025-12-05T10:47:16Z","status":"public","type":"journal_article","publication":"Physical Review B","language":[{"iso":"eng"}],"user_id":"16199","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"27"}],"project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"_id":"13538"},{"status":"public","abstract":[{"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>","lang":"eng"}],"type":"journal_article","publication":"The Journal of Chemical Physics","language":[{"iso":"eng"}],"article_number":"224102","user_id":"16199","department":[{"_id":"15"},{"_id":"170"},{"_id":"297"},{"_id":"35"},{"_id":"230"}],"_id":"62927","citation":{"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>","short":"J.-C. Denis, S. Schumacher, I. Galbraith, The Journal of Chemical Physics 137 (2012).","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} }","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>.","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>","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>."},"intvolume":"       137","year":"2012","issue":"22","publication_status":"published","publication_identifier":{"issn":["0021-9606","1089-7690"]},"doi":"10.1063/1.4768244","title":"Quantitative description of interactions between linear organic chromophores","date_created":"2025-12-05T14:58:30Z","author":[{"first_name":"Jean-Christophe","full_name":"Denis, Jean-Christophe","last_name":"Denis"},{"first_name":"Stefan","id":"27271","full_name":"Schumacher, Stefan","last_name":"Schumacher","orcid":"0000-0003-4042-4951"},{"first_name":"Ian","full_name":"Galbraith, Ian","last_name":"Galbraith"}],"volume":137,"publisher":"AIP Publishing","date_updated":"2025-12-05T14:59:12Z"},{"author":[{"full_name":"Wiebeler, Christian","last_name":"Wiebeler","first_name":"Christian"},{"first_name":"Raphael","full_name":"Tautz, Raphael","last_name":"Tautz"},{"first_name":"Jochen","last_name":"Feldmann","full_name":"Feldmann, Jochen"},{"last_name":"von Hauff","full_name":"von Hauff, Elizabeth","first_name":"Elizabeth"},{"first_name":"Enrico","last_name":"Da Como","full_name":"Da Como, Enrico"},{"first_name":"Stefan","id":"27271","full_name":"Schumacher, Stefan","last_name":"Schumacher","orcid":"0000-0003-4042-4951"}],"date_created":"2020-02-10T12:02:58Z","date_updated":"2025-12-05T14:56:05Z","doi":"10.1021/jp3084869","title":"Spectral Signatures of Polarons in Conjugated Co-polymers","publication_status":"published","publication_identifier":{"issn":["1520-6106","1520-5207"]},"citation":{"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>","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>.","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>.","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} }","short":"C. Wiebeler, R. Tautz, J. Feldmann, E. von Hauff, E. Da Como, S. Schumacher, The Journal of Physical Chemistry B (2012) 4454–4460.","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>"},"page":"4454-4460","year":"2012","user_id":"16199","department":[{"_id":"15"},{"_id":"170"},{"_id":"297"},{"_id":"35"},{"_id":"230"}],"project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"_id":"15869","language":[{"iso":"eng"}],"type":"journal_article","publication":"The Journal of Physical Chemistry B","status":"public"},{"title":"In-Si(111)(4 × 1)/(8 × 2) nanowires: Electron transport, entropy, and metal-insulator transition","date_created":"2019-10-15T06:56:58Z","year":"2012","issue":"2","language":[{"iso":"eng"}],"publication":"physica status solidi (b)","doi":"10.1002/pssb.201100457","volume":249,"author":[{"first_name":"Wolf Gero","id":"468","full_name":"Schmidt, Wolf Gero","orcid":"0000-0002-2717-5076","last_name":"Schmidt"},{"last_name":"Wippermann","full_name":"Wippermann, S.","first_name":"S."},{"full_name":"Sanna, S.","last_name":"Sanna","first_name":"S."},{"first_name":"M.","last_name":"Babilon","full_name":"Babilon, M."},{"first_name":"N. J.","full_name":"Vollmers, N. J.","last_name":"Vollmers"},{"orcid":"0000-0002-4476-223X","last_name":"Gerstmann","full_name":"Gerstmann, Uwe","id":"171","first_name":"Uwe"}],"date_updated":"2025-12-16T07:52:26Z","page":"343-359","intvolume":"       249","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>.","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} }","short":"W.G. Schmidt, S. Wippermann, S. Sanna, M. Babilon, N.J. Vollmers, U. Gerstmann, Physica Status Solidi (b) 249 (2012) 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>.","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>"},"publication_identifier":{"issn":["0370-1972"]},"publication_status":"published","funded_apc":"1","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"790"},{"_id":"230"},{"_id":"27"}],"user_id":"16199","_id":"13820","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"status":"public","type":"journal_article"},{"article_number":"9176","language":[{"iso":"eng"}],"project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"_id":"15872","user_id":"16199","department":[{"_id":"15"},{"_id":"170"},{"_id":"297"},{"_id":"35"},{"_id":"230"},{"_id":"27"}],"status":"public","type":"journal_article","publication":"Physical Chemistry Chemical Physics","title":"Dynamics of fluorescence depolarisation in star-shaped oligofluorene-truxene molecules","doi":"10.1039/c2cp24141b","date_updated":"2025-12-16T08:03:17Z","date_created":"2020-02-10T12:11:57Z","author":[{"first_name":"Neil A.","full_name":"Montgomery, Neil A.","last_name":"Montgomery"},{"first_name":"Gordon J.","full_name":"Hedley, Gordon J.","last_name":"Hedley"},{"last_name":"Ruseckas","full_name":"Ruseckas, Arvydas","first_name":"Arvydas"},{"full_name":"Denis, Jean-Christophe","last_name":"Denis","first_name":"Jean-Christophe"},{"first_name":"Stefan","orcid":"0000-0003-4042-4951","last_name":"Schumacher","id":"27271","full_name":"Schumacher, Stefan"},{"first_name":"Alexander L.","full_name":"Kanibolotsky, Alexander L.","last_name":"Kanibolotsky"},{"first_name":"Peter J.","last_name":"Skabara","full_name":"Skabara, Peter J."},{"full_name":"Galbraith, Ian","last_name":"Galbraith","first_name":"Ian"},{"first_name":"Graham A.","last_name":"Turnbull","full_name":"Turnbull, Graham A."},{"first_name":"Ifor D. W.","full_name":"Samuel, Ifor D. W.","last_name":"Samuel"}],"year":"2012","citation":{"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>","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>.","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>.","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>","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).","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} }","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_status":"published","publication_identifier":{"issn":["1463-9076","1463-9084"]}},{"citation":{"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).","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} }","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>.","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>.","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>"},"intvolume":"        24","publication_status":"published","publication_identifier":{"issn":["0953-8984"],"eissn":["1361-648X"]},"pmid":"1","has_accepted_license":"1","doi":"10.1088/0953-8984/24/29/293201","author":[{"full_name":"Friedrich, Christoph","last_name":"Friedrich","first_name":"Christoph"},{"first_name":"Markus","last_name":"Betzinger","full_name":"Betzinger, Markus"},{"first_name":"Martin","full_name":"Schlipf, Martin","last_name":"Schlipf"},{"first_name":"Stefan","last_name":"Blügel","full_name":"Blügel, Stefan"},{"id":"458","full_name":"Schindlmayr, Arno","last_name":"Schindlmayr","orcid":"0000-0002-4855-071X","first_name":"Arno"}],"volume":24,"date_updated":"2025-12-16T08:09:33Z","status":"public","type":"journal_article","file_date_updated":"2020-08-30T15:00:14Z","article_number":"293201","article_type":"review","isi":"1","user_id":"16199","department":[{"_id":"296"},{"_id":"35"},{"_id":"15"},{"_id":"170"},{"_id":"230"}],"_id":"18542","year":"2012","issue":"29","quality_controlled":"1","title":"Hybrid functionals and GW approximation in the FLAPW method","date_created":"2020-08-28T10:14:44Z","publisher":"IOP Publishing","file":[{"relation":"main_file","date_updated":"2020-08-30T15:00:14Z","date_created":"2020-08-28T14:30:29Z","title":"Hybrid functionals and GW approximation in the FLAPW method","description":"© 2012 IOP Publishing Ltd","file_id":"18580","access_level":"closed","content_type":"application/pdf","creator":"schindlm","file_size":1059896,"file_name":"Friedrich_2012_J._Phys. _Condens._Matter_24_293201.pdf"}],"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. "}],"publication":"Journal of Physics: Condensed Matter","language":[{"iso":"eng"}],"ddc":["530"],"external_id":{"pmid":["22773268"],"isi":["000306270700001"]}},{"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":[{"content_type":"application/pdf","success":1,"relation":"main_file","date_updated":"2018-08-23T13:01:13Z","creator":"hclaudia","date_created":"2018-08-23T13:01:13Z","file_size":3716730,"file_id":"4105","access_level":"closed","file_name":"Growth of cubic GaN on 3C-SiC-Si 001 nanostructures.pdf"}],"publication":"Journal of Crystal Growth","ddc":["530"],"language":[{"iso":"eng"}],"year":"2012","title":"Growth of cubic GaN on 3C–SiC/Si (001) nanostructures","publisher":"Elsevier BV","date_created":"2018-08-23T12:59:44Z","status":"public","type":"journal_article","article_type":"original","file_date_updated":"2018-08-23T13:01:13Z","_id":"4104","department":[{"_id":"15"},{"_id":"286"},{"_id":"35"},{"_id":"230"}],"user_id":"16199","page":"291-294","intvolume":"       378","citation":{"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} }","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>.","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.","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>","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>","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>.","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>."},"has_accepted_license":"1","publication_identifier":{"issn":["0022-0248"]},"publication_status":"published","conference":{"location":"Nara (Japan)","name":"17th Int. Conference on MBE 2012"},"doi":"10.1016/j.jcrysgro.2012.10.011","date_updated":"2025-12-16T08:12:58Z","volume":378,"author":[{"last_name":"Kemper","full_name":"Kemper, R.M.","first_name":"R.M."},{"full_name":"Hiller, L.","last_name":"Hiller","first_name":"L."},{"first_name":"T.","full_name":"Stauden, T.","last_name":"Stauden"},{"last_name":"Pezoldt","full_name":"Pezoldt, J.","first_name":"J."},{"full_name":"Duschik, K.","last_name":"Duschik","first_name":"K."},{"first_name":"T.","full_name":"Niendorf, T.","last_name":"Niendorf"},{"first_name":"H.J.","full_name":"Maier, H.J.","last_name":"Maier"},{"first_name":"D.","full_name":"Meertens, D.","last_name":"Meertens"},{"first_name":"K.","last_name":"Tillmann","full_name":"Tillmann, K."},{"full_name":"As, D.J.","last_name":"As","first_name":"D.J."},{"first_name":"Jörg","full_name":"Lindner, Jörg","id":"20797","last_name":"Lindner"}]},{"publisher":"OSA","date_created":"2018-08-21T09:03:31Z","title":"Cavity-assisted emission of polarization-entangled photons from biexcitons in quantum dots with fine-structure splitting","issue":"5","year":"2012","keyword":["tet_topic_qd"],"ddc":["530"],"language":[{"iso":"eng"}],"publication":"Optics Express","abstract":[{"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.","lang":"eng"}],"file":[{"creator":"hclaudia","date_created":"2018-08-21T09:05:01Z","date_updated":"2018-09-04T19:10:02Z","file_id":"3975","access_level":"open_access","file_name":"2012 Schumacher,Förstner,Zrenner,Florian,Gies,Gartner,Jahnke_Cavity assisted emission of polarization-entangled photons.pdf","file_size":751384,"content_type":"application/pdf","relation":"main_file"}],"date_updated":"2025-12-16T11:12:04Z","oa":"1","volume":20,"author":[{"first_name":"Stefan","id":"27271","full_name":"Schumacher, Stefan","orcid":"0000-0003-4042-4951","last_name":"Schumacher"},{"first_name":"Jens","last_name":"Förstner","orcid":"0000-0001-7059-9862","id":"158","full_name":"Förstner, Jens"},{"full_name":"Zrenner, Artur","id":"606","orcid":"0000-0002-5190-0944","last_name":"Zrenner","first_name":"Artur"},{"full_name":"Florian, Matthias","last_name":"Florian","first_name":"Matthias"},{"first_name":"Christopher","last_name":"Gies","full_name":"Gies, Christopher"},{"first_name":"Paul","full_name":"Gartner, Paul","last_name":"Gartner"},{"last_name":"Jahnke","full_name":"Jahnke, Frank","first_name":"Frank"}],"doi":"10.1364/oe.20.005335","has_accepted_license":"1","publication_identifier":{"issn":["1094-4087"]},"publication_status":"published","page":"5335-5342","intvolume":"        20","citation":{"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>.","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>.","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>","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>","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>.","short":"S. Schumacher, J. Förstner, A. Zrenner, M. Florian, C. Gies, P. Gartner, F. Jahnke, Optics Express 20 (2012) 5335–5342.","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} }"},"_id":"3974","project":[{"_id":"52","name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"department":[{"_id":"15"},{"_id":"290"},{"_id":"230"},{"_id":"297"},{"_id":"35"},{"_id":"170"},{"_id":"34"},{"_id":"61"},{"_id":"27"}],"user_id":"16199","article_type":"original","file_date_updated":"2018-09-04T19:10:02Z","type":"journal_article","urn":"39744","status":"public"},{"publisher":"IOP Publishing","date_updated":"2025-12-16T11:15:59Z","author":[{"first_name":"Polina","id":"60286","full_name":"Sharapova, Polina","last_name":"Sharapova"},{"full_name":"Tikhonova, O V","last_name":"Tikhonova","first_name":"O V"}],"date_created":"2023-01-26T14:33:02Z","volume":42,"title":"Dynamics of ionisation and entanglement in the 'atom + quantum electromagnetic field' system","doi":"10.1070/qe2012v042n03abeh014805","publication_status":"published","publication_identifier":{"issn":["1063-7818","1468-4799"]},"issue":"3","year":"2012","citation":{"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} }","short":"P. Sharapova, O.V. Tikhonova, Quantum Electronics 42 (2012) 199–207.","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>","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>.","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>.","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>"},"page":"199-207","intvolume":"        42","_id":"40405","user_id":"16199","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"],"language":[{"iso":"eng"}],"type":"journal_article","publication":"Quantum Electronics","status":"public"},{"year":"2012","issue":"59","title":"Optimization of the intensity enhancement in plasmonic nanoantennas","date_created":"2018-08-21T07:49:52Z","publisher":"AIP AIP Conference Proceedings 1475","file":[{"date_updated":"2018-08-21T07:54:07Z","creator":"hclaudia","date_created":"2018-08-21T07:54:07Z","file_size":958277,"file_id":"3966","file_name":"2012-11 Hildebrandt,Reichelt,Meier,Förstner_Optimization of the intensity enhancement in plasmonic nanoantennas.pdf","access_level":"closed","content_type":"application/pdf","success":1,"relation":"main_file"}],"abstract":[{"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.","lang":"eng"}],"language":[{"iso":"eng"}],"ddc":["530"],"keyword":["tet_topic_optical antenna","tet_topic_plasmonics"],"citation":{"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>","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>.","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>","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} }","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>.","short":"A. Hildebrandt, M. Reichelt, T. Meier, J. Förstner, in: AIP AIP Conference Proceedings 1475, 2012."},"publication_status":"published","has_accepted_license":"1","conference":{"name":"The Fith International Workshop 2012 (AIP conference Proceedings)","location":"Bad Honnef"},"doi":"10.1063/1.4750095","author":[{"first_name":"Andre","last_name":"Hildebrandt","full_name":"Hildebrandt, Andre"},{"id":"138","full_name":"Reichelt, Matthias","last_name":"Reichelt","first_name":"Matthias"},{"orcid":"0000-0001-8864-2072","last_name":"Meier","full_name":"Meier, Torsten","id":"344","first_name":"Torsten"},{"first_name":"Jens","id":"158","full_name":"Förstner, Jens","orcid":"0000-0001-7059-9862","last_name":"Förstner"}],"date_updated":"2025-12-16T11:20:08Z","status":"public","type":"conference","file_date_updated":"2018-08-21T07:54:07Z","user_id":"16199","department":[{"_id":"15"},{"_id":"230"},{"_id":"170"},{"_id":"61"},{"_id":"230"},{"_id":"35"},{"_id":"34"}],"_id":"3965"},{"ddc":["530"],"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."}],"file":[{"creator":"hclaudia","date_created":"2018-08-27T12:19:56Z","date_updated":"2018-08-27T12:19:56Z","file_id":"4137","access_level":"closed","file_name":"First-principles and empirical potential simulation study of intrinsic and carbon-related defects in silicon.pdf","file_size":283206,"content_type":"application/pdf","relation":"main_file","success":1}],"publication":"physica status solidi (c)","title":"First-principles and empirical potential simulation study of intrinsic and carbon-related defects in silicon","publisher":"Wiley","date_created":"2018-08-27T12:19:26Z","year":"2012","issue":"10-11","article_type":"original","file_date_updated":"2018-08-27T12:19:56Z","_id":"4136","user_id":"16199","department":[{"_id":"15"},{"_id":"286"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"}],"status":"public","type":"journal_article","doi":"10.1002/pssc.201200198","date_updated":"2025-12-16T11:28:58Z","author":[{"first_name":"F.","last_name":"Zirkelbach","full_name":"Zirkelbach, F."},{"first_name":"B.","last_name":"Stritzker","full_name":"Stritzker, B."},{"last_name":"Nordlund","full_name":"Nordlund, K.","first_name":"K."},{"first_name":"Wolf Gero","orcid":"0000-0002-2717-5076","last_name":"Schmidt","full_name":"Schmidt, Wolf Gero","id":"468"},{"first_name":"E.","full_name":"Rauls, E.","last_name":"Rauls"},{"last_name":"Lindner","full_name":"Lindner, Jörg K. N.","id":"20797","first_name":"Jörg K. N."}],"volume":9,"citation":{"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>","short":"F. Zirkelbach, B. Stritzker, K. Nordlund, W.G. Schmidt, E. Rauls, J.K.N. Lindner, Physica Status Solidi (c) 9 (2012) 1968–1973.","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>.","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>.","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>"},"intvolume":"         9","page":"1968-1973","publication_status":"published","publication_identifier":{"issn":["1862-6351"]},"has_accepted_license":"1"},{"citation":{"ieee":"X. Song, S. Declair, T. Meier, A. Zrenner, and J. Förstner, “Photonic crystal waveguides intersection for resonant quantum dot optical spectroscopy detection,” <i>Optics Express</i>, vol. 20, no. 13, pp. 14130–14136, 2012, doi: <a href=\"https://doi.org/10.1364/oe.20.014130\">10.1364/oe.20.014130</a>.","chicago":"Song, Xiaohong, Stefan Declair, Torsten Meier, Artur Zrenner, and Jens Förstner. “Photonic Crystal Waveguides Intersection for Resonant Quantum Dot Optical Spectroscopy Detection.” <i>Optics Express</i> 20, no. 13 (2012): 14130–36. <a href=\"https://doi.org/10.1364/oe.20.014130\">https://doi.org/10.1364/oe.20.014130</a>.","ama":"Song X, Declair S, Meier T, Zrenner A, Förstner J. Photonic crystal waveguides intersection for resonant quantum dot optical spectroscopy detection. <i>Optics Express</i>. 2012;20(13):14130-14136. doi:<a href=\"https://doi.org/10.1364/oe.20.014130\">10.1364/oe.20.014130</a>","apa":"Song, X., Declair, S., Meier, T., Zrenner, A., &#38; Förstner, J. (2012). Photonic crystal waveguides intersection for resonant quantum dot optical spectroscopy detection. <i>Optics Express</i>, <i>20</i>(13), 14130–14136. <a href=\"https://doi.org/10.1364/oe.20.014130\">https://doi.org/10.1364/oe.20.014130</a>","mla":"Song, Xiaohong, et al. “Photonic Crystal Waveguides Intersection for Resonant Quantum Dot Optical Spectroscopy Detection.” <i>Optics Express</i>, vol. 20, no. 13, The Optical Society, 2012, pp. 14130–36, doi:<a href=\"https://doi.org/10.1364/oe.20.014130\">10.1364/oe.20.014130</a>.","short":"X. Song, S. Declair, T. Meier, A. Zrenner, J. Förstner, Optics Express 20 (2012) 14130–14136.","bibtex":"@article{Song_Declair_Meier_Zrenner_Förstner_2012, title={Photonic crystal waveguides intersection for resonant quantum dot optical spectroscopy detection}, volume={20}, DOI={<a href=\"https://doi.org/10.1364/oe.20.014130\">10.1364/oe.20.014130</a>}, number={13}, journal={Optics Express}, publisher={The Optical Society}, author={Song, Xiaohong and Declair, Stefan and Meier, Torsten and Zrenner, Artur and Förstner, Jens}, year={2012}, pages={14130–14136} }"},"intvolume":"        20","page":"14130-14136","publication_status":"published","has_accepted_license":"1","publication_identifier":{"issn":["1094-4087"]},"doi":"10.1364/oe.20.014130","date_updated":"2025-12-16T11:33:40Z","author":[{"last_name":"Song","full_name":"Song, Xiaohong","first_name":"Xiaohong"},{"full_name":"Declair, Stefan","last_name":"Declair","first_name":"Stefan"},{"first_name":"Torsten","orcid":"0000-0001-8864-2072","last_name":"Meier","id":"344","full_name":"Meier, Torsten"},{"last_name":"Zrenner","orcid":"0000-0002-5190-0944","full_name":"Zrenner, Artur","id":"606","first_name":"Artur"},{"orcid":"0000-0001-7059-9862","last_name":"Förstner","full_name":"Förstner, Jens","id":"158","first_name":"Jens"}],"volume":20,"status":"public","type":"journal_article","article_type":"original","file_date_updated":"2018-08-21T08:43:44Z","_id":"3972","user_id":"16199","department":[{"_id":"15"},{"_id":"290"},{"_id":"293"},{"_id":"230"},{"_id":"170"},{"_id":"61"},{"_id":"35"},{"_id":"34"}],"year":"2012","issue":"13","title":"Photonic crystal waveguides intersection for resonant quantum dot optical spectroscopy detection","publisher":"The Optical Society","date_created":"2018-08-21T08:40:38Z","abstract":[{"lang":"eng","text":"Using a finite-difference time-domain method, we theoretically investigate the optical spectra of crossing perpendicular photonic crystal waveguides with quantum dots embedded in the central rod. The waveguides are designed so that the light mainly propagates along one direction and the cross talk is greatly reduced in the transverse direction. It is shown that when a quantum dot (QD) is resonant with the cavity, strong coupling can be observed via both the transmission and crosstalk spectrum. If the cavity is far off-resonant from the QD, both the cavity mode and the QD signal can be detected in the transverse direction since the laser field is greatly suppressed in this direction. This structure could have strong implications for resonant excitation and in-plane detection of QD optical spectroscopy."}],"file":[{"success":1,"relation":"main_file","content_type":"application/pdf","file_size":1437112,"access_level":"closed","file_name":"2012 Song,Declair,Meier,Zrenner,Förstner_Photnic crystal waveguides intersection for resonant quantum dot optical spectroscopy detection.pdf","file_id":"3973","date_updated":"2018-08-21T08:43:44Z","creator":"hclaudia","date_created":"2018-08-21T08:43:44Z"}],"publication":"Optics Express","ddc":["530"],"keyword":["tet_topic_phc","tet_topic_qd"],"language":[{"iso":"eng"}]},{"file":[{"relation":"main_file","success":1,"content_type":"application/pdf","file_id":"4327","file_name":"2012 Grynko,Meier T,Lindne,Niesler,Wegener,Förstner_Near-Field coupling and Second-Harmonic Generation in Split-Ring Resonator Arrays.pdf","access_level":"closed","file_size":330893,"creator":"hclaudia","date_created":"2018-08-30T10:33:33Z","date_updated":"2018-08-30T10:33:33Z"}],"abstract":[{"text":"We simulate the linear and nonlinear optical response from split-ring resonator (SRR) arrays to study collective effects between the constituent SRRs that determine spectral properties of the second harmonic generation (SHG). We apply the Discontinuous Galerkin Time Domain (DGTD) method and the hydrodynamic Maxwell-Vlasov model to calculate the SHG emission. Our model is able to qualitatively reproduce and explain the non-monotonic dependence of the spectral SHG transmission measured experimentally for SRR arrays with different lattice constants","lang":"eng"}],"language":[{"iso":"eng"}],"keyword":["tet_topic_meta","tet_topic_shg"],"ddc":["530"],"issue":"1","year":"2012","date_created":"2018-08-21T07:55:56Z","publisher":"AIP Conference Proceedings","title":"Near-field coupling and second-harmonic generation in split-ring resonator arrays","type":"conference","status":"public","department":[{"_id":"15"},{"_id":"230"},{"_id":"170"},{"_id":"293"},{"_id":"61"},{"_id":"35"},{"_id":"34"}],"user_id":"16199","_id":"3967","file_date_updated":"2018-08-30T10:33:33Z","has_accepted_license":"1","publication_status":"published","page":"128-130","intvolume":"      1475","citation":{"ieee":"Y. Grynko, T. Meier, S. Linden, F. B. P. Niesler, M. Wegener, and J. Förstner, “Near-field coupling and second-harmonic generation in split-ring resonator arrays,” Bad Honnef, 2012, vol. 1475, no. 1, pp. 128–130, doi: <a href=\"https://doi.org/10.1063/1.4750118\">10.1063/1.4750118</a>.","chicago":"Grynko, Yevgen, Torsten Meier, Stefan Linden, Fabian B. P. Niesler, Martin Wegener, and Jens Förstner. “Near-Field Coupling and Second-Harmonic Generation in Split-Ring Resonator Arrays,” 1475:128–30. AIP Conference Proceedings, 2012. <a href=\"https://doi.org/10.1063/1.4750118\">https://doi.org/10.1063/1.4750118</a>.","ama":"Grynko Y, Meier T, Linden S, Niesler FBP, Wegener M, Förstner J. Near-field coupling and second-harmonic generation in split-ring resonator arrays. In: Vol 1475. AIP Conference Proceedings; 2012:128-130. doi:<a href=\"https://doi.org/10.1063/1.4750118\">10.1063/1.4750118</a>","apa":"Grynko, Y., Meier, T., Linden, S., Niesler, F. B. P., Wegener, M., &#38; Förstner, J. (2012). <i>Near-field coupling and second-harmonic generation in split-ring resonator arrays</i>. <i>1475</i>(1), 128–130. <a href=\"https://doi.org/10.1063/1.4750118\">https://doi.org/10.1063/1.4750118</a>","short":"Y. Grynko, T. Meier, S. Linden, F.B.P. Niesler, M. Wegener, J. Förstner, in: AIP Conference Proceedings, 2012, pp. 128–130.","mla":"Grynko, Yevgen, et al. <i>Near-Field Coupling and Second-Harmonic Generation in Split-Ring Resonator Arrays</i>. no. 1, AIP Conference Proceedings, 2012, pp. 128–30, doi:<a href=\"https://doi.org/10.1063/1.4750118\">10.1063/1.4750118</a>.","bibtex":"@inproceedings{Grynko_Meier_Linden_Niesler_Wegener_Förstner_2012, title={Near-field coupling and second-harmonic generation in split-ring resonator arrays}, volume={1475}, DOI={<a href=\"https://doi.org/10.1063/1.4750118\">10.1063/1.4750118</a>}, number={1}, publisher={AIP Conference Proceedings}, author={Grynko, Yevgen and Meier, Torsten and Linden, Stefan and Niesler, Fabian B. P. and Wegener, Martin and Förstner, Jens}, year={2012}, pages={128–130} }"},"volume":1475,"author":[{"first_name":"Yevgen","id":"26059","full_name":"Grynko, Yevgen","last_name":"Grynko"},{"first_name":"Torsten","last_name":"Meier","orcid":"0000-0001-8864-2072","id":"344","full_name":"Meier, Torsten"},{"first_name":"Stefan","last_name":"Linden","full_name":"Linden, Stefan"},{"first_name":"Fabian B. P.","full_name":"Niesler, Fabian B. P.","last_name":"Niesler"},{"full_name":"Wegener, Martin","last_name":"Wegener","first_name":"Martin"},{"first_name":"Jens","orcid":"0000-0001-7059-9862","last_name":"Förstner","full_name":"Förstner, Jens","id":"158"}],"date_updated":"2025-12-16T11:34:33Z","doi":"10.1063/1.4750118","conference":{"name":"The Fith International Workshop 2012 (AIP conference Proceedings)","location":"Bad Honnef"}},{"doi":"10.1103/physrevlett.109.015502","volume":109,"author":[{"full_name":"Linden, S.","last_name":"Linden","first_name":"S."},{"full_name":"Niesler, F. B. P.","last_name":"Niesler","first_name":"F. B. P."},{"first_name":"Jens","last_name":"Förstner","orcid":"0000-0001-7059-9862","full_name":"Förstner, Jens","id":"158"},{"id":"26059","full_name":"Grynko, Yevgen","last_name":"Grynko","first_name":"Yevgen"},{"first_name":"Torsten","id":"344","full_name":"Meier, Torsten","orcid":"0000-0001-8864-2072","last_name":"Meier"},{"first_name":"M.","full_name":"Wegener, M.","last_name":"Wegener"}],"oa":"1","date_updated":"2025-12-16T16:42:04Z","intvolume":"       109","citation":{"apa":"Linden, S., Niesler, F. B. P., Förstner, J., Grynko, Y., Meier, T., &#38; Wegener, M. (2012). Collective Effects in Second-Harmonic Generation from Split-Ring-Resonator Arrays. <i>Physical Review Letters</i>, <i>109</i>(1), Article 015502. <a href=\"https://doi.org/10.1103/physrevlett.109.015502\">https://doi.org/10.1103/physrevlett.109.015502</a>","short":"S. Linden, F.B.P. Niesler, J. Förstner, Y. Grynko, T. Meier, M. Wegener, Physical Review Letters 109 (2012).","bibtex":"@article{Linden_Niesler_Förstner_Grynko_Meier_Wegener_2012, title={Collective Effects in Second-Harmonic Generation from Split-Ring-Resonator Arrays}, volume={109}, DOI={<a href=\"https://doi.org/10.1103/physrevlett.109.015502\">10.1103/physrevlett.109.015502</a>}, number={1015502}, journal={Physical Review Letters}, publisher={American Physical Society (APS)}, author={Linden, S. and Niesler, F. B. P. and Förstner, Jens and Grynko, Yevgen and Meier, Torsten and Wegener, M.}, year={2012} }","mla":"Linden, S., et al. “Collective Effects in Second-Harmonic Generation from Split-Ring-Resonator Arrays.” <i>Physical Review Letters</i>, vol. 109, no. 1, 015502, American Physical Society (APS), 2012, doi:<a href=\"https://doi.org/10.1103/physrevlett.109.015502\">10.1103/physrevlett.109.015502</a>.","ieee":"S. Linden, F. B. P. Niesler, J. Förstner, Y. Grynko, T. Meier, and M. Wegener, “Collective Effects in Second-Harmonic Generation from Split-Ring-Resonator Arrays,” <i>Physical Review Letters</i>, vol. 109, no. 1, Art. no. 015502, 2012, doi: <a href=\"https://doi.org/10.1103/physrevlett.109.015502\">10.1103/physrevlett.109.015502</a>.","chicago":"Linden, S., F. B. P. Niesler, Jens Förstner, Yevgen Grynko, Torsten Meier, and M. Wegener. “Collective Effects in Second-Harmonic Generation from Split-Ring-Resonator Arrays.” <i>Physical Review Letters</i> 109, no. 1 (2012). <a href=\"https://doi.org/10.1103/physrevlett.109.015502\">https://doi.org/10.1103/physrevlett.109.015502</a>.","ama":"Linden S, Niesler FBP, Förstner J, Grynko Y, Meier T, Wegener M. Collective Effects in Second-Harmonic Generation from Split-Ring-Resonator Arrays. <i>Physical Review Letters</i>. 2012;109(1). doi:<a href=\"https://doi.org/10.1103/physrevlett.109.015502\">10.1103/physrevlett.109.015502</a>"},"publication_identifier":{"issn":["0031-9007","1079-7114"]},"has_accepted_license":"1","publication_status":"published","file_date_updated":"2018-09-04T19:18:47Z","article_type":"original","article_number":"015502","department":[{"_id":"15"},{"_id":"293"},{"_id":"170"},{"_id":"230"},{"_id":"35"},{"_id":"34"},{"_id":"61"}],"user_id":"16199","_id":"3970","status":"public","urn":"39702","type":"journal_article","title":"Collective Effects in Second-Harmonic Generation from Split-Ring-Resonator Arrays","date_created":"2018-08-21T08:34:01Z","publisher":"American Physical Society (APS)","year":"2012","issue":"1","language":[{"iso":"eng"}],"keyword":["tet_topic_shg","tet_topic_meta"],"ddc":["530"],"file":[{"relation":"main_file","content_type":"application/pdf","file_id":"3971","access_level":"open_access","file_name":"2012 Niesler,Linden,Förstner,Grynko,Meier,Wegener_Collective Effects in Second-Harmonic Generation from Split-Ring-Resonator Arrays.pdf","file_size":1280595,"date_created":"2018-08-21T08:37:59Z","creator":"hclaudia","date_updated":"2018-09-04T19:18:47Z"}],"abstract":[{"text":"Optical experiments on second-harmonic generation from split-ring-resonator square arrays show a nonmonotonic dependence of the conversion efficiency on the lattice constant. This finding is interpreted in terms of a competition between dilution effects and linewidth or near-field changes due to interactions among the individual elements in the array.","lang":"eng"}],"publication":"Physical Review Letters"},{"issue":"1","publication_status":"published","citation":{"apa":"Meier, T., Mollet, C., &#38; Kunoth, A. (2012). Excitonic Eigenstates of Disordered Semiconductor Quantum Wires: Adaptive Wavelet Computation of Eigenvalues for the Electron-Hole Schrödinger Equation. <i>Communications in Computational Physics</i>, <i>14</i>(1), 21–47. <a href=\"https://doi.org/10.4208/cicp.081011.260712a\">https://doi.org/10.4208/cicp.081011.260712a</a>","mla":"Meier, Torsten, et al. “Excitonic Eigenstates of Disordered Semiconductor Quantum Wires: Adaptive Wavelet Computation of Eigenvalues for the Electron-Hole Schrödinger Equation.” <i>Communications in Computational Physics</i>, vol. 14, no. 1, Cambridge University Press, 2012, pp. 21–47, doi:<a href=\"https://doi.org/10.4208/cicp.081011.260712a\">10.4208/cicp.081011.260712a</a>.","short":"T. Meier, C. Mollet, A. Kunoth, Communications in Computational Physics 14 (2012) 21–47.","bibtex":"@article{Meier_Mollet_Kunoth_2012, title={Excitonic Eigenstates of Disordered Semiconductor Quantum Wires: Adaptive Wavelet Computation of Eigenvalues for the Electron-Hole Schrödinger Equation}, volume={14}, DOI={<a href=\"https://doi.org/10.4208/cicp.081011.260712a\">10.4208/cicp.081011.260712a</a>}, number={1}, journal={Communications in Computational Physics}, publisher={Cambridge University Press}, author={Meier, Torsten and Mollet, Christian and Kunoth, Angela}, year={2012}, pages={21–47} }","ama":"Meier T, Mollet C, Kunoth A. Excitonic Eigenstates of Disordered Semiconductor Quantum Wires: Adaptive Wavelet Computation of Eigenvalues for the Electron-Hole Schrödinger Equation. <i>Communications in Computational Physics</i>. 2012;14(1):21-47. doi:<a href=\"https://doi.org/10.4208/cicp.081011.260712a\">10.4208/cicp.081011.260712a</a>","chicago":"Meier, Torsten, Christian Mollet, and Angela Kunoth. “Excitonic Eigenstates of Disordered Semiconductor Quantum Wires: Adaptive Wavelet Computation of Eigenvalues for the Electron-Hole Schrödinger Equation.” <i>Communications in Computational Physics</i> 14, no. 1 (2012): 21–47. <a href=\"https://doi.org/10.4208/cicp.081011.260712a\">https://doi.org/10.4208/cicp.081011.260712a</a>.","ieee":"T. Meier, C. Mollet, and A. Kunoth, “Excitonic Eigenstates of Disordered Semiconductor Quantum Wires: Adaptive Wavelet Computation of Eigenvalues for the Electron-Hole Schrödinger Equation,” <i>Communications in Computational Physics</i>, vol. 14, no. 1, pp. 21–47, 2012, doi: <a href=\"https://doi.org/10.4208/cicp.081011.260712a\">10.4208/cicp.081011.260712a</a>."},"intvolume":"        14","page":"21-47","year":"2012","date_created":"2023-03-29T21:20:52Z","author":[{"full_name":"Meier, Torsten","id":"344","orcid":"0000-0001-8864-2072","last_name":"Meier","first_name":"Torsten"},{"first_name":"Christian","last_name":"Mollet","full_name":"Mollet, Christian"},{"first_name":"Angela","full_name":"Kunoth, Angela","last_name":"Kunoth"}],"volume":14,"publisher":"Cambridge University Press","date_updated":"2025-12-16T16:48:36Z","doi":"10.4208/cicp.081011.260712a","title":"Excitonic Eigenstates of Disordered Semiconductor Quantum Wires: Adaptive Wavelet Computation of Eigenvalues for the Electron-Hole Schrödinger Equation","type":"journal_article","publication":"Communications in Computational Physics","status":"public","abstract":[{"text":"A novel adaptive approach to compute the eigenenergies and eigenfunctions of the two-particle (electron-hole) Schrödinger equation including Coulomb attraction is presented. As an example, we analyze the energetically lowest exciton state of a thin one-dimensional semiconductor quantum wire in the presence of disorder which arises from the non-smooth interface between the wire and surrounding material. The eigenvalues of the corresponding Schrödinger equation, i.e., the one-dimensional exciton Wannier equation with disorder, correspond to the energies of excitons in the quantum wire. The wavefunctions, in turn, provide information on the optical properties of the wire.\r\n\r\nWe reformulate the problem of two interacting particles that both can move in one dimension as a stationary eigenvalue problem with two spacial dimensions in an appropriate weak form whose bilinear form is arranged to be symmetric, continuous, and coercive. The disorder of the wire is modelled by adding a potential in the Hamiltonian which is generated by normally distributed random numbers. The numerical solution of this problem is based on adaptive wavelets. Our scheme allows for a convergence proof of the resulting scheme together with complexity estimates. Numerical examples demonstrate the behavior of the smallest eigenvalue, the ground state energies of the exciton, together with the eigenstates depending on the strength and spatial correlation of disorder.","lang":"eng"}],"user_id":"16199","department":[{"_id":"293"},{"_id":"35"},{"_id":"15"},{"_id":"170"},{"_id":"230"}],"_id":"43200","language":[{"iso":"eng"}]},{"doi":"10.1080/02678292.2011.552742","title":"Investigations on the director field around microdisc resonators","volume":38,"author":[{"full_name":"Urbanski, Martin","last_name":"Urbanski","first_name":"Martin"},{"full_name":"Piegdon, Karoline A.","last_name":"Piegdon","first_name":"Karoline A."},{"first_name":"Cedrik","orcid":"https://orcid.org/0000-0002-3787-3572","last_name":"Meier","full_name":"Meier, Cedrik","id":"20798"},{"full_name":"Kitzerow, Heinz-Siegfried","id":"254","last_name":"Kitzerow","first_name":"Heinz-Siegfried"}],"date_created":"2019-02-04T14:37:20Z","date_updated":"2023-01-10T13:13:38Z","publisher":"Informa UK Limited","page":"475-482","intvolume":"        38","citation":{"ieee":"M. Urbanski, K. A. Piegdon, C. Meier, and H.-S. Kitzerow, “Investigations on the director field around microdisc resonators,” <i>Liquid Crystals</i>, vol. 38, no. 4, pp. 475–482, 2011, doi: <a href=\"https://doi.org/10.1080/02678292.2011.552742\">10.1080/02678292.2011.552742</a>.","chicago":"Urbanski, Martin, Karoline A. Piegdon, Cedrik Meier, and Heinz-Siegfried Kitzerow. “Investigations on the Director Field around Microdisc Resonators.” <i>Liquid Crystals</i> 38, no. 4 (2011): 475–82. <a href=\"https://doi.org/10.1080/02678292.2011.552742\">https://doi.org/10.1080/02678292.2011.552742</a>.","ama":"Urbanski M, Piegdon KA, Meier C, Kitzerow H-S. Investigations on the director field around microdisc resonators. <i>Liquid Crystals</i>. 2011;38(4):475-482. doi:<a href=\"https://doi.org/10.1080/02678292.2011.552742\">10.1080/02678292.2011.552742</a>","apa":"Urbanski, M., Piegdon, K. A., Meier, C., &#38; Kitzerow, H.-S. (2011). Investigations on the director field around microdisc resonators. <i>Liquid Crystals</i>, <i>38</i>(4), 475–482. <a href=\"https://doi.org/10.1080/02678292.2011.552742\">https://doi.org/10.1080/02678292.2011.552742</a>","bibtex":"@article{Urbanski_Piegdon_Meier_Kitzerow_2011, title={Investigations on the director field around microdisc resonators}, volume={38}, DOI={<a href=\"https://doi.org/10.1080/02678292.2011.552742\">10.1080/02678292.2011.552742</a>}, number={4}, journal={Liquid Crystals}, publisher={Informa UK Limited}, author={Urbanski, Martin and Piegdon, Karoline A. and Meier, Cedrik and Kitzerow, Heinz-Siegfried}, year={2011}, pages={475–482} }","short":"M. Urbanski, K.A. Piegdon, C. Meier, H.-S. Kitzerow, Liquid Crystals 38 (2011) 475–482.","mla":"Urbanski, Martin, et al. “Investigations on the Director Field around Microdisc Resonators.” <i>Liquid Crystals</i>, vol. 38, no. 4, Informa UK Limited, 2011, pp. 475–82, doi:<a href=\"https://doi.org/10.1080/02678292.2011.552742\">10.1080/02678292.2011.552742</a>."},"year":"2011","issue":"4","publication_identifier":{"issn":["0267-8292","1366-5855"]},"publication_status":"published","language":[{"iso":"eng"}],"department":[{"_id":"15"},{"_id":"230"},{"_id":"35"},{"_id":"287"},{"_id":"313"}],"user_id":"14931","_id":"7495","status":"public","publication":"Liquid Crystals","type":"journal_article"},{"type":"dissertation","citation":{"apa":"Mracek, B. (2011). <i>Untersuchung des dynamischen Verhaltens gekoppelter piezoelektrischer Ultraschallmotoren mit Stoßkontakt: Vol. Band 297</i>. Verlagsschriftenreihe des Heinz Nixdorf Instituts, Paderborn; Band 297.","mla":"Mracek, Boris. <i>Untersuchung des dynamischen Verhaltens gekoppelter piezoelektrischer Ultraschallmotoren mit Stoßkontakt</i>. Verlagsschriftenreihe des Heinz Nixdorf Instituts, Paderborn; Band 297, 2011.","short":"B. Mracek, Untersuchung des dynamischen Verhaltens gekoppelter piezoelektrischer Ultraschallmotoren mit Stoßkontakt, Verlagsschriftenreihe des Heinz Nixdorf Instituts, Paderborn; Band 297, 2011.","bibtex":"@book{Mracek_2011, title={Untersuchung des dynamischen Verhaltens gekoppelter piezoelektrischer Ultraschallmotoren mit Stoßkontakt}, volume={Band 297}, publisher={Verlagsschriftenreihe des Heinz Nixdorf Instituts, Paderborn; Band 297}, author={Mracek, Boris}, year={2011} }","ama":"Mracek B. <i>Untersuchung des dynamischen Verhaltens gekoppelter piezoelektrischer Ultraschallmotoren mit Stoßkontakt</i>. Vol Band 297. Verlagsschriftenreihe des Heinz Nixdorf Instituts, Paderborn; Band 297; 2011.","chicago":"Mracek, Boris. <i>Untersuchung des dynamischen Verhaltens gekoppelter piezoelektrischer Ultraschallmotoren mit Stoßkontakt</i>. Vol. Band 297. Verlagsschriftenreihe des Heinz Nixdorf Instituts, Paderborn; Band 297, 2011.","ieee":"B. Mracek, <i>Untersuchung des dynamischen Verhaltens gekoppelter piezoelektrischer Ultraschallmotoren mit Stoßkontakt</i>, vol. Band 297. Verlagsschriftenreihe des Heinz Nixdorf Instituts, Paderborn; Band 297, 2011."},"status":"public","year":"2011","author":[{"full_name":"Mracek, Boris","last_name":"Mracek","first_name":"Boris"}],"user_id":"5786","date_created":"2021-10-27T10:58:38Z","department":[{"_id":"26"}],"volume":"Band 297","date_updated":"2024-04-02T10:26:48Z","publisher":"Verlagsschriftenreihe des Heinz Nixdorf Instituts, Paderborn; Band 297","_id":"26976","language":[{"iso":"ger"}],"title":"Untersuchung des dynamischen Verhaltens gekoppelter piezoelektrischer Ultraschallmotoren mit Stoßkontakt"},{"status":"public","type":"dissertation","language":[{"iso":"eng"}],"department":[{"_id":"153"},{"_id":"26"}],"series_title":"Verlagsschriftenreihe des Heinz Nixdorf Instituts, Paderborn","user_id":"1112","_id":"23195","intvolume":"       299","citation":{"mla":"Bruns, Torsten. <i>Trajektorienplanung Mittels Diskretisierung Und Kombinatorischer Optimierung Am Beispiel Des Autonomen Kreuzungsmanagements Für Kraftfahrzeuge.</i> Universität Paderborn, 2011.","bibtex":"@book{Bruns_2011, series={Verlagsschriftenreihe des Heinz Nixdorf Instituts, Paderborn}, title={Trajektorienplanung mittels Diskretisierung und kombinatorischer Optimierung am Beispiel des autonomen Kreuzungsmanagements für Kraftfahrzeuge.}, volume={299}, publisher={Universität Paderborn}, author={Bruns, Torsten}, year={2011}, collection={Verlagsschriftenreihe des Heinz Nixdorf Instituts, Paderborn} }","short":"T. Bruns, Trajektorienplanung Mittels Diskretisierung Und Kombinatorischer Optimierung Am Beispiel Des Autonomen Kreuzungsmanagements Für Kraftfahrzeuge., Universität Paderborn, 2011.","apa":"Bruns, T. (2011). <i>Trajektorienplanung mittels Diskretisierung und kombinatorischer Optimierung am Beispiel des autonomen Kreuzungsmanagements für Kraftfahrzeuge.</i> (Vol. 299). Universität Paderborn.","ieee":"T. Bruns, <i>Trajektorienplanung mittels Diskretisierung und kombinatorischer Optimierung am Beispiel des autonomen Kreuzungsmanagements für Kraftfahrzeuge.</i>, vol. 299. Universität Paderborn, 2011.","chicago":"Bruns, Torsten. <i>Trajektorienplanung Mittels Diskretisierung Und Kombinatorischer Optimierung Am Beispiel Des Autonomen Kreuzungsmanagements Für Kraftfahrzeuge.</i> Vol. 299. Verlagsschriftenreihe Des Heinz Nixdorf Instituts, Paderborn. Universität Paderborn, 2011.","ama":"Bruns T. <i>Trajektorienplanung Mittels Diskretisierung Und Kombinatorischer Optimierung Am Beispiel Des Autonomen Kreuzungsmanagements Für Kraftfahrzeuge.</i> Vol 299. Universität Paderborn; 2011."},"year":"2011","title":"Trajektorienplanung mittels Diskretisierung und kombinatorischer Optimierung am Beispiel des autonomen Kreuzungsmanagements für Kraftfahrzeuge.","volume":299,"author":[{"last_name":"Bruns","full_name":"Bruns, Torsten","first_name":"Torsten"}],"date_created":"2021-08-09T07:36:30Z","date_updated":"2024-07-12T12:01:13Z","publisher":"Universität Paderborn"},{"language":[{"iso":"eng"}],"keyword":["Condensed Matter Physics","General Materials Science","General Chemistry"],"user_id":"254","department":[{"_id":"313"},{"_id":"230"},{"_id":"638"}],"_id":"39733","status":"public","type":"journal_article","publication":"Molecular Crystals and Liquid Crystals","doi":"10.1080/15421406.2011.572798","title":"Liquid Crystal/Polymer Composites: Kinetic Study of the Grating Formation in Holographic Polymer-Dispersed Liquid Crystals","author":[{"last_name":"Redler","full_name":"Redler, Andreas","first_name":"Andreas"},{"full_name":"Hoischen, Andreas","last_name":"Hoischen","first_name":"Andreas"},{"first_name":"Heinz-Siegfried","last_name":"Kitzerow","id":"254","full_name":"Kitzerow, Heinz-Siegfried"}],"date_created":"2023-01-24T18:41:39Z","volume":547,"publisher":"Informa UK Limited","date_updated":"2023-01-24T18:42:07Z","citation":{"ama":"Redler A, Hoischen A, Kitzerow H-S. Liquid Crystal/Polymer Composites: Kinetic Study of the Grating Formation in Holographic Polymer-Dispersed Liquid Crystals. <i>Molecular Crystals and Liquid Crystals</i>. 2011;547(1):97/[1787]-107/[1797]. doi:<a href=\"https://doi.org/10.1080/15421406.2011.572798\">10.1080/15421406.2011.572798</a>","ieee":"A. Redler, A. Hoischen, and H.-S. Kitzerow, “Liquid Crystal/Polymer Composites: Kinetic Study of the Grating Formation in Holographic Polymer-Dispersed Liquid Crystals,” <i>Molecular Crystals and Liquid Crystals</i>, vol. 547, no. 1, p. 97/[1787]-107/[1797], 2011, doi: <a href=\"https://doi.org/10.1080/15421406.2011.572798\">10.1080/15421406.2011.572798</a>.","chicago":"Redler, Andreas, Andreas Hoischen, and Heinz-Siegfried Kitzerow. “Liquid Crystal/Polymer Composites: Kinetic Study of the Grating Formation in Holographic Polymer-Dispersed Liquid Crystals.” <i>Molecular Crystals and Liquid Crystals</i> 547, no. 1 (2011): 97/[1787]-107/[1797]. <a href=\"https://doi.org/10.1080/15421406.2011.572798\">https://doi.org/10.1080/15421406.2011.572798</a>.","apa":"Redler, A., Hoischen, A., &#38; Kitzerow, H.-S. (2011). Liquid Crystal/Polymer Composites: Kinetic Study of the Grating Formation in Holographic Polymer-Dispersed Liquid Crystals. <i>Molecular Crystals and Liquid Crystals</i>, <i>547</i>(1), 97/[1787]-107/[1797]. <a href=\"https://doi.org/10.1080/15421406.2011.572798\">https://doi.org/10.1080/15421406.2011.572798</a>","bibtex":"@article{Redler_Hoischen_Kitzerow_2011, title={Liquid Crystal/Polymer Composites: Kinetic Study of the Grating Formation in Holographic Polymer-Dispersed Liquid Crystals}, volume={547}, DOI={<a href=\"https://doi.org/10.1080/15421406.2011.572798\">10.1080/15421406.2011.572798</a>}, number={1}, journal={Molecular Crystals and Liquid Crystals}, publisher={Informa UK Limited}, author={Redler, Andreas and Hoischen, Andreas and Kitzerow, Heinz-Siegfried}, year={2011}, pages={97/[1787]-107/[1797]} }","mla":"Redler, Andreas, et al. “Liquid Crystal/Polymer Composites: Kinetic Study of the Grating Formation in Holographic Polymer-Dispersed Liquid Crystals.” <i>Molecular Crystals and Liquid Crystals</i>, vol. 547, no. 1, Informa UK Limited, 2011, p. 97/[1787]-107/[1797], doi:<a href=\"https://doi.org/10.1080/15421406.2011.572798\">10.1080/15421406.2011.572798</a>.","short":"A. Redler, A. Hoischen, H.-S. Kitzerow, Molecular Crystals and Liquid Crystals 547 (2011) 97/[1787]-107/[1797]."},"intvolume":"       547","page":"97/[1787]-107/[1797]","year":"2011","issue":"1","publication_status":"published","publication_identifier":{"issn":["1542-1406","1563-5287"]}}]