[{"oa":"1","citation":{"mla":"Driben, R., et al. “Precession and Nutation Dynamics of Nonlinearly Coupled Non-Coaxial Three-Dimensional Matter Wave Vortices.” <i>Scientific Reports</i>, vol. 6, 22758, 2016, doi:<a href=\"https://doi.org/10.1038/srep22758\">10.1038/srep22758</a>.","ama":"Driben R, Konotop VV, Meier T. Precession and nutation dynamics of nonlinearly coupled non-coaxial three-dimensional matter wave vortices. <i>Scientific Reports</i>. 2016;6. doi:<a href=\"https://doi.org/10.1038/srep22758\">10.1038/srep22758</a>","bibtex":"@article{Driben_Konotop_Meier_2016, title={Precession and nutation dynamics of nonlinearly coupled non-coaxial three-dimensional matter wave vortices}, volume={6}, DOI={<a href=\"https://doi.org/10.1038/srep22758\">10.1038/srep22758</a>}, number={22758}, journal={Scientific Reports}, author={Driben, R. and Konotop, V. V. and Meier, Torsten}, year={2016} }","apa":"Driben, R., Konotop, V. V., &#38; Meier, T. (2016). Precession and nutation dynamics of nonlinearly coupled non-coaxial three-dimensional matter wave vortices. <i>Scientific Reports</i>, <i>6</i>, Article 22758. <a href=\"https://doi.org/10.1038/srep22758\">https://doi.org/10.1038/srep22758</a>","ieee":"R. Driben, V. V. Konotop, and T. Meier, “Precession and nutation dynamics of nonlinearly coupled non-coaxial three-dimensional matter wave vortices,” <i>Scientific Reports</i>, vol. 6, Art. no. 22758, 2016, doi: <a href=\"https://doi.org/10.1038/srep22758\">10.1038/srep22758</a>.","chicago":"Driben, R., V. V. Konotop, and Torsten Meier. “Precession and Nutation Dynamics of Nonlinearly Coupled Non-Coaxial Three-Dimensional Matter Wave Vortices.” <i>Scientific Reports</i> 6 (2016). <a href=\"https://doi.org/10.1038/srep22758\">https://doi.org/10.1038/srep22758</a>.","short":"R. Driben, V.V. Konotop, T. Meier, Scientific Reports 6 (2016)."},"funded_apc":"1","_id":"13916","volume":6,"user_id":"49063","status":"public","date_created":"2019-10-18T08:30:23Z","department":[{"_id":"15"},{"_id":"170"},{"_id":"293"},{"_id":"230"}],"type":"journal_article","publication":"Scientific Reports","abstract":[{"text":"Nonlinearity is the driving force for numerous important effects in nature typically showing transitions between different regimes, regular, chaotic or catastrophic behavior. Localized nonlinear modes have been the focus of intense research in areas such as fluid and gas dynamics, photonics, atomic and solid state physics etc. Due to the richness of the behavior of nonlinear systems and due to the severe numerical demands of accurate three-dimensional (3D) numerical simulations presently only little knowledge is available on the dynamics of complex nonlinear modes in 3D. Here, we investigate the dynamics of 3D non-coaxial matter wave vortices that are trapped in a parabolic potential and interact via a repulsive nonlinearity. Our numerical simulations demonstrate the existence of an unexpected and fascinating nonlinear regime that starts immediately when the nonlinearity is switched-on and is characterized by a smooth dynamics representing torque-free precession with nutations. The reported motion is proven to be robust regarding various effects such as the number of particles, dissipation and trap deformations and thus should be observable in suitably designed experiments. Since our theoretical approach, i.e., coupled nonlinear Schrödinger equations, is quite generic, we expect that the obtained novel dynamical behavior should also exist in other nonlinear systems.","lang":"eng"}],"language":[{"iso":"eng"}],"main_file_link":[{"url":"https://www.nature.com/articles/srep22758","open_access":"1"}],"article_number":"22758","doi":"10.1038/srep22758","author":[{"full_name":"Driben, R.","last_name":"Driben","first_name":"R."},{"first_name":"V. V.","last_name":"Konotop","full_name":"Konotop, V. V."},{"id":"344","full_name":"Meier, Torsten","first_name":"Torsten","last_name":"Meier","orcid":"0000-0001-8864-2072"}],"publication_identifier":{"issn":["2045-2322"]},"year":"2016","title":"Precession and nutation dynamics of nonlinearly coupled non-coaxial three-dimensional matter wave vortices","intvolume":"         6","date_updated":"2023-04-16T21:22:52Z","publication_status":"published"},{"type":"journal_article","department":[{"_id":"15"},{"_id":"170"},{"_id":"293"},{"_id":"230"},{"_id":"429"}],"date_created":"2019-10-18T08:38:50Z","abstract":[{"lang":"eng","text":"We investigate the transient optical response in high-quality Cd0.88Zn0.12Te crystals in the regime of slow light propagation on the lower exciton-polariton branch. Femtosecond photoexcitation leads to very substantial transmission changes in a ∼10-meV broad spectral range within the transparency window of the unexcited semiconductor. These nonlinear optical signatures decay on picosecond time scales governed by carrier thermalization and recombination. The temporal and spectral dependence indicate the dynamical optical response as arising from excitation-induced dephasing and perturbed free induction decay. Model simulations for the optical response taking into account the actual exciton-polariton dispersion and excitation-induced dephasing of a nonlinearly driven two-level system support this interpretation."}],"publication":"Physical Review B","issue":"7","doi":"10.1103/physrevb.93.075201","language":[{"iso":"eng"}],"date_updated":"2023-04-16T21:23:54Z","publication_status":"published","intvolume":"        93","year":"2016","title":"Ultrafast dynamical response of the lower exciton-polariton branch in CdZnTe","author":[{"full_name":"Lohrenz, J.","first_name":"J.","last_name":"Lohrenz"},{"full_name":"Melzer, S.","last_name":"Melzer","first_name":"S."},{"full_name":"Ruppert, C.","first_name":"C.","last_name":"Ruppert"},{"last_name":"Akimov","first_name":"I. A.","full_name":"Akimov, I. A."},{"first_name":"H.","last_name":"Mariette","full_name":"Mariette, H."},{"id":"138","full_name":"Reichelt, Matthias","last_name":"Reichelt","first_name":"Matthias"},{"last_name":"Trautmann","first_name":"Alexander","full_name":"Trautmann, Alexander","id":"38163"},{"id":"344","last_name":"Meier","orcid":"0000-0001-8864-2072","first_name":"Torsten","full_name":"Meier, Torsten"},{"full_name":"Betz, M.","first_name":"M.","last_name":"Betz"}],"publication_identifier":{"issn":["2469-9950","2469-9969"]},"project":[{"name":"TRR 142","_id":"53"},{"_id":"54","name":"TRR 142 - Project Area A"},{"_id":"59","name":"TRR 142 - Subproject A2"},{"_id":"64","name":"TRR 142 - Subproject A7"},{"name":"TRR 142 - Project Area C","_id":"56"},{"_id":"72","name":"TRR 142 - Subproject C2"},{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"},{"_id":"52","name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"citation":{"mla":"Lohrenz, J., et al. “Ultrafast Dynamical Response of the Lower Exciton-Polariton Branch in CdZnTe.” <i>Physical Review B</i>, vol. 93, no. 7, 2016, doi:<a href=\"https://doi.org/10.1103/physrevb.93.075201\">10.1103/physrevb.93.075201</a>.","ama":"Lohrenz J, Melzer S, Ruppert C, et al. Ultrafast dynamical response of the lower exciton-polariton branch in CdZnTe. <i>Physical Review B</i>. 2016;93(7). doi:<a href=\"https://doi.org/10.1103/physrevb.93.075201\">10.1103/physrevb.93.075201</a>","bibtex":"@article{Lohrenz_Melzer_Ruppert_Akimov_Mariette_Reichelt_Trautmann_Meier_Betz_2016, title={Ultrafast dynamical response of the lower exciton-polariton branch in CdZnTe}, volume={93}, DOI={<a href=\"https://doi.org/10.1103/physrevb.93.075201\">10.1103/physrevb.93.075201</a>}, number={7}, journal={Physical Review B}, author={Lohrenz, J. and Melzer, S. and Ruppert, C. and Akimov, I. A. and Mariette, H. and Reichelt, Matthias and Trautmann, Alexander and Meier, Torsten and Betz, M.}, year={2016} }","apa":"Lohrenz, J., Melzer, S., Ruppert, C., Akimov, I. A., Mariette, H., Reichelt, M., Trautmann, A., Meier, T., &#38; Betz, M. (2016). Ultrafast dynamical response of the lower exciton-polariton branch in CdZnTe. <i>Physical Review B</i>, <i>93</i>(7). <a href=\"https://doi.org/10.1103/physrevb.93.075201\">https://doi.org/10.1103/physrevb.93.075201</a>","ieee":"J. Lohrenz <i>et al.</i>, “Ultrafast dynamical response of the lower exciton-polariton branch in CdZnTe,” <i>Physical Review B</i>, vol. 93, no. 7, 2016, doi: <a href=\"https://doi.org/10.1103/physrevb.93.075201\">10.1103/physrevb.93.075201</a>.","chicago":"Lohrenz, J., S. Melzer, C. Ruppert, I. A. Akimov, H. Mariette, Matthias Reichelt, Alexander Trautmann, Torsten Meier, and M. Betz. “Ultrafast Dynamical Response of the Lower Exciton-Polariton Branch in CdZnTe.” <i>Physical Review B</i> 93, no. 7 (2016). <a href=\"https://doi.org/10.1103/physrevb.93.075201\">https://doi.org/10.1103/physrevb.93.075201</a>.","short":"J. Lohrenz, S. Melzer, C. Ruppert, I.A. Akimov, H. Mariette, M. Reichelt, A. Trautmann, T. Meier, M. Betz, Physical Review B 93 (2016)."},"user_id":"49063","volume":93,"_id":"13920","funded_apc":"1","status":"public"},{"publication":"Modeling and Measuring Competencies in Higher Education – Validation and Methodological Innovations (KoKoHs) – Overview of the Research Projects (KoKoHs Working Papers, 11)","citation":{"short":"C. Vogelsang, A. Borowski, H.E. Fischer, C. Kulgemeyer, P. Reinhold, J. Riese, H. Schecker, in: H.A. Pant, O. Zlatkin-Troitschanskaia , C. Lautenbach, M. Toepper, D. Molerov (Eds.), Modeling and Measuring Competencies in Higher Education – Validation and Methodological Innovations (KoKoHs) – Overview of the Research Projects (KoKoHs Working Papers, 11), 2016, pp. 35–38.","chicago":"Vogelsang, Christoph, Andreas Borowski, Hans E. Fischer, Christoph Kulgemeyer, Peter Reinhold, Josef Riese, and Horst Schecker. “ProfiLe-P+ – Professional Competence in Academic Physics Teacher Education.” In <i>Modeling and Measuring Competencies in Higher Education – Validation and Methodological Innovations (KoKoHs) – Overview of the Research Projects (KoKoHs Working Papers, 11)</i>, edited by Hans Anand Pant, Olga Zlatkin-Troitschanskaia , Corinna Lautenbach, Miriam Toepper, and Dimitar Molerov, 35–38, 2016.","ieee":"C. Vogelsang <i>et al.</i>, “ProfiLe-P+ – Professional Competence in Academic Physics Teacher Education,” in <i>Modeling and Measuring Competencies in Higher Education – Validation and Methodological Innovations (KoKoHs) – Overview of the Research Projects (KoKoHs Working Papers, 11)</i>, H. A. Pant, O. Zlatkin-Troitschanskaia , C. Lautenbach, M. Toepper, and D. Molerov, Eds. 2016, pp. 35–38.","apa":"Vogelsang, C., Borowski, A., Fischer, H. E., Kulgemeyer, C., Reinhold, P., Riese, J., &#38; Schecker, H. (2016). ProfiLe-P+ – Professional Competence in Academic Physics Teacher Education. In H. A. Pant, O. Zlatkin-Troitschanskaia , C. Lautenbach, M. Toepper, &#38; D. Molerov (Eds.), <i>Modeling and Measuring Competencies in Higher Education – Validation and Methodological Innovations (KoKoHs) – Overview of the Research Projects (KoKoHs Working Papers, 11)</i> (pp. 35–38).","bibtex":"@inbook{Vogelsang_Borowski_Fischer_Kulgemeyer_Reinhold_Riese_Schecker_2016, title={ProfiLe-P+ – Professional Competence in Academic Physics Teacher Education}, booktitle={Modeling and Measuring Competencies in Higher Education – Validation and Methodological Innovations (KoKoHs) – Overview of the Research Projects (KoKoHs Working Papers, 11)}, author={Vogelsang, Christoph and Borowski, Andreas and Fischer, Hans E. and Kulgemeyer, Christoph and Reinhold, Peter and Riese, Josef and Schecker, Horst}, editor={Pant, Hans Anand and Zlatkin-Troitschanskaia , Olga and Lautenbach, Corinna and Toepper, Miriam and Molerov, Dimitar}, year={2016}, pages={35–38} }","ama":"Vogelsang C, Borowski A, Fischer HE, et al. ProfiLe-P+ – Professional Competence in Academic Physics Teacher Education. In: Pant HA, Zlatkin-Troitschanskaia  O, Lautenbach C, Toepper M, Molerov D, eds. <i>Modeling and Measuring Competencies in Higher Education – Validation and Methodological Innovations (KoKoHs) – Overview of the Research Projects (KoKoHs Working Papers, 11)</i>. ; 2016:35-38.","mla":"Vogelsang, Christoph, et al. “ProfiLe-P+ – Professional Competence in Academic Physics Teacher Education.” <i>Modeling and Measuring Competencies in Higher Education – Validation and Methodological Innovations (KoKoHs) – Overview of the Research Projects (KoKoHs Working Papers, 11)</i>, edited by Hans Anand Pant et al., 2016, pp. 35–38."},"type":"book_chapter","department":[{"_id":"299"}],"date_created":"2023-06-06T17:55:34Z","date_updated":"2023-06-07T07:50:42Z","status":"public","year":"2016","title":"ProfiLe-P+ – Professional Competence in Academic Physics Teacher Education","author":[{"id":"4245","last_name":"Vogelsang","first_name":"Christoph","full_name":"Vogelsang, Christoph"},{"last_name":"Borowski","first_name":"Andreas","full_name":"Borowski, Andreas"},{"first_name":"Hans E.","last_name":"Fischer","full_name":"Fischer, Hans E."},{"full_name":"Kulgemeyer, Christoph","first_name":"Christoph","last_name":"Kulgemeyer","id":"84533"},{"first_name":"Peter","last_name":"Reinhold","full_name":"Reinhold, Peter","id":"416"},{"full_name":"Riese, Josef","last_name":"Riese","first_name":"Josef","orcid":"0000-0003-2927-2619","id":"429"},{"full_name":"Schecker, Horst","first_name":"Horst","last_name":"Schecker"}],"user_id":"84746","editor":[{"full_name":"Pant, Hans Anand","first_name":"Hans Anand","last_name":"Pant"},{"full_name":"Zlatkin-Troitschanskaia , Olga","first_name":"Olga","last_name":"Zlatkin-Troitschanskaia "},{"full_name":"Lautenbach, Corinna","last_name":"Lautenbach","first_name":"Corinna"},{"last_name":"Toepper","first_name":"Miriam","full_name":"Toepper, Miriam"},{"first_name":"Dimitar","last_name":"Molerov","full_name":"Molerov, Dimitar"}],"page":"35-38","_id":"45496","language":[{"iso":"eng"}]},{"date_updated":"2023-06-09T13:47:18Z","author":[{"id":"429","full_name":"Riese, Josef","orcid":"0000-0003-2927-2619","last_name":"Riese","first_name":"Josef"},{"id":"9605","first_name":"Yvonne","last_name":"Gramzow","full_name":"Gramzow, Yvonne"},{"last_name":"Reinhold","first_name":"Peter","full_name":"Reinhold, Peter","id":"416"}],"status":"public","title":"Analysen zum fachdidaktischen Wissen von angehenden Physiklehrkräften","year":"2016","editor":[{"last_name":"Maurer","first_name":"Christian","full_name":"Maurer, Christian"}],"user_id":"84746","_id":"45548","language":[{"iso":"ger"}],"page":"187-189","citation":{"chicago":"Riese, Josef, Yvonne Gramzow, and Peter Reinhold. “Analysen zum fachdidaktischen Wissen von angehenden Physiklehrkräften.” In <i>Authentizität und Lernen - das Fach in der Fachdidaktik. Gesellschaft für Didaktik der Chemie und Physik. Jahrestagung in Berlin 2015</i>, edited by Christian Maurer, 187–89, 2016.","short":"J. Riese, Y. Gramzow, P. Reinhold, in: C. Maurer (Ed.), Authentizität und Lernen - das Fach in der Fachdidaktik. Gesellschaft für Didaktik der Chemie und Physik. Jahrestagung in Berlin 2015, 2016, pp. 187–189.","ieee":"J. Riese, Y. Gramzow, and P. Reinhold, “Analysen zum fachdidaktischen Wissen von angehenden Physiklehrkräften,” in <i>Authentizität und Lernen - das Fach in der Fachdidaktik. Gesellschaft für Didaktik der Chemie und Physik. Jahrestagung in Berlin 2015</i>, 2016, pp. 187–189.","apa":"Riese, J., Gramzow, Y., &#38; Reinhold, P. (2016). Analysen zum fachdidaktischen Wissen von angehenden Physiklehrkräften. In C. Maurer (Ed.), <i>Authentizität und Lernen - das Fach in der Fachdidaktik. Gesellschaft für Didaktik der Chemie und Physik. Jahrestagung in Berlin 2015</i> (pp. 187–189).","bibtex":"@inproceedings{Riese_Gramzow_Reinhold_2016, title={Analysen zum fachdidaktischen Wissen von angehenden Physiklehrkräften}, booktitle={Authentizität und Lernen - das Fach in der Fachdidaktik. Gesellschaft für Didaktik der Chemie und Physik. Jahrestagung in Berlin 2015}, author={Riese, Josef and Gramzow, Yvonne and Reinhold, Peter}, editor={Maurer, Christian}, year={2016}, pages={187–189} }","ama":"Riese J, Gramzow Y, Reinhold P. Analysen zum fachdidaktischen Wissen von angehenden Physiklehrkräften. In: Maurer C, ed. <i>Authentizität und Lernen - das Fach in der Fachdidaktik. Gesellschaft für Didaktik der Chemie und Physik. Jahrestagung in Berlin 2015</i>. ; 2016:187-189.","mla":"Riese, Josef, et al. “Analysen zum fachdidaktischen Wissen von angehenden Physiklehrkräften.” <i>Authentizität und Lernen - das Fach in der Fachdidaktik. Gesellschaft für Didaktik der Chemie und Physik. Jahrestagung in Berlin 2015</i>, edited by Christian Maurer, 2016, pp. 187–89."},"publication":"Authentizität und Lernen - das Fach in der Fachdidaktik. Gesellschaft für Didaktik der Chemie und Physik. Jahrestagung in Berlin 2015","department":[{"_id":"299"}],"type":"conference","date_created":"2023-06-08T16:17:37Z"},{"date_updated":"2023-06-09T13:50:09Z","author":[{"id":"4245","first_name":"Christoph","last_name":"Vogelsang","full_name":"Vogelsang, Christoph"},{"first_name":"Andreas","last_name":"Borowski","full_name":"Borowski, Andreas"},{"first_name":"Hans E.","last_name":"Fischer","full_name":"Fischer, Hans E."},{"first_name":"Christoph","last_name":"Kulgemeyer","full_name":"Kulgemeyer, Christoph","id":"84533"},{"full_name":"Reinhold, Peter","last_name":"Reinhold","first_name":"Peter","id":"416"},{"orcid":"0000-0003-2927-2619","first_name":"Josef","last_name":"Riese","full_name":"Riese, Josef","id":"429"},{"last_name":"Schecker","first_name":"Horst","full_name":"Schecker, Horst"}],"title":"ProfiLe- P+ – Professionskompetenz im Lehramtsstudium Physik","status":"public","year":"2016","editor":[{"full_name":"Zlatkin-Troitschanskaia, Olga","first_name":"Olga","last_name":"Zlatkin-Troitschanskaia"},{"full_name":"Pant, Hans Anand","first_name":"Hans Anand","last_name":"Pant"},{"full_name":"Lautenbach, Corinna","first_name":"Corinna","last_name":"Lautenbach"},{"last_name":"Toepper","first_name":"Miriam","full_name":"Toepper, Miriam"}],"user_id":"84746","language":[{"iso":"ger"}],"_id":"45499","page":"39-43","citation":{"ieee":"C. Vogelsang <i>et al.</i>, “ProfiLe- P+ – Professionskompetenz im Lehramtsstudium Physik,” in <i>Kompetenzmodelle und Instrumente der Kompetenzerfassung im Hochschulsektor – Validierungen und methodische Innovationen (KoKoHs): Übersicht der Forschungsprojekte (KoKoHs Working Papers, 10)</i>, O. Zlatkin-Troitschanskaia, H. A. Pant, C. Lautenbach, and M. Toepper, Eds. 2016, pp. 39–43.","apa":"Vogelsang, C., Borowski, A., Fischer, H. E., Kulgemeyer, C., Reinhold, P., Riese, J., &#38; Schecker, H. (2016). ProfiLe- P+ – Professionskompetenz im Lehramtsstudium Physik. In O. Zlatkin-Troitschanskaia, H. A. Pant, C. Lautenbach, &#38; M. Toepper (Eds.), <i>Kompetenzmodelle und Instrumente der Kompetenzerfassung im Hochschulsektor – Validierungen und methodische Innovationen (KoKoHs): Übersicht der Forschungsprojekte (KoKoHs Working Papers, 10)</i> (pp. 39–43).","short":"C. Vogelsang, A. Borowski, H.E. Fischer, C. Kulgemeyer, P. Reinhold, J. Riese, H. Schecker, in: O. Zlatkin-Troitschanskaia, H.A. Pant, C. Lautenbach, M. Toepper (Eds.), Kompetenzmodelle und Instrumente der Kompetenzerfassung im Hochschulsektor – Validierungen und methodische Innovationen (KoKoHs): Übersicht der Forschungsprojekte (KoKoHs Working Papers, 10), 2016, pp. 39–43.","chicago":"Vogelsang, Christoph, Andreas Borowski, Hans E. Fischer, Christoph Kulgemeyer, Peter Reinhold, Josef Riese, and Horst Schecker. “ProfiLe- P+ – Professionskompetenz im Lehramtsstudium Physik.” In <i>Kompetenzmodelle und Instrumente der Kompetenzerfassung im Hochschulsektor – Validierungen und methodische Innovationen (KoKoHs): Übersicht der Forschungsprojekte (KoKoHs Working Papers, 10)</i>, edited by Olga Zlatkin-Troitschanskaia, Hans Anand Pant, Corinna Lautenbach, and Miriam Toepper, 39–43, 2016.","mla":"Vogelsang, Christoph, et al. “ProfiLe- P+ – Professionskompetenz im Lehramtsstudium Physik.” <i>Kompetenzmodelle und Instrumente der Kompetenzerfassung im Hochschulsektor – Validierungen und methodische Innovationen (KoKoHs): Übersicht der Forschungsprojekte (KoKoHs Working Papers, 10)</i>, edited by Olga Zlatkin-Troitschanskaia et al., 2016, pp. 39–43.","bibtex":"@inbook{Vogelsang_Borowski_Fischer_Kulgemeyer_Reinhold_Riese_Schecker_2016, title={ProfiLe- P+ – Professionskompetenz im Lehramtsstudium Physik}, booktitle={Kompetenzmodelle und Instrumente der Kompetenzerfassung im Hochschulsektor – Validierungen und methodische Innovationen (KoKoHs): Übersicht der Forschungsprojekte (KoKoHs Working Papers, 10)}, author={Vogelsang, Christoph and Borowski, Andreas and Fischer, Hans E. and Kulgemeyer, Christoph and Reinhold, Peter and Riese, Josef and Schecker, Horst}, editor={Zlatkin-Troitschanskaia, Olga and Pant, Hans Anand and Lautenbach, Corinna and Toepper, Miriam}, year={2016}, pages={39–43} }","ama":"Vogelsang C, Borowski A, Fischer HE, et al. ProfiLe- P+ – Professionskompetenz im Lehramtsstudium Physik. In: Zlatkin-Troitschanskaia O, Pant HA, Lautenbach C, Toepper M, eds. <i>Kompetenzmodelle und Instrumente der Kompetenzerfassung im Hochschulsektor – Validierungen und methodische Innovationen (KoKoHs): Übersicht der Forschungsprojekte (KoKoHs Working Papers, 10)</i>. ; 2016:39-43."},"publication":"Kompetenzmodelle und Instrumente der Kompetenzerfassung im Hochschulsektor – Validierungen und methodische Innovationen (KoKoHs): Übersicht der Forschungsprojekte (KoKoHs Working Papers, 10)","department":[{"_id":"299"}],"type":"book_chapter","date_created":"2023-06-07T08:10:39Z"},{"department":[{"_id":"299"}],"type":"conference","date_created":"2023-06-07T08:12:41Z","citation":{"short":"D. Woitkowski, J. Riese, P. Reinhold, in: C. Maurer (Ed.), Authentizität und Lernen - das Fach in der Fachdidaktik. Gesellschaft für Didaktik der Chemie und Physik. Jahrestagung in Berlin 2015, 2016, pp. 179–181.","chicago":"Woitkowski, David, Josef Riese, and Peter Reinhold. “Konstruktion von Niveaus des fachlichen Wissens Physik.” In <i>Authentizität und Lernen - das Fach in der Fachdidaktik. Gesellschaft für Didaktik der Chemie und Physik. Jahrestagung in Berlin 2015</i>, edited by Christian Maurer, 179–81, 2016.","ieee":"D. Woitkowski, J. Riese, and P. Reinhold, “Konstruktion von Niveaus des fachlichen Wissens Physik,” in <i>Authentizität und Lernen - das Fach in der Fachdidaktik. Gesellschaft für Didaktik der Chemie und Physik. Jahrestagung in Berlin 2015</i>, 2016, pp. 179–181.","apa":"Woitkowski, D., Riese, J., &#38; Reinhold, P. (2016). Konstruktion von Niveaus des fachlichen Wissens Physik. In C. Maurer (Ed.), <i>Authentizität und Lernen - das Fach in der Fachdidaktik. Gesellschaft für Didaktik der Chemie und Physik. Jahrestagung in Berlin 2015</i> (pp. 179–181).","bibtex":"@inproceedings{Woitkowski_Riese_Reinhold_2016, title={Konstruktion von Niveaus des fachlichen Wissens Physik}, booktitle={Authentizität und Lernen - das Fach in der Fachdidaktik. Gesellschaft für Didaktik der Chemie und Physik. Jahrestagung in Berlin 2015}, author={Woitkowski, David and Riese, Josef and Reinhold, Peter}, editor={Maurer, Christian}, year={2016}, pages={179–181} }","ama":"Woitkowski D, Riese J, Reinhold P. Konstruktion von Niveaus des fachlichen Wissens Physik. In: Maurer C, ed. <i>Authentizität und Lernen - das Fach in der Fachdidaktik. Gesellschaft für Didaktik der Chemie und Physik. Jahrestagung in Berlin 2015</i>. ; 2016:179-181.","mla":"Woitkowski, David, et al. “Konstruktion von Niveaus des fachlichen Wissens Physik.” <i>Authentizität und Lernen - das Fach in der Fachdidaktik. Gesellschaft für Didaktik der Chemie und Physik. Jahrestagung in Berlin 2015</i>, edited by Christian Maurer, 2016, pp. 179–81."},"publication":"Authentizität und Lernen - das Fach in der Fachdidaktik. Gesellschaft für Didaktik der Chemie und Physik. Jahrestagung in Berlin 2015","editor":[{"last_name":"Maurer","first_name":"Christian","full_name":"Maurer, Christian"}],"user_id":"84746","language":[{"iso":"ger"}],"_id":"45500","page":"179-181","date_updated":"2023-06-09T13:50:01Z","author":[{"full_name":"Woitkowski, David","first_name":"David","last_name":"Woitkowski"},{"full_name":"Riese, Josef","orcid":"0000-0003-2927-2619","last_name":"Riese","first_name":"Josef","id":"429"},{"id":"416","full_name":"Reinhold, Peter","last_name":"Reinhold","first_name":"Peter"}],"title":"Konstruktion von Niveaus des fachlichen Wissens Physik","status":"public","year":"2016"},{"doi":"10.1103/PhysRevB.93.075205","language":[{"iso":"eng"}],"article_number":"075205","intvolume":"        93","article_type":"original","date_updated":"2025-12-05T09:59:57Z","publication_status":"published","publication_identifier":{"issn":["2469-9950"],"eissn":["2469-9969"]},"author":[{"first_name":"Arthur","last_name":"Riefer","full_name":"Riefer, Arthur"},{"first_name":"Michael","last_name":"Friedrich","full_name":"Friedrich, Michael"},{"first_name":"Simone","last_name":"Sanna","full_name":"Sanna, Simone"},{"first_name":"Uwe","orcid":"0000-0002-4476-223X","last_name":"Gerstmann","full_name":"Gerstmann, Uwe","id":"171"},{"id":"458","first_name":"Arno","last_name":"Schindlmayr","orcid":"0000-0002-4855-071X","full_name":"Schindlmayr, Arno"},{"full_name":"Schmidt, Wolf Gero","first_name":"Wolf Gero","orcid":"0000-0002-2717-5076","last_name":"Schmidt","id":"468"}],"year":"2016","title":"LiNbO3 electronic structure: Many-body interactions, spin-orbit coupling, and thermal effects","department":[{"_id":"295"},{"_id":"296"},{"_id":"230"},{"_id":"429"},{"_id":"790"},{"_id":"15"},{"_id":"35"},{"_id":"27"}],"type":"journal_article","date_created":"2019-05-29T07:50:59Z","file":[{"title":"LiNbO3 electronic structure: Many-body interactions, spin-orbit coupling, and thermal effects","file_id":"18469","content_type":"application/pdf","relation":"main_file","date_updated":"2020-08-30T14:39:23Z","file_name":"PhysRevB.93.075205.pdf","file_size":1314637,"access_level":"open_access","description":"© 2016 American Physical Society","date_created":"2020-08-27T20:36:43Z","creator":"schindlm"}],"abstract":[{"lang":"eng","text":"The influence of electronic many-body interactions, spin-orbit coupling, and thermal lattice vibrations on the electronic structure of lithium niobate is calculated from first principles. Self-energy calculations in the GW approximation show that the inclusion of self-consistency in the Green function G and the screened Coulomb potential W opens the band gap far stronger than found in previous G0W0 calculations but slightly overestimates its actual value due to the neglect of excitonic effects in W. A realistic frozen-lattice band gap of about 5.9 eV is obtained by combining hybrid density functional theory with the QSGW0 scheme. The renormalization of the band gap due to electron-phonon coupling, derived here using molecular dynamics as well as density functional perturbation theory, reduces this value by about 0.5 eV at room temperature. Spin-orbit coupling does not noticeably modify the fundamental gap but gives rise to a Rashba-like spin texture in the conduction band."}],"publication":"Physical Review B","issue":"7","volume":93,"ddc":["530"],"user_id":"16199","publisher":"American Physical Society","_id":"10024","has_accepted_license":"1","status":"public","oa":"1","external_id":{"isi":["000370794800004"]},"project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"},{"name":"TRR 142","_id":"53"},{"_id":"55","name":"TRR 142 - Project Area B"},{"_id":"69","name":"TRR 142 - Subproject B4"},{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"quality_controlled":"1","isi":"1","citation":{"bibtex":"@article{Riefer_Friedrich_Sanna_Gerstmann_Schindlmayr_Schmidt_2016, title={LiNbO3 electronic structure: Many-body interactions, spin-orbit coupling, and thermal effects}, volume={93}, DOI={<a href=\"https://doi.org/10.1103/PhysRevB.93.075205\">10.1103/PhysRevB.93.075205</a>}, number={7075205}, journal={Physical Review B}, publisher={American Physical Society}, author={Riefer, Arthur and Friedrich, Michael and Sanna, Simone and Gerstmann, Uwe and Schindlmayr, Arno and Schmidt, Wolf Gero}, year={2016} }","ama":"Riefer A, Friedrich M, Sanna S, Gerstmann U, Schindlmayr A, Schmidt WG. LiNbO3 electronic structure: Many-body interactions, spin-orbit coupling, and thermal effects. <i>Physical Review B</i>. 2016;93(7). doi:<a href=\"https://doi.org/10.1103/PhysRevB.93.075205\">10.1103/PhysRevB.93.075205</a>","mla":"Riefer, Arthur, et al. “LiNbO3 Electronic Structure: Many-Body Interactions, Spin-Orbit Coupling, and Thermal Effects.” <i>Physical Review B</i>, vol. 93, no. 7, 075205, American Physical Society, 2016, doi:<a href=\"https://doi.org/10.1103/PhysRevB.93.075205\">10.1103/PhysRevB.93.075205</a>.","chicago":"Riefer, Arthur, Michael Friedrich, Simone Sanna, Uwe Gerstmann, Arno Schindlmayr, and Wolf Gero Schmidt. “LiNbO3 Electronic Structure: Many-Body Interactions, Spin-Orbit Coupling, and Thermal Effects.” <i>Physical Review B</i> 93, no. 7 (2016). <a href=\"https://doi.org/10.1103/PhysRevB.93.075205\">https://doi.org/10.1103/PhysRevB.93.075205</a>.","short":"A. Riefer, M. Friedrich, S. Sanna, U. Gerstmann, A. Schindlmayr, W.G. Schmidt, Physical Review B 93 (2016).","ieee":"A. Riefer, M. Friedrich, S. Sanna, U. Gerstmann, A. Schindlmayr, and W. G. Schmidt, “LiNbO3 electronic structure: Many-body interactions, spin-orbit coupling, and thermal effects,” <i>Physical Review B</i>, vol. 93, no. 7, Art. no. 075205, 2016, doi: <a href=\"https://doi.org/10.1103/PhysRevB.93.075205\">10.1103/PhysRevB.93.075205</a>.","apa":"Riefer, A., Friedrich, M., Sanna, S., Gerstmann, U., Schindlmayr, A., &#38; Schmidt, W. G. (2016). LiNbO3 electronic structure: Many-body interactions, spin-orbit coupling, and thermal effects. <i>Physical Review B</i>, <i>93</i>(7), Article 075205. <a href=\"https://doi.org/10.1103/PhysRevB.93.075205\">https://doi.org/10.1103/PhysRevB.93.075205</a>"},"file_date_updated":"2020-08-30T14:39:23Z"},{"type":"journal_article","department":[{"_id":"295"},{"_id":"296"},{"_id":"230"},{"_id":"429"},{"_id":"15"},{"_id":"35"},{"_id":"27"}],"file":[{"access_level":"closed","file_size":402594,"file_name":"pssb.201552576.pdf","date_updated":"2020-08-30T14:41:39Z","relation":"main_file","content_type":"application/pdf","file_id":"18577","title":"LiTaO3 phonon dispersion and ferroelectric transition calculated from first principles","creator":"schindlm","date_created":"2020-08-28T14:22:11Z","description":"© 2015 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim"}],"date_created":"2019-05-29T07:52:52Z","abstract":[{"lang":"eng","text":"The phonon dispersions of the ferro‐ and paraelectric phase of LiTaO3 are calculated within density‐functional perturbation theory. The longitudinal optical phonon modes are theoretically derived and compared with available experimental data. Our results confirm the recent phonon assignment proposed by Margueron et al. [J. Appl. Phys. 111, 104105 (2012)] on the basis of spectroscopical studies. A comparison with the phonon band structure of the related material LiNbO3 shows minor differences that can be traced to the atomic‐mass difference between Ta and Nb. The presence of phonons with imaginary frequencies for the paraelectric phase suggests that it does not correspond to a minimum energy structure, and is compatible with an order‐disorder type phase transition."}],"publication":"Physica Status Solidi B","issue":"4","doi":"10.1002/pssb.201552576","language":[{"iso":"eng"}],"date_updated":"2025-12-05T09:58:55Z","publication_status":"published","intvolume":"       253","article_type":"original","title":"LiTaO3 phonon dispersion and ferroelectric transition calculated from first principles","year":"2016","author":[{"full_name":"Friedrich, Michael","first_name":"Michael","last_name":"Friedrich"},{"orcid":"0000-0002-4855-071X","last_name":"Schindlmayr","first_name":"Arno","full_name":"Schindlmayr, Arno","id":"458"},{"last_name":"Schmidt","first_name":"Wolf Gero","orcid":"0000-0002-2717-5076","full_name":"Schmidt, Wolf Gero","id":"468"},{"first_name":"Simone","last_name":"Sanna","full_name":"Sanna, Simone"}],"publication_identifier":{"issn":["0370-1972"],"eissn":["1521-3951"]},"external_id":{"isi":["000374142500015"]},"quality_controlled":"1","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"},{"name":"TRR 142","_id":"53"},{"_id":"55","name":"TRR 142 - Project Area B"},{"name":"TRR 142 - Subproject B4","_id":"69"},{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"file_date_updated":"2020-08-30T14:41:39Z","citation":{"ieee":"M. Friedrich, A. Schindlmayr, W. G. Schmidt, and S. Sanna, “LiTaO3 phonon dispersion and ferroelectric transition calculated from first principles,” <i>Physica Status Solidi B</i>, vol. 253, no. 4, pp. 683–689, 2016, doi: <a href=\"https://doi.org/10.1002/pssb.201552576\">10.1002/pssb.201552576</a>.","apa":"Friedrich, M., Schindlmayr, A., Schmidt, W. G., &#38; Sanna, S. (2016). LiTaO3 phonon dispersion and ferroelectric transition calculated from first principles. <i>Physica Status Solidi B</i>, <i>253</i>(4), 683–689. <a href=\"https://doi.org/10.1002/pssb.201552576\">https://doi.org/10.1002/pssb.201552576</a>","chicago":"Friedrich, Michael, Arno Schindlmayr, Wolf Gero Schmidt, and Simone Sanna. “LiTaO3 Phonon Dispersion and Ferroelectric Transition Calculated from First Principles.” <i>Physica Status Solidi B</i> 253, no. 4 (2016): 683–89. <a href=\"https://doi.org/10.1002/pssb.201552576\">https://doi.org/10.1002/pssb.201552576</a>.","short":"M. Friedrich, A. Schindlmayr, W.G. Schmidt, S. Sanna, Physica Status Solidi B 253 (2016) 683–689.","mla":"Friedrich, Michael, et al. “LiTaO3 Phonon Dispersion and Ferroelectric Transition Calculated from First Principles.” <i>Physica Status Solidi B</i>, vol. 253, no. 4, Wiley-VCH, 2016, pp. 683–89, doi:<a href=\"https://doi.org/10.1002/pssb.201552576\">10.1002/pssb.201552576</a>.","bibtex":"@article{Friedrich_Schindlmayr_Schmidt_Sanna_2016, title={LiTaO3 phonon dispersion and ferroelectric transition calculated from first principles}, volume={253}, DOI={<a href=\"https://doi.org/10.1002/pssb.201552576\">10.1002/pssb.201552576</a>}, number={4}, journal={Physica Status Solidi B}, publisher={Wiley-VCH}, author={Friedrich, Michael and Schindlmayr, Arno and Schmidt, Wolf Gero and Sanna, Simone}, year={2016}, pages={683–689} }","ama":"Friedrich M, Schindlmayr A, Schmidt WG, Sanna S. LiTaO3 phonon dispersion and ferroelectric transition calculated from first principles. <i>Physica Status Solidi B</i>. 2016;253(4):683-689. doi:<a href=\"https://doi.org/10.1002/pssb.201552576\">10.1002/pssb.201552576</a>"},"isi":"1","ddc":["530"],"user_id":"16199","volume":253,"page":"683-689","publisher":"Wiley-VCH","_id":"10025","has_accepted_license":"1","status":"public"},{"publication":"Nanotechnology","type":"journal_article","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"27"}],"date_created":"2019-09-30T12:29:16Z","date_updated":"2025-12-05T10:20:57Z","publication_status":"published","intvolume":"        27","title":"Manipulation resolves non-trivial structure of corrole monolayer on Ag(111)","year":"2016","publication_identifier":{"issn":["0957-4484","1361-6528"]},"author":[{"full_name":"Tebi, Stefano","last_name":"Tebi","first_name":"Stefano"},{"full_name":"Aldahhak, Hazem","first_name":"Hazem","last_name":"Aldahhak"},{"last_name":"Serrano","first_name":"Giulia","full_name":"Serrano, Giulia"},{"full_name":"Schöfberger, Wolfgang","last_name":"Schöfberger","first_name":"Wolfgang"},{"full_name":"Rauls, Eva","last_name":"Rauls","first_name":"Eva"},{"id":"468","first_name":"Wolf Gero","last_name":"Schmidt","orcid":"0000-0002-2717-5076","full_name":"Schmidt, Wolf Gero"},{"full_name":"Koch, Reinhold","first_name":"Reinhold","last_name":"Koch"},{"full_name":"Müllegger, Stefan","first_name":"Stefan","last_name":"Müllegger"}],"doi":"10.1088/0957-4484/27/2/025704","article_number":"025704","language":[{"iso":"eng"}],"project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"citation":{"chicago":"Tebi, Stefano, Hazem Aldahhak, Giulia Serrano, Wolfgang Schöfberger, Eva Rauls, Wolf Gero Schmidt, Reinhold Koch, and Stefan Müllegger. “Manipulation Resolves Non-Trivial Structure of Corrole Monolayer on Ag(111).” <i>Nanotechnology</i> 27 (2016). <a href=\"https://doi.org/10.1088/0957-4484/27/2/025704\">https://doi.org/10.1088/0957-4484/27/2/025704</a>.","short":"S. Tebi, H. Aldahhak, G. Serrano, W. Schöfberger, E. Rauls, W.G. Schmidt, R. Koch, S. Müllegger, Nanotechnology 27 (2016).","ieee":"S. Tebi <i>et al.</i>, “Manipulation resolves non-trivial structure of corrole monolayer on Ag(111),” <i>Nanotechnology</i>, vol. 27, Art. no. 025704, 2016, doi: <a href=\"https://doi.org/10.1088/0957-4484/27/2/025704\">10.1088/0957-4484/27/2/025704</a>.","apa":"Tebi, S., Aldahhak, H., Serrano, G., Schöfberger, W., Rauls, E., Schmidt, W. G., Koch, R., &#38; Müllegger, S. (2016). Manipulation resolves non-trivial structure of corrole monolayer on Ag(111). <i>Nanotechnology</i>, <i>27</i>, Article 025704. <a href=\"https://doi.org/10.1088/0957-4484/27/2/025704\">https://doi.org/10.1088/0957-4484/27/2/025704</a>","bibtex":"@article{Tebi_Aldahhak_Serrano_Schöfberger_Rauls_Schmidt_Koch_Müllegger_2016, title={Manipulation resolves non-trivial structure of corrole monolayer on Ag(111)}, volume={27}, DOI={<a href=\"https://doi.org/10.1088/0957-4484/27/2/025704\">10.1088/0957-4484/27/2/025704</a>}, number={025704}, journal={Nanotechnology}, author={Tebi, Stefano and Aldahhak, Hazem and Serrano, Giulia and Schöfberger, Wolfgang and Rauls, Eva and Schmidt, Wolf Gero and Koch, Reinhold and Müllegger, Stefan}, year={2016} }","ama":"Tebi S, Aldahhak H, Serrano G, et al. Manipulation resolves non-trivial structure of corrole monolayer on Ag(111). <i>Nanotechnology</i>. 2016;27. doi:<a href=\"https://doi.org/10.1088/0957-4484/27/2/025704\">10.1088/0957-4484/27/2/025704</a>","mla":"Tebi, Stefano, et al. “Manipulation Resolves Non-Trivial Structure of Corrole Monolayer on Ag(111).” <i>Nanotechnology</i>, vol. 27, 025704, 2016, doi:<a href=\"https://doi.org/10.1088/0957-4484/27/2/025704\">10.1088/0957-4484/27/2/025704</a>."},"status":"public","user_id":"16199","volume":27,"funded_apc":"1","_id":"13492"},{"type":"journal_article","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"}],"date_created":"2019-09-30T12:27:10Z","publication":"Angewandte Chemie International Edition","citation":{"ama":"Schöfberger W, Faschinger F, Chattopadhyay S, et al. A Bifunctional Electrocatalyst for Oxygen Evolution and Oxygen Reduction Reactions in Water. <i>Angewandte Chemie International Edition</i>. Published online 2016:2350-2355. doi:<a href=\"https://doi.org/10.1002/anie.201508404\">10.1002/anie.201508404</a>","bibtex":"@article{Schöfberger_Faschinger_Chattopadhyay_Bhakta_Mondal_Elemans_Müllegger_Tebi_Koch_Klappenberger_et al._2016, title={A Bifunctional Electrocatalyst for Oxygen Evolution and Oxygen Reduction Reactions in Water}, DOI={<a href=\"https://doi.org/10.1002/anie.201508404\">10.1002/anie.201508404</a>}, journal={Angewandte Chemie International Edition}, author={Schöfberger, Wolfgang and Faschinger, Felix and Chattopadhyay, Samir and Bhakta, Snehadri and Mondal, Biswajit and Elemans, Johannes A. A. W. and Müllegger, Stefan and Tebi, Stefano and Koch, Reinhold and Klappenberger, Florian and et al.}, year={2016}, pages={2350–2355} }","mla":"Schöfberger, Wolfgang, et al. “A Bifunctional Electrocatalyst for Oxygen Evolution and Oxygen Reduction Reactions in Water.” <i>Angewandte Chemie International Edition</i>, 2016, pp. 2350–55, doi:<a href=\"https://doi.org/10.1002/anie.201508404\">10.1002/anie.201508404</a>.","short":"W. Schöfberger, F. Faschinger, S. Chattopadhyay, S. Bhakta, B. Mondal, J.A.A.W. Elemans, S. Müllegger, S. Tebi, R. Koch, F. Klappenberger, M. Paszkiewicz, J.V. Barth, E. Rauls, H. Aldahhak, W.G. Schmidt, A. Dey, Angewandte Chemie International Edition (2016) 2350–2355.","chicago":"Schöfberger, Wolfgang, Felix Faschinger, Samir Chattopadhyay, Snehadri Bhakta, Biswajit Mondal, Johannes A. A. W. Elemans, Stefan Müllegger, et al. “A Bifunctional Electrocatalyst for Oxygen Evolution and Oxygen Reduction Reactions in Water.” <i>Angewandte Chemie International Edition</i>, 2016, 2350–55. <a href=\"https://doi.org/10.1002/anie.201508404\">https://doi.org/10.1002/anie.201508404</a>.","apa":"Schöfberger, W., Faschinger, F., Chattopadhyay, S., Bhakta, S., Mondal, B., Elemans, J. A. A. W., Müllegger, S., Tebi, S., Koch, R., Klappenberger, F., Paszkiewicz, M., Barth, J. V., Rauls, E., Aldahhak, H., Schmidt, W. G., &#38; Dey, A. (2016). A Bifunctional Electrocatalyst for Oxygen Evolution and Oxygen Reduction Reactions in Water. <i>Angewandte Chemie International Edition</i>, 2350–2355. <a href=\"https://doi.org/10.1002/anie.201508404\">https://doi.org/10.1002/anie.201508404</a>","ieee":"W. Schöfberger <i>et al.</i>, “A Bifunctional Electrocatalyst for Oxygen Evolution and Oxygen Reduction Reactions in Water,” <i>Angewandte Chemie International Edition</i>, pp. 2350–2355, 2016, doi: <a href=\"https://doi.org/10.1002/anie.201508404\">10.1002/anie.201508404</a>."},"user_id":"16199","doi":"10.1002/anie.201508404","page":"2350-2355","language":[{"iso":"eng"}],"_id":"13491","publication_status":"published","date_updated":"2025-12-05T10:21:25Z","status":"public","title":"A Bifunctional Electrocatalyst for Oxygen Evolution and Oxygen Reduction Reactions in Water","year":"2016","publication_identifier":{"issn":["1433-7851"]},"author":[{"last_name":"Schöfberger","first_name":"Wolfgang","full_name":"Schöfberger, Wolfgang"},{"full_name":"Faschinger, Felix","first_name":"Felix","last_name":"Faschinger"},{"full_name":"Chattopadhyay, Samir","last_name":"Chattopadhyay","first_name":"Samir"},{"first_name":"Snehadri","last_name":"Bhakta","full_name":"Bhakta, Snehadri"},{"last_name":"Mondal","first_name":"Biswajit","full_name":"Mondal, Biswajit"},{"full_name":"Elemans, Johannes A. A. W.","last_name":"Elemans","first_name":"Johannes A. A. W."},{"full_name":"Müllegger, Stefan","first_name":"Stefan","last_name":"Müllegger"},{"first_name":"Stefano","last_name":"Tebi","full_name":"Tebi, Stefano"},{"last_name":"Koch","first_name":"Reinhold","full_name":"Koch, Reinhold"},{"full_name":"Klappenberger, Florian","last_name":"Klappenberger","first_name":"Florian"},{"last_name":"Paszkiewicz","first_name":"Mateusz","full_name":"Paszkiewicz, Mateusz"},{"full_name":"Barth, Johannes V.","last_name":"Barth","first_name":"Johannes V."},{"last_name":"Rauls","first_name":"Eva","full_name":"Rauls, Eva"},{"full_name":"Aldahhak, Hazem","first_name":"Hazem","last_name":"Aldahhak"},{"id":"468","full_name":"Schmidt, Wolf Gero","last_name":"Schmidt","first_name":"Wolf Gero","orcid":"0000-0002-2717-5076"},{"full_name":"Dey, Abhishek","last_name":"Dey","first_name":"Abhishek"}]},{"project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"citation":{"bibtex":"@article{Vollmers_Müller_Hoffmann_Herres-Pawlis_Rohrmüller_Schmidt_Gerstmann_Bauer_2016, title={Experimental and Theoretical High-Energy-Resolution X-ray Absorption Spectroscopy: Implications for the Investigation of the Entatic State}, volume={55}, DOI={<a href=\"https://doi.org/10.1021/acs.inorgchem.6b01704\">10.1021/acs.inorgchem.6b01704</a>}, journal={Inorganic Chemistry}, author={Vollmers, Nora Jenny and Müller, Patrick and Hoffmann, Alexander and Herres-Pawlis, Sonja and Rohrmüller, Martin and Schmidt, Wolf Gero and Gerstmann, Uwe and Bauer, Matthias}, year={2016}, pages={11694–11706} }","ama":"Vollmers NJ, Müller P, Hoffmann A, et al. Experimental and Theoretical High-Energy-Resolution X-ray Absorption Spectroscopy: Implications for the Investigation of the Entatic State. <i>Inorganic Chemistry</i>. 2016;55:11694-11706. doi:<a href=\"https://doi.org/10.1021/acs.inorgchem.6b01704\">10.1021/acs.inorgchem.6b01704</a>","mla":"Vollmers, Nora Jenny, et al. “Experimental and Theoretical High-Energy-Resolution X-Ray Absorption Spectroscopy: Implications for the Investigation of the Entatic State.” <i>Inorganic Chemistry</i>, vol. 55, 2016, pp. 11694–706, doi:<a href=\"https://doi.org/10.1021/acs.inorgchem.6b01704\">10.1021/acs.inorgchem.6b01704</a>.","chicago":"Vollmers, Nora Jenny, Patrick Müller, Alexander Hoffmann, Sonja Herres-Pawlis, Martin Rohrmüller, Wolf Gero Schmidt, Uwe Gerstmann, and Matthias Bauer. “Experimental and Theoretical High-Energy-Resolution X-Ray Absorption Spectroscopy: Implications for the Investigation of the Entatic State.” <i>Inorganic Chemistry</i> 55 (2016): 11694–706. <a href=\"https://doi.org/10.1021/acs.inorgchem.6b01704\">https://doi.org/10.1021/acs.inorgchem.6b01704</a>.","short":"N.J. Vollmers, P. Müller, A. Hoffmann, S. Herres-Pawlis, M. Rohrmüller, W.G. Schmidt, U. Gerstmann, M. Bauer, Inorganic Chemistry 55 (2016) 11694–11706.","ieee":"N. J. Vollmers <i>et al.</i>, “Experimental and Theoretical High-Energy-Resolution X-ray Absorption Spectroscopy: Implications for the Investigation of the Entatic State,” <i>Inorganic Chemistry</i>, vol. 55, pp. 11694–11706, 2016, doi: <a href=\"https://doi.org/10.1021/acs.inorgchem.6b01704\">10.1021/acs.inorgchem.6b01704</a>.","apa":"Vollmers, N. J., Müller, P., Hoffmann, A., Herres-Pawlis, S., Rohrmüller, M., Schmidt, W. G., Gerstmann, U., &#38; Bauer, M. (2016). Experimental and Theoretical High-Energy-Resolution X-ray Absorption Spectroscopy: Implications for the Investigation of the Entatic State. <i>Inorganic Chemistry</i>, <i>55</i>, 11694–11706. <a href=\"https://doi.org/10.1021/acs.inorgchem.6b01704\">https://doi.org/10.1021/acs.inorgchem.6b01704</a>"},"publication":"Inorganic Chemistry","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"2"},{"_id":"306"},{"_id":"230"},{"_id":"27"}],"type":"journal_article","date_created":"2019-09-30T11:31:03Z","intvolume":"        55","publication_status":"published","date_updated":"2025-12-05T10:26:19Z","publication_identifier":{"issn":["0020-1669","1520-510X"]},"author":[{"full_name":"Vollmers, Nora Jenny","first_name":"Nora Jenny","last_name":"Vollmers"},{"full_name":"Müller, Patrick","last_name":"Müller","first_name":"Patrick"},{"full_name":"Hoffmann, Alexander","first_name":"Alexander","last_name":"Hoffmann"},{"last_name":"Herres-Pawlis","first_name":"Sonja","full_name":"Herres-Pawlis, Sonja"},{"full_name":"Rohrmüller, Martin","first_name":"Martin","last_name":"Rohrmüller"},{"id":"468","orcid":"0000-0002-2717-5076","first_name":"Wolf Gero","last_name":"Schmidt","full_name":"Schmidt, Wolf Gero"},{"id":"171","full_name":"Gerstmann, Uwe","orcid":"0000-0002-4476-223X","last_name":"Gerstmann","first_name":"Uwe"},{"full_name":"Bauer, Matthias","first_name":"Matthias","orcid":"0000-0002-9294-6076","last_name":"Bauer","id":"47241"}],"year":"2016","status":"public","title":"Experimental and Theoretical High-Energy-Resolution X-ray Absorption Spectroscopy: Implications for the Investigation of the Entatic State","volume":55,"user_id":"16199","doi":"10.1021/acs.inorgchem.6b01704","language":[{"iso":"eng"}],"_id":"13476","page":"11694-11706"},{"_id":"13477","page":"2181-2192","volume":37,"user_id":"16199","status":"public","citation":{"chicago":"Witte, Matthias, Benjamin Grimm-Lebsanft, Arne Goos, Stephan Binder, Michael Rübhausen, Martin Bernard, Adam Neuba, et al. “Optical Response of the Cu2S2diamond Core in Cu2II(NGuaS)2Cl2.” <i>Journal of Computational Chemistry</i> 37, no. 23–24 (2016): 2181–92. <a href=\"https://doi.org/10.1002/jcc.24439\">https://doi.org/10.1002/jcc.24439</a>.","short":"M. Witte, B. Grimm-Lebsanft, A. Goos, S. Binder, M. Rübhausen, M. Bernard, A. Neuba, S. Gorelsky, U. Gerstmann, G. Henkel, W.G. Schmidt, S. Herres-Pawlis, Journal of Computational Chemistry 37 (2016) 2181–2192.","ama":"Witte M, Grimm-Lebsanft B, Goos A, et al. Optical response of the Cu2S2diamond core in Cu2II(NGuaS)2Cl2. <i>Journal of Computational Chemistry</i>. 2016;37(23-24):2181-2192. doi:<a href=\"https://doi.org/10.1002/jcc.24439\">10.1002/jcc.24439</a>","bibtex":"@article{Witte_Grimm-Lebsanft_Goos_Binder_Rübhausen_Bernard_Neuba_Gorelsky_Gerstmann_Henkel_et al._2016, title={Optical response of the Cu2S2diamond core in Cu2II(NGuaS)2Cl2}, volume={37}, DOI={<a href=\"https://doi.org/10.1002/jcc.24439\">10.1002/jcc.24439</a>}, number={23–24}, journal={Journal of Computational Chemistry}, author={Witte, Matthias and Grimm-Lebsanft, Benjamin and Goos, Arne and Binder, Stephan and Rübhausen, Michael and Bernard, Martin and Neuba, Adam and Gorelsky, Serge and Gerstmann, Uwe and Henkel, Gerald and et al.}, year={2016}, pages={2181–2192} }","apa":"Witte, M., Grimm-Lebsanft, B., Goos, A., Binder, S., Rübhausen, M., Bernard, M., Neuba, A., Gorelsky, S., Gerstmann, U., Henkel, G., Schmidt, W. G., &#38; Herres-Pawlis, S. (2016). Optical response of the Cu2S2diamond core in Cu2II(NGuaS)2Cl2. <i>Journal of Computational Chemistry</i>, <i>37</i>(23–24), 2181–2192. <a href=\"https://doi.org/10.1002/jcc.24439\">https://doi.org/10.1002/jcc.24439</a>","mla":"Witte, Matthias, et al. “Optical Response of the Cu2S2diamond Core in Cu2II(NGuaS)2Cl2.” <i>Journal of Computational Chemistry</i>, vol. 37, no. 23–24, 2016, pp. 2181–92, doi:<a href=\"https://doi.org/10.1002/jcc.24439\">10.1002/jcc.24439</a>.","ieee":"M. Witte <i>et al.</i>, “Optical response of the Cu2S2diamond core in Cu2II(NGuaS)2Cl2,” <i>Journal of Computational Chemistry</i>, vol. 37, no. 23–24, pp. 2181–2192, 2016, doi: <a href=\"https://doi.org/10.1002/jcc.24439\">10.1002/jcc.24439</a>."},"project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"language":[{"iso":"eng"}],"doi":"10.1002/jcc.24439","publication_identifier":{"issn":["0192-8651"]},"author":[{"last_name":"Witte","first_name":"Matthias","full_name":"Witte, Matthias"},{"full_name":"Grimm-Lebsanft, Benjamin","last_name":"Grimm-Lebsanft","first_name":"Benjamin"},{"full_name":"Goos, Arne","first_name":"Arne","last_name":"Goos"},{"full_name":"Binder, Stephan","first_name":"Stephan","last_name":"Binder"},{"last_name":"Rübhausen","first_name":"Michael","full_name":"Rübhausen, Michael"},{"full_name":"Bernard, Martin","last_name":"Bernard","first_name":"Martin"},{"full_name":"Neuba, Adam","first_name":"Adam","last_name":"Neuba"},{"last_name":"Gorelsky","first_name":"Serge","full_name":"Gorelsky, Serge"},{"id":"171","orcid":"0000-0002-4476-223X","last_name":"Gerstmann","first_name":"Uwe","full_name":"Gerstmann, Uwe"},{"first_name":"Gerald","last_name":"Henkel","full_name":"Henkel, Gerald"},{"id":"468","first_name":"Wolf Gero","orcid":"0000-0002-2717-5076","last_name":"Schmidt","full_name":"Schmidt, Wolf Gero"},{"first_name":"Sonja","last_name":"Herres-Pawlis","full_name":"Herres-Pawlis, Sonja"}],"title":"Optical response of the Cu2S2diamond core in Cu2II(NGuaS)2Cl2","year":"2016","intvolume":"        37","date_updated":"2025-12-05T10:25:31Z","publication_status":"published","date_created":"2019-09-30T11:34:50Z","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"2"},{"_id":"305"},{"_id":"230"},{"_id":"27"}],"type":"journal_article","issue":"23-24","publication":"Journal of Computational Chemistry"},{"page":"5572-5580","_id":"13479","language":[{"iso":"eng"}],"user_id":"16199","doi":"10.1021/acs.jpcb.6b03598","volume":120,"title":"Temperature-Dependent Hole Mobility and Its Limit in Crystal-Phase P3HT Calculated from First Principles","status":"public","year":"2016","publication_identifier":{"issn":["1520-6106","1520-5207"]},"author":[{"last_name":"Lücke","first_name":"Andreas","full_name":"Lücke, Andreas"},{"last_name":"Ortmann","first_name":"Frank","full_name":"Ortmann, Frank"},{"last_name":"Panhans","first_name":"Michel","full_name":"Panhans, Michel"},{"full_name":"Sanna, Simone","last_name":"Sanna","first_name":"Simone"},{"first_name":"Eva","last_name":"Rauls","full_name":"Rauls, Eva"},{"first_name":"Uwe","orcid":"0000-0002-4476-223X","last_name":"Gerstmann","full_name":"Gerstmann, Uwe","id":"171"},{"first_name":"Wolf Gero","last_name":"Schmidt","orcid":"0000-0002-2717-5076","full_name":"Schmidt, Wolf Gero","id":"468"}],"publication_status":"published","date_updated":"2025-12-05T10:24:31Z","intvolume":"       120","date_created":"2019-09-30T11:42:37Z","type":"journal_article","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"790"},{"_id":"27"}],"publication":"The Journal of Physical Chemistry B","citation":{"ieee":"A. Lücke <i>et al.</i>, “Temperature-Dependent Hole Mobility and Its Limit in Crystal-Phase P3HT Calculated from First Principles,” <i>The Journal of Physical Chemistry B</i>, vol. 120, pp. 5572–5580, 2016, doi: <a href=\"https://doi.org/10.1021/acs.jpcb.6b03598\">10.1021/acs.jpcb.6b03598</a>.","apa":"Lücke, A., Ortmann, F., Panhans, M., Sanna, S., Rauls, E., Gerstmann, U., &#38; Schmidt, W. G. (2016). Temperature-Dependent Hole Mobility and Its Limit in Crystal-Phase P3HT Calculated from First Principles. <i>The Journal of Physical Chemistry B</i>, <i>120</i>, 5572–5580. <a href=\"https://doi.org/10.1021/acs.jpcb.6b03598\">https://doi.org/10.1021/acs.jpcb.6b03598</a>","chicago":"Lücke, Andreas, Frank Ortmann, Michel Panhans, Simone Sanna, Eva Rauls, Uwe Gerstmann, and Wolf Gero Schmidt. “Temperature-Dependent Hole Mobility and Its Limit in Crystal-Phase P3HT Calculated from First Principles.” <i>The Journal of Physical Chemistry B</i> 120 (2016): 5572–80. <a href=\"https://doi.org/10.1021/acs.jpcb.6b03598\">https://doi.org/10.1021/acs.jpcb.6b03598</a>.","short":"A. Lücke, F. Ortmann, M. Panhans, S. Sanna, E. Rauls, U. Gerstmann, W.G. Schmidt, The Journal of Physical Chemistry B 120 (2016) 5572–5580.","mla":"Lücke, Andreas, et al. “Temperature-Dependent Hole Mobility and Its Limit in Crystal-Phase P3HT Calculated from First Principles.” <i>The Journal of Physical Chemistry B</i>, vol. 120, 2016, pp. 5572–80, doi:<a href=\"https://doi.org/10.1021/acs.jpcb.6b03598\">10.1021/acs.jpcb.6b03598</a>.","bibtex":"@article{Lücke_Ortmann_Panhans_Sanna_Rauls_Gerstmann_Schmidt_2016, title={Temperature-Dependent Hole Mobility and Its Limit in Crystal-Phase P3HT Calculated from First Principles}, volume={120}, DOI={<a href=\"https://doi.org/10.1021/acs.jpcb.6b03598\">10.1021/acs.jpcb.6b03598</a>}, journal={The Journal of Physical Chemistry B}, author={Lücke, Andreas and Ortmann, Frank and Panhans, Michel and Sanna, Simone and Rauls, Eva and Gerstmann, Uwe and Schmidt, Wolf Gero}, year={2016}, pages={5572–5580} }","ama":"Lücke A, Ortmann F, Panhans M, et al. Temperature-Dependent Hole Mobility and Its Limit in Crystal-Phase P3HT Calculated from First Principles. <i>The Journal of Physical Chemistry B</i>. 2016;120:5572-5580. doi:<a href=\"https://doi.org/10.1021/acs.jpcb.6b03598\">10.1021/acs.jpcb.6b03598</a>"},"project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}]},{"intvolume":"        10","date_updated":"2025-12-05T10:24:01Z","publication_status":"published","publication_identifier":{"issn":["1932-7447","1932-7455"]},"author":[{"full_name":"Paulheim, A.","first_name":"A.","last_name":"Paulheim"},{"full_name":"Marquardt, C.","last_name":"Marquardt","first_name":"C."},{"first_name":"Hazem","last_name":"Aldahhak","full_name":"Aldahhak, Hazem"},{"full_name":"Rauls, E.","first_name":"E.","last_name":"Rauls"},{"id":"468","first_name":"Wolf Gero","orcid":"0000-0002-2717-5076","last_name":"Schmidt","full_name":"Schmidt, Wolf Gero"},{"first_name":"M.","last_name":"Sokolowski","full_name":"Sokolowski, M."}],"year":"2016","status":"public","title":"Inhomogeneous and Homogeneous Line Broadening of Optical Spectra of PTCDA Molecules Adsorbed at Step Edges of Alkali Halide Surfaces","volume":10,"doi":"10.1021/acs.jpcc.6b01956","user_id":"16199","_id":"13480","language":[{"iso":"eng"}],"page":"11926-11937","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"citation":{"apa":"Paulheim, A., Marquardt, C., Aldahhak, H., Rauls, E., Schmidt, W. G., &#38; Sokolowski, M. (2016). Inhomogeneous and Homogeneous Line Broadening of Optical Spectra of PTCDA Molecules Adsorbed at Step Edges of Alkali Halide Surfaces. <i>The Journal of Physical Chemistry C</i>, <i>10</i>, 11926–11937. <a href=\"https://doi.org/10.1021/acs.jpcc.6b01956\">https://doi.org/10.1021/acs.jpcc.6b01956</a>","mla":"Paulheim, A., et al. “Inhomogeneous and Homogeneous Line Broadening of Optical Spectra of PTCDA Molecules Adsorbed at Step Edges of Alkali Halide Surfaces.” <i>The Journal of Physical Chemistry C</i>, vol. 10, 2016, pp. 11926–37, doi:<a href=\"https://doi.org/10.1021/acs.jpcc.6b01956\">10.1021/acs.jpcc.6b01956</a>.","ieee":"A. Paulheim, C. Marquardt, H. Aldahhak, E. Rauls, W. G. Schmidt, and M. Sokolowski, “Inhomogeneous and Homogeneous Line Broadening of Optical Spectra of PTCDA Molecules Adsorbed at Step Edges of Alkali Halide Surfaces,” <i>The Journal of Physical Chemistry C</i>, vol. 10, pp. 11926–11937, 2016, doi: <a href=\"https://doi.org/10.1021/acs.jpcc.6b01956\">10.1021/acs.jpcc.6b01956</a>.","chicago":"Paulheim, A., C. Marquardt, Hazem Aldahhak, E. Rauls, Wolf Gero Schmidt, and M. Sokolowski. “Inhomogeneous and Homogeneous Line Broadening of Optical Spectra of PTCDA Molecules Adsorbed at Step Edges of Alkali Halide Surfaces.” <i>The Journal of Physical Chemistry C</i> 10 (2016): 11926–37. <a href=\"https://doi.org/10.1021/acs.jpcc.6b01956\">https://doi.org/10.1021/acs.jpcc.6b01956</a>.","short":"A. Paulheim, C. Marquardt, H. Aldahhak, E. Rauls, W.G. Schmidt, M. Sokolowski, The Journal of Physical Chemistry C 10 (2016) 11926–11937.","ama":"Paulheim A, Marquardt C, Aldahhak H, Rauls E, Schmidt WG, Sokolowski M. Inhomogeneous and Homogeneous Line Broadening of Optical Spectra of PTCDA Molecules Adsorbed at Step Edges of Alkali Halide Surfaces. <i>The Journal of Physical Chemistry C</i>. 2016;10:11926-11937. doi:<a href=\"https://doi.org/10.1021/acs.jpcc.6b01956\">10.1021/acs.jpcc.6b01956</a>","bibtex":"@article{Paulheim_Marquardt_Aldahhak_Rauls_Schmidt_Sokolowski_2016, title={Inhomogeneous and Homogeneous Line Broadening of Optical Spectra of PTCDA Molecules Adsorbed at Step Edges of Alkali Halide Surfaces}, volume={10}, DOI={<a href=\"https://doi.org/10.1021/acs.jpcc.6b01956\">10.1021/acs.jpcc.6b01956</a>}, journal={The Journal of Physical Chemistry C}, author={Paulheim, A. and Marquardt, C. and Aldahhak, Hazem and Rauls, E. and Schmidt, Wolf Gero and Sokolowski, M.}, year={2016}, pages={11926–11937} }"},"publication":"The Journal of Physical Chemistry C","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"27"}],"type":"journal_article","date_created":"2019-09-30T11:48:22Z"},{"intvolume":"        93","date_updated":"2025-12-05T10:23:07Z","publication_status":"published","publication_identifier":{"issn":["2469-9950","2469-9969"]},"author":[{"first_name":"S.","last_name":"Sanna","full_name":"Sanna, S."},{"first_name":"C.","last_name":"Dues","full_name":"Dues, C."},{"orcid":"0000-0002-2717-5076","last_name":"Schmidt","first_name":"Wolf Gero","full_name":"Schmidt, Wolf Gero","id":"468"},{"full_name":"Timmer, F.","last_name":"Timmer","first_name":"F."},{"last_name":"Wollschläger","first_name":"J.","full_name":"Wollschläger, J."},{"full_name":"Franz, M.","last_name":"Franz","first_name":"M."},{"last_name":"Appelfeller","first_name":"S.","full_name":"Appelfeller, S."},{"full_name":"Dähne, M.","first_name":"M.","last_name":"Dähne"}],"title":"Rare-earth silicide thin films on the Si(111) surface","year":"2016","doi":"10.1103/physrevb.93.195407","language":[{"iso":"eng"}],"issue":"19","publication":"Physical Review B","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"27"}],"type":"journal_article","date_created":"2019-09-30T12:10:50Z","status":"public","volume":93,"user_id":"16199","funded_apc":"1","_id":"13485","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"citation":{"ieee":"S. Sanna <i>et al.</i>, “Rare-earth silicide thin films on the Si(111) surface,” <i>Physical Review B</i>, vol. 93, no. 19, 2016, doi: <a href=\"https://doi.org/10.1103/physrevb.93.195407\">10.1103/physrevb.93.195407</a>.","apa":"Sanna, S., Dues, C., Schmidt, W. G., Timmer, F., Wollschläger, J., Franz, M., Appelfeller, S., &#38; Dähne, M. (2016). Rare-earth silicide thin films on the Si(111) surface. <i>Physical Review B</i>, <i>93</i>(19). <a href=\"https://doi.org/10.1103/physrevb.93.195407\">https://doi.org/10.1103/physrevb.93.195407</a>","short":"S. Sanna, C. Dues, W.G. Schmidt, F. Timmer, J. Wollschläger, M. Franz, S. Appelfeller, M. Dähne, Physical Review B 93 (2016).","chicago":"Sanna, S., C. Dues, Wolf Gero Schmidt, F. Timmer, J. Wollschläger, M. Franz, S. Appelfeller, and M. Dähne. “Rare-Earth Silicide Thin Films on the Si(111) Surface.” <i>Physical Review B</i> 93, no. 19 (2016). <a href=\"https://doi.org/10.1103/physrevb.93.195407\">https://doi.org/10.1103/physrevb.93.195407</a>.","mla":"Sanna, S., et al. “Rare-Earth Silicide Thin Films on the Si(111) Surface.” <i>Physical Review B</i>, vol. 93, no. 19, 2016, doi:<a href=\"https://doi.org/10.1103/physrevb.93.195407\">10.1103/physrevb.93.195407</a>.","bibtex":"@article{Sanna_Dues_Schmidt_Timmer_Wollschläger_Franz_Appelfeller_Dähne_2016, title={Rare-earth silicide thin films on the Si(111) surface}, volume={93}, DOI={<a href=\"https://doi.org/10.1103/physrevb.93.195407\">10.1103/physrevb.93.195407</a>}, number={19}, journal={Physical Review B}, author={Sanna, S. and Dues, C. and Schmidt, Wolf Gero and Timmer, F. and Wollschläger, J. and Franz, M. and Appelfeller, S. and Dähne, M.}, year={2016} }","ama":"Sanna S, Dues C, Schmidt WG, et al. Rare-earth silicide thin films on the Si(111) surface. <i>Physical Review B</i>. 2016;93(19). doi:<a href=\"https://doi.org/10.1103/physrevb.93.195407\">10.1103/physrevb.93.195407</a>"}},{"page":"1005-1018","language":[{"iso":"eng"}],"_id":"13487","user_id":"16199","doi":"10.1002/jcc.24289","volume":37,"title":"Density functional theory of the CuA-like Cu2S2 diamond core in Cu 2II(NGuaS)2Cl2","year":"2016","status":"public","publication_identifier":{"issn":["0192-8651"]},"author":[{"first_name":"M.","last_name":"Witte","full_name":"Witte, M."},{"full_name":"Gerstmann, Uwe","orcid":"0000-0002-4476-223X","first_name":"Uwe","last_name":"Gerstmann","id":"171"},{"last_name":"Neuba","first_name":"Adam","full_name":"Neuba, Adam"},{"full_name":"Henkel, G.","last_name":"Henkel","first_name":"G."},{"id":"468","orcid":"0000-0002-2717-5076","first_name":"Wolf Gero","last_name":"Schmidt","full_name":"Schmidt, Wolf Gero"}],"publication_status":"published","date_updated":"2025-12-05T10:22:42Z","intvolume":"        37","date_created":"2019-09-30T12:17:57Z","type":"journal_article","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"2"},{"_id":"305"},{"_id":"27"},{"_id":"230"}],"publication":"Journal of Computational Chemistry","citation":{"chicago":"Witte, M., Uwe Gerstmann, Adam Neuba, G. Henkel, and Wolf Gero Schmidt. “Density Functional Theory of the CuA-like Cu2S2 Diamond Core in Cu 2II(NGuaS)2Cl2.” <i>Journal of Computational Chemistry</i> 37 (2016): 1005–18. <a href=\"https://doi.org/10.1002/jcc.24289\">https://doi.org/10.1002/jcc.24289</a>.","short":"M. Witte, U. Gerstmann, A. Neuba, G. Henkel, W.G. Schmidt, Journal of Computational Chemistry 37 (2016) 1005–1018.","apa":"Witte, M., Gerstmann, U., Neuba, A., Henkel, G., &#38; Schmidt, W. G. (2016). Density functional theory of the CuA-like Cu2S2 diamond core in Cu 2II(NGuaS)2Cl2. <i>Journal of Computational Chemistry</i>, <i>37</i>, 1005–1018. <a href=\"https://doi.org/10.1002/jcc.24289\">https://doi.org/10.1002/jcc.24289</a>","ieee":"M. Witte, U. Gerstmann, A. Neuba, G. Henkel, and W. G. Schmidt, “Density functional theory of the CuA-like Cu2S2 diamond core in Cu 2II(NGuaS)2Cl2,” <i>Journal of Computational Chemistry</i>, vol. 37, pp. 1005–1018, 2016, doi: <a href=\"https://doi.org/10.1002/jcc.24289\">10.1002/jcc.24289</a>.","ama":"Witte M, Gerstmann U, Neuba A, Henkel G, Schmidt WG. Density functional theory of the CuA-like Cu2S2 diamond core in Cu 2II(NGuaS)2Cl2. <i>Journal of Computational Chemistry</i>. 2016;37:1005-1018. doi:<a href=\"https://doi.org/10.1002/jcc.24289\">10.1002/jcc.24289</a>","bibtex":"@article{Witte_Gerstmann_Neuba_Henkel_Schmidt_2016, title={Density functional theory of the CuA-like Cu2S2 diamond core in Cu 2II(NGuaS)2Cl2}, volume={37}, DOI={<a href=\"https://doi.org/10.1002/jcc.24289\">10.1002/jcc.24289</a>}, journal={Journal of Computational Chemistry}, author={Witte, M. and Gerstmann, Uwe and Neuba, Adam and Henkel, G. and Schmidt, Wolf Gero}, year={2016}, pages={1005–1018} }","mla":"Witte, M., et al. “Density Functional Theory of the CuA-like Cu2S2 Diamond Core in Cu 2II(NGuaS)2Cl2.” <i>Journal of Computational Chemistry</i>, vol. 37, 2016, pp. 1005–18, doi:<a href=\"https://doi.org/10.1002/jcc.24289\">10.1002/jcc.24289</a>."},"project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}]},{"status":"public","_id":"13481","funded_apc":"1","volume":93,"user_id":"16199","citation":{"short":"E. Jeckelmann, S. Sanna, W.G. Schmidt, E. Speiser, N. Esser, Physical Review B 93 (2016).","chicago":"Jeckelmann, Eric, Simone Sanna, Wolf Gero Schmidt, Eugen Speiser, and Norbert Esser. “Grand Canonical Peierls Transition in In/Si(111).” <i>Physical Review B</i> 93, no. 24 (2016). <a href=\"https://doi.org/10.1103/physrevb.93.241407\">https://doi.org/10.1103/physrevb.93.241407</a>.","apa":"Jeckelmann, E., Sanna, S., Schmidt, W. G., Speiser, E., &#38; Esser, N. (2016). Grand canonical Peierls transition in In/Si(111). <i>Physical Review B</i>, <i>93</i>(24). <a href=\"https://doi.org/10.1103/physrevb.93.241407\">https://doi.org/10.1103/physrevb.93.241407</a>","ieee":"E. Jeckelmann, S. Sanna, W. G. Schmidt, E. Speiser, and N. Esser, “Grand canonical Peierls transition in In/Si(111),” <i>Physical Review B</i>, vol. 93, no. 24, 2016, doi: <a href=\"https://doi.org/10.1103/physrevb.93.241407\">10.1103/physrevb.93.241407</a>.","ama":"Jeckelmann E, Sanna S, Schmidt WG, Speiser E, Esser N. Grand canonical Peierls transition in In/Si(111). <i>Physical Review B</i>. 2016;93(24). doi:<a href=\"https://doi.org/10.1103/physrevb.93.241407\">10.1103/physrevb.93.241407</a>","bibtex":"@article{Jeckelmann_Sanna_Schmidt_Speiser_Esser_2016, title={Grand canonical Peierls transition in In/Si(111)}, volume={93}, DOI={<a href=\"https://doi.org/10.1103/physrevb.93.241407\">10.1103/physrevb.93.241407</a>}, number={24}, journal={Physical Review B}, author={Jeckelmann, Eric and Sanna, Simone and Schmidt, Wolf Gero and Speiser, Eugen and Esser, Norbert}, year={2016} }","mla":"Jeckelmann, Eric, et al. “Grand Canonical Peierls Transition in In/Si(111).” <i>Physical Review B</i>, vol. 93, no. 24, 2016, doi:<a href=\"https://doi.org/10.1103/physrevb.93.241407\">10.1103/physrevb.93.241407</a>."},"project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"publication_identifier":{"issn":["2469-9950","2469-9969"]},"author":[{"last_name":"Jeckelmann","first_name":"Eric","full_name":"Jeckelmann, Eric"},{"full_name":"Sanna, Simone","last_name":"Sanna","first_name":"Simone"},{"id":"468","full_name":"Schmidt, Wolf Gero","orcid":"0000-0002-2717-5076","first_name":"Wolf Gero","last_name":"Schmidt"},{"full_name":"Speiser, Eugen","first_name":"Eugen","last_name":"Speiser"},{"full_name":"Esser, Norbert","last_name":"Esser","first_name":"Norbert"}],"year":"2016","title":"Grand canonical Peierls transition in In/Si(111)","intvolume":"        93","date_updated":"2025-12-05T10:23:31Z","publication_status":"published","language":[{"iso":"eng"}],"doi":"10.1103/physrevb.93.241407","publication":"Physical Review B","issue":"24","date_created":"2019-09-30T11:51:43Z","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"27"}],"type":"journal_article"},{"citation":{"bibtex":"@article{Speiser_Esser_Wippermann_Schmidt_2016, title={Surface vibrational Raman modes of In:Si(111)(4×1)and(8×2)nanowires}, volume={94}, DOI={<a href=\"https://doi.org/10.1103/physrevb.94.075417\">10.1103/physrevb.94.075417</a>}, number={7}, journal={Physical Review B}, author={Speiser, E. and Esser, N. and Wippermann, S. and Schmidt, Wolf Gero}, year={2016} }","ama":"Speiser E, Esser N, Wippermann S, Schmidt WG. Surface vibrational Raman modes of In:Si(111)(4×1)and(8×2)nanowires. <i>Physical Review B</i>. 2016;94(7). doi:<a href=\"https://doi.org/10.1103/physrevb.94.075417\">10.1103/physrevb.94.075417</a>","mla":"Speiser, E., et al. “Surface Vibrational Raman Modes of In:Si(111)(4×1)and(8×2)Nanowires.” <i>Physical Review B</i>, vol. 94, no. 7, 2016, doi:<a href=\"https://doi.org/10.1103/physrevb.94.075417\">10.1103/physrevb.94.075417</a>.","short":"E. Speiser, N. Esser, S. Wippermann, W.G. Schmidt, Physical Review B 94 (2016).","chicago":"Speiser, E., N. Esser, S. Wippermann, and Wolf Gero Schmidt. “Surface Vibrational Raman Modes of In:Si(111)(4×1)and(8×2)Nanowires.” <i>Physical Review B</i> 94, no. 7 (2016). <a href=\"https://doi.org/10.1103/physrevb.94.075417\">https://doi.org/10.1103/physrevb.94.075417</a>.","ieee":"E. Speiser, N. Esser, S. Wippermann, and W. G. Schmidt, “Surface vibrational Raman modes of In:Si(111)(4×1)and(8×2)nanowires,” <i>Physical Review B</i>, vol. 94, no. 7, 2016, doi: <a href=\"https://doi.org/10.1103/physrevb.94.075417\">10.1103/physrevb.94.075417</a>.","apa":"Speiser, E., Esser, N., Wippermann, S., &#38; Schmidt, W. G. (2016). Surface vibrational Raman modes of In:Si(111)(4×1)and(8×2)nanowires. <i>Physical Review B</i>, <i>94</i>(7). <a href=\"https://doi.org/10.1103/physrevb.94.075417\">https://doi.org/10.1103/physrevb.94.075417</a>"},"issue":"7","publication":"Physical Review B","project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"date_created":"2019-09-30T11:36:41Z","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"27"}],"type":"journal_article","author":[{"full_name":"Speiser, E.","first_name":"E.","last_name":"Speiser"},{"last_name":"Esser","first_name":"N.","full_name":"Esser, N."},{"first_name":"S.","last_name":"Wippermann","full_name":"Wippermann, S."},{"id":"468","first_name":"Wolf Gero","last_name":"Schmidt","orcid":"0000-0002-2717-5076","full_name":"Schmidt, Wolf Gero"}],"publication_identifier":{"issn":["2469-9950","2469-9969"]},"status":"public","title":"Surface vibrational Raman modes of In:Si(111)(4×1)and(8×2)nanowires","year":"2016","intvolume":"        94","date_updated":"2025-12-05T10:24:54Z","publication_status":"published","_id":"13478","language":[{"iso":"eng"}],"volume":94,"doi":"10.1103/physrevb.94.075417","user_id":"16199"},{"date_created":"2019-09-30T12:19:46Z","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"27"}],"type":"journal_article","citation":{"mla":"Miccoli, I., et al. “Atomic Size Effects Studied by Transport in Single Silicide Nanowires.” <i>Physical Review B</i>, 2016, doi:<a href=\"https://doi.org/10.1103/physrevb.93.125412\">10.1103/physrevb.93.125412</a>.","bibtex":"@article{Miccoli_Edler_Pfnür_Appelfeller_Dähne_Holtgrewe_Sanna_Schmidt_Tegenkamp_2016, title={Atomic size effects studied by transport in single silicide nanowires}, DOI={<a href=\"https://doi.org/10.1103/physrevb.93.125412\">10.1103/physrevb.93.125412</a>}, journal={Physical Review B}, author={Miccoli, I. and Edler, F. and Pfnür, H. and Appelfeller, S. and Dähne, M. and Holtgrewe, K. and Sanna, S. and Schmidt, Wolf Gero and Tegenkamp, C.}, year={2016} }","ama":"Miccoli I, Edler F, Pfnür H, et al. Atomic size effects studied by transport in single silicide nanowires. <i>Physical Review B</i>. Published online 2016. doi:<a href=\"https://doi.org/10.1103/physrevb.93.125412\">10.1103/physrevb.93.125412</a>","ieee":"I. Miccoli <i>et al.</i>, “Atomic size effects studied by transport in single silicide nanowires,” <i>Physical Review B</i>, 2016, doi: <a href=\"https://doi.org/10.1103/physrevb.93.125412\">10.1103/physrevb.93.125412</a>.","apa":"Miccoli, I., Edler, F., Pfnür, H., Appelfeller, S., Dähne, M., Holtgrewe, K., Sanna, S., Schmidt, W. G., &#38; Tegenkamp, C. (2016). Atomic size effects studied by transport in single silicide nanowires. <i>Physical Review B</i>. <a href=\"https://doi.org/10.1103/physrevb.93.125412\">https://doi.org/10.1103/physrevb.93.125412</a>","chicago":"Miccoli, I., F. Edler, H. Pfnür, S. Appelfeller, M. Dähne, K. Holtgrewe, S. Sanna, Wolf Gero Schmidt, and C. Tegenkamp. “Atomic Size Effects Studied by Transport in Single Silicide Nanowires.” <i>Physical Review B</i>, 2016. <a href=\"https://doi.org/10.1103/physrevb.93.125412\">https://doi.org/10.1103/physrevb.93.125412</a>.","short":"I. Miccoli, F. Edler, H. Pfnür, S. Appelfeller, M. Dähne, K. Holtgrewe, S. Sanna, W.G. Schmidt, C. Tegenkamp, Physical Review B (2016)."},"publication":"Physical Review B","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"language":[{"iso":"eng"}],"_id":"13488","doi":"10.1103/physrevb.93.125412","user_id":"16199","publication_identifier":{"issn":["2469-9950","2469-9969"]},"author":[{"last_name":"Miccoli","first_name":"I.","full_name":"Miccoli, I."},{"last_name":"Edler","first_name":"F.","full_name":"Edler, F."},{"last_name":"Pfnür","first_name":"H.","full_name":"Pfnür, H."},{"first_name":"S.","last_name":"Appelfeller","full_name":"Appelfeller, S."},{"full_name":"Dähne, M.","last_name":"Dähne","first_name":"M."},{"first_name":"K.","last_name":"Holtgrewe","full_name":"Holtgrewe, K."},{"full_name":"Sanna, S.","last_name":"Sanna","first_name":"S."},{"id":"468","full_name":"Schmidt, Wolf Gero","orcid":"0000-0002-2717-5076","last_name":"Schmidt","first_name":"Wolf Gero"},{"first_name":"C.","last_name":"Tegenkamp","full_name":"Tegenkamp, C."}],"status":"public","title":"Atomic size effects studied by transport in single silicide nanowires","year":"2016","date_updated":"2025-12-05T10:21:51Z","publication_status":"published"},{"language":[{"iso":"eng"}],"_id":"13458","volume":94,"doi":"10.1103/physrevb.94.235304","user_id":"16199","publication_identifier":{"issn":["2469-9950","2469-9969"]},"author":[{"first_name":"M.","last_name":"Liebhaber","full_name":"Liebhaber, M."},{"first_name":"B.","last_name":"Halbig","full_name":"Halbig, B."},{"full_name":"Bass, U.","last_name":"Bass","first_name":"U."},{"full_name":"Geurts, J.","last_name":"Geurts","first_name":"J."},{"id":"23261","full_name":"Neufeld, Sergej","first_name":"Sergej","last_name":"Neufeld"},{"full_name":"Sanna, S.","last_name":"Sanna","first_name":"S."},{"id":"468","orcid":"0000-0002-2717-5076","first_name":"Wolf Gero","last_name":"Schmidt","full_name":"Schmidt, Wolf Gero"},{"full_name":"Speiser, E.","first_name":"E.","last_name":"Speiser"},{"first_name":"J.","last_name":"Räthel","full_name":"Räthel, J."},{"full_name":"Chandola, S.","first_name":"S.","last_name":"Chandola"},{"full_name":"Esser, N.","first_name":"N.","last_name":"Esser"}],"title":"Vibration eigenmodes of the Au-(5×2)/Si(111) surface studied by Raman spectroscopy and first-principles calculations","status":"public","year":"2016","intvolume":"        94","date_updated":"2025-12-05T10:28:47Z","publication_status":"published","date_created":"2019-09-30T08:22:04Z","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"230"},{"_id":"35"},{"_id":"27"}],"type":"journal_article","citation":{"ama":"Liebhaber M, Halbig B, Bass U, et al. Vibration eigenmodes of the Au-(5×2)/Si(111) surface studied by Raman spectroscopy and first-principles calculations. <i>Physical Review B</i>. 2016;94(23). doi:<a href=\"https://doi.org/10.1103/physrevb.94.235304\">10.1103/physrevb.94.235304</a>","bibtex":"@article{Liebhaber_Halbig_Bass_Geurts_Neufeld_Sanna_Schmidt_Speiser_Räthel_Chandola_et al._2016, title={Vibration eigenmodes of the Au-(5×2)/Si(111) surface studied by Raman spectroscopy and first-principles calculations}, volume={94}, DOI={<a href=\"https://doi.org/10.1103/physrevb.94.235304\">10.1103/physrevb.94.235304</a>}, number={23}, journal={Physical Review B}, author={Liebhaber, M. and Halbig, B. and Bass, U. and Geurts, J. and Neufeld, Sergej and Sanna, S. and Schmidt, Wolf Gero and Speiser, E. and Räthel, J. and Chandola, S. and et al.}, year={2016} }","mla":"Liebhaber, M., et al. “Vibration Eigenmodes of the Au-(5×2)/Si(111) Surface Studied by Raman Spectroscopy and First-Principles Calculations.” <i>Physical Review B</i>, vol. 94, no. 23, 2016, doi:<a href=\"https://doi.org/10.1103/physrevb.94.235304\">10.1103/physrevb.94.235304</a>.","short":"M. Liebhaber, B. Halbig, U. Bass, J. Geurts, S. Neufeld, S. Sanna, W.G. Schmidt, E. Speiser, J. Räthel, S. Chandola, N. Esser, Physical Review B 94 (2016).","chicago":"Liebhaber, M., B. Halbig, U. Bass, J. Geurts, Sergej Neufeld, S. Sanna, Wolf Gero Schmidt, et al. “Vibration Eigenmodes of the Au-(5×2)/Si(111) Surface Studied by Raman Spectroscopy and First-Principles Calculations.” <i>Physical Review B</i> 94, no. 23 (2016). <a href=\"https://doi.org/10.1103/physrevb.94.235304\">https://doi.org/10.1103/physrevb.94.235304</a>.","apa":"Liebhaber, M., Halbig, B., Bass, U., Geurts, J., Neufeld, S., Sanna, S., Schmidt, W. G., Speiser, E., Räthel, J., Chandola, S., &#38; Esser, N. (2016). Vibration eigenmodes of the Au-(5×2)/Si(111) surface studied by Raman spectroscopy and first-principles calculations. <i>Physical Review B</i>, <i>94</i>(23). <a href=\"https://doi.org/10.1103/physrevb.94.235304\">https://doi.org/10.1103/physrevb.94.235304</a>","ieee":"M. Liebhaber <i>et al.</i>, “Vibration eigenmodes of the Au-(5×2)/Si(111) surface studied by Raman spectroscopy and first-principles calculations,” <i>Physical Review B</i>, vol. 94, no. 23, 2016, doi: <a href=\"https://doi.org/10.1103/physrevb.94.235304\">10.1103/physrevb.94.235304</a>."},"publication":"Physical Review B","issue":"23","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}]}]
