[{"intvolume":"        24","publication_status":"published","date_updated":"2023-01-24T17:48:18Z","publication_identifier":{"issn":["1094-4087"]},"author":[{"full_name":"Wahle, M.","first_name":"M.","last_name":"Wahle"},{"first_name":"J.","last_name":"Ebel","full_name":"Ebel, J."},{"first_name":"D.","last_name":"Wilkes","full_name":"Wilkes, D."},{"full_name":"Kitzerow, Heinz-Siegfried","last_name":"Kitzerow","first_name":"Heinz-Siegfried","id":"254"}],"year":"2016","title":"Asymmetric band gap shift in electrically addressed blue phase photonic crystal fibers","doi":"10.1364/oe.24.022718","language":[{"iso":"eng"}],"article_number":"22718","issue":"20","publication":"Optics Express","department":[{"_id":"313"},{"_id":"230"},{"_id":"638"}],"keyword":["Atomic and Molecular Physics","and Optics"],"type":"journal_article","date_created":"2023-01-24T17:47:33Z","status":"public","volume":24,"user_id":"254","_id":"39671","publisher":"The Optical Society","citation":{"apa":"Wahle, M., Ebel, J., Wilkes, D., &#38; Kitzerow, H.-S. (2016). Asymmetric band gap shift in electrically addressed blue phase photonic crystal fibers. <i>Optics Express</i>, <i>24</i>(20), Article 22718. <a href=\"https://doi.org/10.1364/oe.24.022718\">https://doi.org/10.1364/oe.24.022718</a>","ieee":"M. Wahle, J. Ebel, D. Wilkes, and H.-S. Kitzerow, “Asymmetric band gap shift in electrically addressed blue phase photonic crystal fibers,” <i>Optics Express</i>, vol. 24, no. 20, Art. no. 22718, 2016, doi: <a href=\"https://doi.org/10.1364/oe.24.022718\">10.1364/oe.24.022718</a>.","chicago":"Wahle, M., J. Ebel, D. Wilkes, and Heinz-Siegfried Kitzerow. “Asymmetric Band Gap Shift in Electrically Addressed Blue Phase Photonic Crystal Fibers.” <i>Optics Express</i> 24, no. 20 (2016). <a href=\"https://doi.org/10.1364/oe.24.022718\">https://doi.org/10.1364/oe.24.022718</a>.","short":"M. Wahle, J. Ebel, D. Wilkes, H.-S. Kitzerow, Optics Express 24 (2016).","mla":"Wahle, M., et al. “Asymmetric Band Gap Shift in Electrically Addressed Blue Phase Photonic Crystal Fibers.” <i>Optics Express</i>, vol. 24, no. 20, 22718, The Optical Society, 2016, doi:<a href=\"https://doi.org/10.1364/oe.24.022718\">10.1364/oe.24.022718</a>.","ama":"Wahle M, Ebel J, Wilkes D, Kitzerow H-S. Asymmetric band gap shift in electrically addressed blue phase photonic crystal fibers. <i>Optics Express</i>. 2016;24(20). doi:<a href=\"https://doi.org/10.1364/oe.24.022718\">10.1364/oe.24.022718</a>","bibtex":"@article{Wahle_Ebel_Wilkes_Kitzerow_2016, title={Asymmetric band gap shift in electrically addressed blue phase photonic crystal fibers}, volume={24}, DOI={<a href=\"https://doi.org/10.1364/oe.24.022718\">10.1364/oe.24.022718</a>}, number={2022718}, journal={Optics Express}, publisher={The Optical Society}, author={Wahle, M. and Ebel, J. and Wilkes, D. and Kitzerow, Heinz-Siegfried}, year={2016} }"}},{"department":[{"_id":"313"},{"_id":"230"},{"_id":"638"}],"type":"book_chapter","date_created":"2023-01-24T17:46:12Z","citation":{"ama":"Sharma A, Urbanski M, Mori T, Kitzerow H-S, Hegmann T. Metallic and semiconducting nanoparticles in LCs. In: <i>Series in Soft Condensed Matter</i>. WORLD SCIENTIFIC; 2016. doi:<a href=\"https://doi.org/10.1142/9789814619264_0014\">10.1142/9789814619264_0014</a>","bibtex":"@inbook{Sharma_Urbanski_Mori_Kitzerow_Hegmann_2016, title={Metallic and semiconducting nanoparticles in LCs}, DOI={<a href=\"https://doi.org/10.1142/9789814619264_0014\">10.1142/9789814619264_0014</a>}, booktitle={Series in Soft Condensed Matter}, publisher={WORLD SCIENTIFIC}, author={Sharma, Anshul and Urbanski, Martin and Mori, Taizo and Kitzerow, Heinz-Siegfried and Hegmann, Torsten}, year={2016} }","mla":"Sharma, Anshul, et al. “Metallic and Semiconducting Nanoparticles in LCs.” <i>Series in Soft Condensed Matter</i>, WORLD SCIENTIFIC, 2016, doi:<a href=\"https://doi.org/10.1142/9789814619264_0014\">10.1142/9789814619264_0014</a>.","chicago":"Sharma, Anshul, Martin Urbanski, Taizo Mori, Heinz-Siegfried Kitzerow, and Torsten Hegmann. “Metallic and Semiconducting Nanoparticles in LCs.” In <i>Series in Soft Condensed Matter</i>. WORLD SCIENTIFIC, 2016. <a href=\"https://doi.org/10.1142/9789814619264_0014\">https://doi.org/10.1142/9789814619264_0014</a>.","short":"A. Sharma, M. Urbanski, T. Mori, H.-S. Kitzerow, T. Hegmann, in: Series in Soft Condensed Matter, WORLD SCIENTIFIC, 2016.","apa":"Sharma, A., Urbanski, M., Mori, T., Kitzerow, H.-S., &#38; Hegmann, T. (2016). Metallic and semiconducting nanoparticles in LCs. In <i>Series in Soft Condensed Matter</i>. WORLD SCIENTIFIC. <a href=\"https://doi.org/10.1142/9789814619264_0014\">https://doi.org/10.1142/9789814619264_0014</a>","ieee":"A. Sharma, M. Urbanski, T. Mori, H.-S. Kitzerow, and T. Hegmann, “Metallic and semiconducting nanoparticles in LCs,” in <i>Series in Soft Condensed Matter</i>, WORLD SCIENTIFIC, 2016."},"publication":"Series in Soft Condensed Matter","doi":"10.1142/9789814619264_0014","user_id":"254","_id":"39670","language":[{"iso":"eng"}],"publisher":"WORLD SCIENTIFIC","date_updated":"2023-01-24T17:46:56Z","publication_status":"published","author":[{"last_name":"Sharma","first_name":"Anshul","full_name":"Sharma, Anshul"},{"last_name":"Urbanski","first_name":"Martin","full_name":"Urbanski, Martin"},{"first_name":"Taizo","last_name":"Mori","full_name":"Mori, Taizo"},{"first_name":"Heinz-Siegfried","last_name":"Kitzerow","full_name":"Kitzerow, Heinz-Siegfried","id":"254"},{"last_name":"Hegmann","first_name":"Torsten","full_name":"Hegmann, Torsten"}],"publication_identifier":{"issn":["1793-1479"]},"year":"2016","status":"public","title":"Metallic and semiconducting nanoparticles in LCs"},{"citation":{"ieee":"B. Zhang and H.-S. Kitzerow, “Influence of Proton and Salt Concentration on the Chromonic Liquid Crystal Phase Diagram of Disodium Cromoglycate Solutions: Prospects and Limitations of a Host for DNA Nanostructures,” <i>The Journal of Physical Chemistry B</i>, vol. 120, no. 12, pp. 3250–3256, 2016, doi: <a href=\"https://doi.org/10.1021/acs.jpcb.6b01644\">10.1021/acs.jpcb.6b01644</a>.","apa":"Zhang, B., &#38; Kitzerow, H.-S. (2016). Influence of Proton and Salt Concentration on the Chromonic Liquid Crystal Phase Diagram of Disodium Cromoglycate Solutions: Prospects and Limitations of a Host for DNA Nanostructures. <i>The Journal of Physical Chemistry B</i>, <i>120</i>(12), 3250–3256. <a href=\"https://doi.org/10.1021/acs.jpcb.6b01644\">https://doi.org/10.1021/acs.jpcb.6b01644</a>","short":"B. Zhang, H.-S. Kitzerow, The Journal of Physical Chemistry B 120 (2016) 3250–3256.","chicago":"Zhang, Bingru, and Heinz-Siegfried Kitzerow. “Influence of Proton and Salt Concentration on the Chromonic Liquid Crystal Phase Diagram of Disodium Cromoglycate Solutions: Prospects and Limitations of a Host for DNA Nanostructures.” <i>The Journal of Physical Chemistry B</i> 120, no. 12 (2016): 3250–56. <a href=\"https://doi.org/10.1021/acs.jpcb.6b01644\">https://doi.org/10.1021/acs.jpcb.6b01644</a>.","mla":"Zhang, Bingru, and Heinz-Siegfried Kitzerow. “Influence of Proton and Salt Concentration on the Chromonic Liquid Crystal Phase Diagram of Disodium Cromoglycate Solutions: Prospects and Limitations of a Host for DNA Nanostructures.” <i>The Journal of Physical Chemistry B</i>, vol. 120, no. 12, American Chemical Society (ACS), 2016, pp. 3250–56, doi:<a href=\"https://doi.org/10.1021/acs.jpcb.6b01644\">10.1021/acs.jpcb.6b01644</a>.","bibtex":"@article{Zhang_Kitzerow_2016, title={Influence of Proton and Salt Concentration on the Chromonic Liquid Crystal Phase Diagram of Disodium Cromoglycate Solutions: Prospects and Limitations of a Host for DNA Nanostructures}, volume={120}, DOI={<a href=\"https://doi.org/10.1021/acs.jpcb.6b01644\">10.1021/acs.jpcb.6b01644</a>}, number={12}, journal={The Journal of Physical Chemistry B}, publisher={American Chemical Society (ACS)}, author={Zhang, Bingru and Kitzerow, Heinz-Siegfried}, year={2016}, pages={3250–3256} }","ama":"Zhang B, Kitzerow H-S. Influence of Proton and Salt Concentration on the Chromonic Liquid Crystal Phase Diagram of Disodium Cromoglycate Solutions: Prospects and Limitations of a Host for DNA Nanostructures. <i>The Journal of Physical Chemistry B</i>. 2016;120(12):3250-3256. doi:<a href=\"https://doi.org/10.1021/acs.jpcb.6b01644\">10.1021/acs.jpcb.6b01644</a>"},"volume":120,"user_id":"254","_id":"39686","publisher":"American Chemical Society (ACS)","page":"3250-3256","status":"public","department":[{"_id":"313"},{"_id":"230"},{"_id":"638"}],"keyword":["Materials Chemistry","Surfaces","Coatings and Films","Physical and Theoretical Chemistry"],"type":"journal_article","date_created":"2023-01-24T18:10:05Z","issue":"12","publication":"The Journal of Physical Chemistry B","doi":"10.1021/acs.jpcb.6b01644","language":[{"iso":"eng"}],"intvolume":"       120","publication_status":"published","date_updated":"2023-01-24T18:10:33Z","publication_identifier":{"issn":["1520-6106","1520-5207"]},"author":[{"last_name":"Zhang","first_name":"Bingru","full_name":"Zhang, Bingru"},{"first_name":"Heinz-Siegfried","last_name":"Kitzerow","full_name":"Kitzerow, Heinz-Siegfried","id":"254"}],"year":"2016","title":"Influence of Proton and Salt Concentration on the Chromonic Liquid Crystal Phase Diagram of Disodium Cromoglycate Solutions: Prospects and Limitations of a Host for DNA Nanostructures"},{"status":"public","_id":"39685","publisher":"Wiley","page":"1658-1666","volume":12,"user_id":"254","citation":{"apa":"Martens, K., Funck, T., Kempter, S., Roller, E.-M., Liedl, T., Blaschke, B. M., Knecht, P., Garrido, J. A., Zhang, B., &#38; Kitzerow, H.-S. (2016). Alignment and Graphene-Assisted Decoration of Lyotropic Chromonic Liquid Crystals Containing DNA Origami Nanostructures. <i>Small</i>, <i>12</i>(12), 1658–1666. <a href=\"https://doi.org/10.1002/smll.201503382\">https://doi.org/10.1002/smll.201503382</a>","ieee":"K. Martens <i>et al.</i>, “Alignment and Graphene-Assisted Decoration of Lyotropic Chromonic Liquid Crystals Containing DNA Origami Nanostructures,” <i>Small</i>, vol. 12, no. 12, pp. 1658–1666, 2016, doi: <a href=\"https://doi.org/10.1002/smll.201503382\">10.1002/smll.201503382</a>.","chicago":"Martens, Kevin, Timon Funck, Susanne Kempter, Eva-Maria Roller, Tim Liedl, Benno M. Blaschke, Peter Knecht, José Antonio Garrido, Bingru Zhang, and Heinz-Siegfried Kitzerow. “Alignment and Graphene-Assisted Decoration of Lyotropic Chromonic Liquid Crystals Containing DNA Origami Nanostructures.” <i>Small</i> 12, no. 12 (2016): 1658–66. <a href=\"https://doi.org/10.1002/smll.201503382\">https://doi.org/10.1002/smll.201503382</a>.","short":"K. Martens, T. Funck, S. Kempter, E.-M. Roller, T. Liedl, B.M. Blaschke, P. Knecht, J.A. Garrido, B. Zhang, H.-S. Kitzerow, Small 12 (2016) 1658–1666.","mla":"Martens, Kevin, et al. “Alignment and Graphene-Assisted Decoration of Lyotropic Chromonic Liquid Crystals Containing DNA Origami Nanostructures.” <i>Small</i>, vol. 12, no. 12, Wiley, 2016, pp. 1658–66, doi:<a href=\"https://doi.org/10.1002/smll.201503382\">10.1002/smll.201503382</a>.","ama":"Martens K, Funck T, Kempter S, et al. Alignment and Graphene-Assisted Decoration of Lyotropic Chromonic Liquid Crystals Containing DNA Origami Nanostructures. <i>Small</i>. 2016;12(12):1658-1666. doi:<a href=\"https://doi.org/10.1002/smll.201503382\">10.1002/smll.201503382</a>","bibtex":"@article{Martens_Funck_Kempter_Roller_Liedl_Blaschke_Knecht_Garrido_Zhang_Kitzerow_2016, title={Alignment and Graphene-Assisted Decoration of Lyotropic Chromonic Liquid Crystals Containing DNA Origami Nanostructures}, volume={12}, DOI={<a href=\"https://doi.org/10.1002/smll.201503382\">10.1002/smll.201503382</a>}, number={12}, journal={Small}, publisher={Wiley}, author={Martens, Kevin and Funck, Timon and Kempter, Susanne and Roller, Eva-Maria and Liedl, Tim and Blaschke, Benno M. and Knecht, Peter and Garrido, José Antonio and Zhang, Bingru and Kitzerow, Heinz-Siegfried}, year={2016}, pages={1658–1666} }"},"publication_identifier":{"issn":["1613-6810"]},"author":[{"full_name":"Martens, Kevin","first_name":"Kevin","last_name":"Martens"},{"full_name":"Funck, Timon","last_name":"Funck","first_name":"Timon"},{"full_name":"Kempter, Susanne","first_name":"Susanne","last_name":"Kempter"},{"first_name":"Eva-Maria","last_name":"Roller","full_name":"Roller, Eva-Maria"},{"last_name":"Liedl","first_name":"Tim","full_name":"Liedl, Tim"},{"full_name":"Blaschke, Benno M.","last_name":"Blaschke","first_name":"Benno M."},{"full_name":"Knecht, Peter","last_name":"Knecht","first_name":"Peter"},{"full_name":"Garrido, José Antonio","first_name":"José Antonio","last_name":"Garrido"},{"full_name":"Zhang, Bingru","last_name":"Zhang","first_name":"Bingru"},{"last_name":"Kitzerow","first_name":"Heinz-Siegfried","full_name":"Kitzerow, Heinz-Siegfried","id":"254"}],"title":"Alignment and Graphene-Assisted Decoration of Lyotropic Chromonic Liquid Crystals Containing DNA Origami Nanostructures","year":"2016","intvolume":"        12","publication_status":"published","date_updated":"2023-01-24T18:09:38Z","language":[{"iso":"eng"}],"doi":"10.1002/smll.201503382","publication":"Small","issue":"12","date_created":"2023-01-24T18:09:03Z","department":[{"_id":"313"},{"_id":"230"},{"_id":"638"}],"type":"journal_article","keyword":["Biomaterials","Biotechnology","General Materials Science","General Chemistry"]},{"department":[{"_id":"15"},{"_id":"170"},{"_id":"293"},{"_id":"2"},{"_id":"308"},{"_id":"230"}],"type":"journal_article","date_created":"2019-10-18T08:31:34Z","abstract":[{"lang":"eng","text":"We present the synthesis of indium oxide (In2O3) inverse opal films with photonic stop bands in the visible range by a structure replication method. Artificial opal films made of poly(methyl methacrylate) (PMMA) spheres are utilized as template. The opal films are deposited via sedimentation facilitated by ultrasonication, and then impregnated by indium nitrate solution, which is thermally converted to In2O3 after drying. The quality of the resulting inverse opal film depends on many parameters; in this study the water content of the indium nitrate/PMMA composite after drying is investigated. Comparison of the reflectance spectra recorded by vis-spectroscopy with simulated data shows a good agreement between the peak position and calculated stop band positions for the inverse opals. This synthesis is less complex and highly efficient compared to most other techniques and is suitable for use in many applications."}],"publication":"Photonics and Nanostructures - Fundamentals and Applications","doi":"10.1016/j.photonics.2016.02.005","language":[{"iso":"eng"}],"intvolume":"        19","date_updated":"2023-04-16T21:20:25Z","publication_status":"published","author":[{"full_name":"Amrehn, Sabrina","last_name":"Amrehn","first_name":"Sabrina"},{"first_name":"Daniel","last_name":"Berghoff","full_name":"Berghoff, Daniel","id":"38175"},{"last_name":"Nikitin","first_name":"Andreas","full_name":"Nikitin, Andreas"},{"last_name":"Reichelt","first_name":"Matthias","full_name":"Reichelt, Matthias","id":"138"},{"full_name":"Wu, Xia","last_name":"Wu","first_name":"Xia"},{"orcid":"0000-0001-8864-2072","last_name":"Meier","first_name":"Torsten","full_name":"Meier, Torsten","id":"344"},{"full_name":"Wagner, Thorsten","first_name":"Thorsten","last_name":"Wagner"}],"publication_identifier":{"issn":["1569-4410"]},"year":"2016","title":"Indium oxide inverse opal films synthesized by structure replication method","project":[{"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":"Amrehn, Sabrina, et al. “Indium Oxide Inverse Opal Films Synthesized by Structure Replication Method.” <i>Photonics and Nanostructures - Fundamentals and Applications</i>, vol. 19, 2016, pp. 55–63, doi:<a href=\"https://doi.org/10.1016/j.photonics.2016.02.005\">10.1016/j.photonics.2016.02.005</a>.","ama":"Amrehn S, Berghoff D, Nikitin A, et al. Indium oxide inverse opal films synthesized by structure replication method. <i>Photonics and Nanostructures - Fundamentals and Applications</i>. 2016;19:55-63. doi:<a href=\"https://doi.org/10.1016/j.photonics.2016.02.005\">10.1016/j.photonics.2016.02.005</a>","bibtex":"@article{Amrehn_Berghoff_Nikitin_Reichelt_Wu_Meier_Wagner_2016, title={Indium oxide inverse opal films synthesized by structure replication method}, volume={19}, DOI={<a href=\"https://doi.org/10.1016/j.photonics.2016.02.005\">10.1016/j.photonics.2016.02.005</a>}, journal={Photonics and Nanostructures - Fundamentals and Applications}, author={Amrehn, Sabrina and Berghoff, Daniel and Nikitin, Andreas and Reichelt, Matthias and Wu, Xia and Meier, Torsten and Wagner, Thorsten}, year={2016}, pages={55–63} }","apa":"Amrehn, S., Berghoff, D., Nikitin, A., Reichelt, M., Wu, X., Meier, T., &#38; Wagner, T. (2016). Indium oxide inverse opal films synthesized by structure replication method. <i>Photonics and Nanostructures - Fundamentals and Applications</i>, <i>19</i>, 55–63. <a href=\"https://doi.org/10.1016/j.photonics.2016.02.005\">https://doi.org/10.1016/j.photonics.2016.02.005</a>","ieee":"S. Amrehn <i>et al.</i>, “Indium oxide inverse opal films synthesized by structure replication method,” <i>Photonics and Nanostructures - Fundamentals and Applications</i>, vol. 19, pp. 55–63, 2016, doi: <a href=\"https://doi.org/10.1016/j.photonics.2016.02.005\">10.1016/j.photonics.2016.02.005</a>.","chicago":"Amrehn, Sabrina, Daniel Berghoff, Andreas Nikitin, Matthias Reichelt, Xia Wu, Torsten Meier, and Thorsten Wagner. “Indium Oxide Inverse Opal Films Synthesized by Structure Replication Method.” <i>Photonics and Nanostructures - Fundamentals and Applications</i> 19 (2016): 55–63. <a href=\"https://doi.org/10.1016/j.photonics.2016.02.005\">https://doi.org/10.1016/j.photonics.2016.02.005</a>.","short":"S. Amrehn, D. Berghoff, A. Nikitin, M. Reichelt, X. Wu, T. Meier, T. Wagner, Photonics and Nanostructures - Fundamentals and Applications 19 (2016) 55–63."},"volume":19,"user_id":"49063","_id":"13917","funded_apc":"1","page":"55-63","status":"public"},{"status":"public","funded_apc":"1","_id":"13915","volume":94,"user_id":"49063","citation":{"short":"R. Driben, V.V. Konotop, B.A. Malomed, T. Meier, Physical Review E 94 (2016).","chicago":"Driben, R., V. V. Konotop, B. A. Malomed, and Torsten Meier. “Dynamics of Dipoles and Vortices in Nonlinearly Coupled Three-Dimensional Field Oscillators.” <i>Physical Review E</i> 94, no. 1 (2016). <a href=\"https://doi.org/10.1103/physreve.94.012207\">https://doi.org/10.1103/physreve.94.012207</a>.","apa":"Driben, R., Konotop, V. V., Malomed, B. A., &#38; Meier, T. (2016). Dynamics of dipoles and vortices in nonlinearly coupled three-dimensional field oscillators. <i>Physical Review E</i>, <i>94</i>(1). <a href=\"https://doi.org/10.1103/physreve.94.012207\">https://doi.org/10.1103/physreve.94.012207</a>","ieee":"R. Driben, V. V. Konotop, B. A. Malomed, and T. Meier, “Dynamics of dipoles and vortices in nonlinearly coupled three-dimensional field oscillators,” <i>Physical Review E</i>, vol. 94, no. 1, 2016, doi: <a href=\"https://doi.org/10.1103/physreve.94.012207\">10.1103/physreve.94.012207</a>.","ama":"Driben R, Konotop VV, Malomed BA, Meier T. Dynamics of dipoles and vortices in nonlinearly coupled three-dimensional field oscillators. <i>Physical Review E</i>. 2016;94(1). doi:<a href=\"https://doi.org/10.1103/physreve.94.012207\">10.1103/physreve.94.012207</a>","bibtex":"@article{Driben_Konotop_Malomed_Meier_2016, title={Dynamics of dipoles and vortices in nonlinearly coupled three-dimensional field oscillators}, volume={94}, DOI={<a href=\"https://doi.org/10.1103/physreve.94.012207\">10.1103/physreve.94.012207</a>}, number={1}, journal={Physical Review E}, author={Driben, R. and Konotop, V. V. and Malomed, B. A. and Meier, Torsten}, year={2016} }","mla":"Driben, R., et al. “Dynamics of Dipoles and Vortices in Nonlinearly Coupled Three-Dimensional Field Oscillators.” <i>Physical Review E</i>, vol. 94, no. 1, 2016, doi:<a href=\"https://doi.org/10.1103/physreve.94.012207\">10.1103/physreve.94.012207</a>."},"author":[{"full_name":"Driben, R.","last_name":"Driben","first_name":"R."},{"full_name":"Konotop, V. V.","first_name":"V. V.","last_name":"Konotop"},{"full_name":"Malomed, B. A.","last_name":"Malomed","first_name":"B. A."},{"full_name":"Meier, Torsten","last_name":"Meier","first_name":"Torsten","orcid":"0000-0001-8864-2072","id":"344"}],"publication_identifier":{"issn":["2470-0045","2470-0053"]},"year":"2016","title":"Dynamics of dipoles and vortices in nonlinearly coupled three-dimensional field oscillators","intvolume":"        94","publication_status":"published","date_updated":"2023-04-16T21:19:43Z","language":[{"iso":"eng"}],"doi":"10.1103/physreve.94.012207","publication":"Physical Review E","issue":"1","abstract":[{"lang":"eng","text":"The dynamics of a pair of harmonic oscillators represented by three-dimensional fields coupled with a repulsive cubic nonlinearity is investigated through direct simulations of the respective field equations and with the help of the finite-mode Galerkin approximation (GA), which represents the two interacting fields by a superposition of \r\n3+3 harmonic-oscillator p-wave eigenfunctions with orbital and magnetic quantum numbers l=1 and m=1, 0, −1. The system can be implemented in binary Bose-Einstein condensates, demonstrating the potential of the atomic condensates to emulate various complex modes predicted by classical field theories. First, the GA very accurately predicts a broadly degenerate set of the system's ground states in the p-wave manifold, in the form of complexes built of a dipole coaxial with another dipole or vortex, as well as complexes built of mutually orthogonal dipoles. Next, pairs of noncoaxial vortices and/or dipoles, including pairs of mutually perpendicular vortices, develop remarkably stable dynamical regimes, which feature periodic exchange of the angular momentum and periodic switching between dipoles and vortices. For a moderately strong nonlinearity, simulations of the coupled-field equations agree very well with results produced by the GA, demonstrating that the dynamics is accurately spanned by the set of six modes limited to l=1."}],"date_created":"2019-10-18T08:29:20Z","department":[{"_id":"15"},{"_id":"170"},{"_id":"293"},{"_id":"230"}],"type":"journal_article"},{"department":[{"_id":"15"},{"_id":"170"},{"_id":"293"},{"_id":"230"}],"type":"conference","date_created":"2019-10-18T08:33:43Z","publication":"Ultrafast Phenomena and Nanophotonics XX","doi":"10.1117/12.2208572","language":[{"iso":"eng"}],"series_title":"SPIE Proceedings","article_number":"97460W","intvolume":"      9746","date_updated":"2023-04-16T21:21:21Z","publication_status":"published","author":[{"first_name":"Reinold","last_name":"Podzimski","full_name":"Podzimski, Reinold"},{"full_name":"Duc, Huynh Thanh","first_name":"Huynh Thanh","last_name":"Duc"},{"last_name":"Priyadarshi","first_name":"Shekhar","full_name":"Priyadarshi, Shekhar"},{"last_name":"Schmidt","first_name":"Christian","full_name":"Schmidt, Christian"},{"first_name":"Mark","last_name":"Bieler","full_name":"Bieler, Mark"},{"full_name":"Meier, Torsten","last_name":"Meier","first_name":"Torsten","orcid":"0000-0001-8864-2072","id":"344"}],"title":"Photocurrents in semiconductors and semiconductor quantum wells analyzed by k.p-based Bloch equations","year":"2016","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"},{"name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"citation":{"bibtex":"@inproceedings{Podzimski_Duc_Priyadarshi_Schmidt_Bieler_Meier_2016, series={SPIE Proceedings}, title={Photocurrents in semiconductors and semiconductor quantum wells analyzed by k.p-based Bloch equations}, volume={9746}, DOI={<a href=\"https://doi.org/10.1117/12.2208572\">10.1117/12.2208572</a>}, number={97460W}, booktitle={Ultrafast Phenomena and Nanophotonics XX}, publisher={SPIE}, author={Podzimski, Reinold and Duc, Huynh Thanh and Priyadarshi, Shekhar and Schmidt, Christian and Bieler, Mark and Meier, Torsten}, editor={Betz, Markus and Elezzabi, Abdulhakem Y.}, year={2016}, collection={SPIE Proceedings} }","ama":"Podzimski R, Duc HT, Priyadarshi S, Schmidt C, Bieler M, Meier T. Photocurrents in semiconductors and semiconductor quantum wells analyzed by k.p-based Bloch equations. In: Betz M, Elezzabi AY, eds. <i>Ultrafast Phenomena and Nanophotonics XX</i>. Vol 9746. SPIE Proceedings. SPIE; 2016. doi:<a href=\"https://doi.org/10.1117/12.2208572\">10.1117/12.2208572</a>","mla":"Podzimski, Reinold, et al. “Photocurrents in Semiconductors and Semiconductor Quantum Wells Analyzed by k.p-Based Bloch Equations.” <i>Ultrafast Phenomena and Nanophotonics XX</i>, edited by Markus Betz and Abdulhakem Y. Elezzabi, vol. 9746, 97460W, SPIE, 2016, doi:<a href=\"https://doi.org/10.1117/12.2208572\">10.1117/12.2208572</a>.","chicago":"Podzimski, Reinold, Huynh Thanh Duc, Shekhar Priyadarshi, Christian Schmidt, Mark Bieler, and Torsten Meier. “Photocurrents in Semiconductors and Semiconductor Quantum Wells Analyzed by k.p-Based Bloch Equations.” In <i>Ultrafast Phenomena and Nanophotonics XX</i>, edited by Markus Betz and Abdulhakem Y. Elezzabi, Vol. 9746. SPIE Proceedings. SPIE, 2016. <a href=\"https://doi.org/10.1117/12.2208572\">https://doi.org/10.1117/12.2208572</a>.","short":"R. Podzimski, H.T. Duc, S. Priyadarshi, C. Schmidt, M. Bieler, T. Meier, in: M. Betz, A.Y. Elezzabi (Eds.), Ultrafast Phenomena and Nanophotonics XX, SPIE, 2016.","ieee":"R. Podzimski, H. T. Duc, S. Priyadarshi, C. Schmidt, M. Bieler, and T. Meier, “Photocurrents in semiconductors and semiconductor quantum wells analyzed by k.p-based Bloch equations,” in <i>Ultrafast Phenomena and Nanophotonics XX</i>, 2016, vol. 9746, doi: <a href=\"https://doi.org/10.1117/12.2208572\">10.1117/12.2208572</a>.","apa":"Podzimski, R., Duc, H. T., Priyadarshi, S., Schmidt, C., Bieler, M., &#38; Meier, T. (2016). Photocurrents in semiconductors and semiconductor quantum wells analyzed by k.p-based Bloch equations. In M. Betz &#38; A. Y. Elezzabi (Eds.), <i>Ultrafast Phenomena and Nanophotonics XX</i> (No. 97460W; Vol. 9746). SPIE. <a href=\"https://doi.org/10.1117/12.2208572\">https://doi.org/10.1117/12.2208572</a>"},"editor":[{"last_name":"Betz","first_name":"Markus","full_name":"Betz, Markus"},{"last_name":"Elezzabi","first_name":"Abdulhakem Y.","full_name":"Elezzabi, Abdulhakem Y."}],"volume":9746,"user_id":"49063","_id":"13918","publisher":"SPIE","status":"public"},{"doi":"10.1103/physrevb.94.085305","language":[{"iso":"eng"}],"article_number":"085305","intvolume":"        94","publication_status":"published","date_updated":"2023-04-16T21:18:16Z","publication_identifier":{"issn":["2469-9950","2469-9969"]},"author":[{"full_name":"Duc, Huynh Thanh","last_name":"Duc","first_name":"Huynh Thanh"},{"full_name":"Podzimski, Reinold","last_name":"Podzimski","first_name":"Reinold"},{"last_name":"Priyadarshi","first_name":"Shekhar","full_name":"Priyadarshi, Shekhar"},{"first_name":"Mark","last_name":"Bieler","full_name":"Bieler, Mark"},{"id":"344","last_name":"Meier","first_name":"Torsten","orcid":"0000-0001-8864-2072","full_name":"Meier, Torsten"}],"year":"2016","title":"Ultrafast shift and rectification photocurrents in GaAs quantum wells: Excitation intensity dependence and the importance of band mixing","department":[{"_id":"15"},{"_id":"170"},{"_id":"293"},{"_id":"230"}],"type":"journal_article","date_created":"2021-08-06T08:41:28Z","abstract":[{"lang":"eng","text":"A microscopic approach that is based on the multisubband semiconductor Bloch equations formulated in the basis of a 14-band k⋅p model is employed to compute the temporal dynamics of photocurrents in GaAs quantum wells following excitation with femtosecond laser pulses. This approach provides a transparent description of the interband, intersubband, and intraband excitations, fully includes all resonant as well as off-resonant excitations, and treats the light-matter interaction nonperturbatively. For linearly polarized excitations, the photocurrents contain contributions from shift and rectification currents. We numerically compute and analyze these currents generated by excitation with femtosecond laser pulses for [110]- and [111]-oriented GaAs quantum wells. It is shown that the often employed perturbative \r\nχ(2) approach breaks down for peak fields larger than about 10 kV/cm, and that nonperturbative effects lead to a reduction of the peak values of the shift and rectification currents and to temporal oscillations that originate from Rabi flopping. In particular, we find a complex oscillatory photon energy dependence of the magnitudes of the shift and rectification currents. Our simulations demonstrate that this dependence is the result of mixing between the heavy- and light-hole valence bands. This is a surprising finding since the band mixing has an even larger influence on the strength of the photocurrents than the absorption coefficient. For [110]-oriented GaAs quantum wells, the calculated photon energy dependence is compared to experimental results, and good agreement is obtained. This validates our theoretical approach."}],"issue":"8","publication":"Physical Review B","volume":94,"user_id":"49063","_id":"22942","publisher":"American Physical Society","status":"public","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"},{"_id":"52","name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"citation":{"ieee":"H. T. Duc, R. Podzimski, S. Priyadarshi, M. Bieler, and T. Meier, “Ultrafast shift and rectification photocurrents in GaAs quantum wells: Excitation intensity dependence and the importance of band mixing,” <i>Physical Review B</i>, vol. 94, no. 8, Art. no. 085305, 2016, doi: <a href=\"https://doi.org/10.1103/physrevb.94.085305\">10.1103/physrevb.94.085305</a>.","apa":"Duc, H. T., Podzimski, R., Priyadarshi, S., Bieler, M., &#38; Meier, T. (2016). Ultrafast shift and rectification photocurrents in GaAs quantum wells: Excitation intensity dependence and the importance of band mixing. <i>Physical Review B</i>, <i>94</i>(8), Article 085305. <a href=\"https://doi.org/10.1103/physrevb.94.085305\">https://doi.org/10.1103/physrevb.94.085305</a>","short":"H.T. Duc, R. Podzimski, S. Priyadarshi, M. Bieler, T. Meier, Physical Review B 94 (2016).","chicago":"Duc, Huynh Thanh, Reinold Podzimski, Shekhar Priyadarshi, Mark Bieler, and Torsten Meier. “Ultrafast Shift and Rectification Photocurrents in GaAs Quantum Wells: Excitation Intensity Dependence and the Importance of Band Mixing.” <i>Physical Review B</i> 94, no. 8 (2016). <a href=\"https://doi.org/10.1103/physrevb.94.085305\">https://doi.org/10.1103/physrevb.94.085305</a>.","mla":"Duc, Huynh Thanh, et al. “Ultrafast Shift and Rectification Photocurrents in GaAs Quantum Wells: Excitation Intensity Dependence and the Importance of Band Mixing.” <i>Physical Review B</i>, vol. 94, no. 8, 085305, American Physical Society, 2016, doi:<a href=\"https://doi.org/10.1103/physrevb.94.085305\">10.1103/physrevb.94.085305</a>.","bibtex":"@article{Duc_Podzimski_Priyadarshi_Bieler_Meier_2016, title={Ultrafast shift and rectification photocurrents in GaAs quantum wells: Excitation intensity dependence and the importance of band mixing}, volume={94}, DOI={<a href=\"https://doi.org/10.1103/physrevb.94.085305\">10.1103/physrevb.94.085305</a>}, number={8085305}, journal={Physical Review B}, publisher={American Physical Society}, author={Duc, Huynh Thanh and Podzimski, Reinold and Priyadarshi, Shekhar and Bieler, Mark and Meier, Torsten}, year={2016} }","ama":"Duc HT, Podzimski R, Priyadarshi S, Bieler M, Meier T. Ultrafast shift and rectification photocurrents in GaAs quantum wells: Excitation intensity dependence and the importance of band mixing. <i>Physical Review B</i>. 2016;94(8). doi:<a href=\"https://doi.org/10.1103/physrevb.94.085305\">10.1103/physrevb.94.085305</a>"}},{"status":"public","user_id":"49063","volume":6,"_id":"13916","funded_apc":"1","citation":{"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>.","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>","short":"R. Driben, V.V. Konotop, T. Meier, Scientific Reports 6 (2016).","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>.","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>.","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} }","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>"},"oa":"1","publication_status":"published","date_updated":"2023-04-16T21:22:52Z","intvolume":"         6","year":"2016","title":"Precession and nutation dynamics of nonlinearly coupled non-coaxial three-dimensional matter wave vortices","author":[{"last_name":"Driben","first_name":"R.","full_name":"Driben, R."},{"last_name":"Konotop","first_name":"V. V.","full_name":"Konotop, V. V."},{"full_name":"Meier, Torsten","orcid":"0000-0001-8864-2072","first_name":"Torsten","last_name":"Meier","id":"344"}],"publication_identifier":{"issn":["2045-2322"]},"doi":"10.1038/srep22758","article_number":"22758","main_file_link":[{"url":"https://www.nature.com/articles/srep22758","open_access":"1"}],"language":[{"iso":"eng"}],"abstract":[{"lang":"eng","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."}],"publication":"Scientific Reports","type":"journal_article","department":[{"_id":"15"},{"_id":"170"},{"_id":"293"},{"_id":"230"}],"date_created":"2019-10-18T08:30:23Z"},{"user_id":"49063","volume":93,"_id":"13920","funded_apc":"1","status":"public","project":[{"_id":"53","name":"TRR 142"},{"_id":"54","name":"TRR 142 - Project Area A"},{"name":"TRR 142 - Subproject A2","_id":"59"},{"_id":"64","name":"TRR 142 - Subproject A7"},{"_id":"56","name":"TRR 142 - Project Area C"},{"_id":"72","name":"TRR 142 - Subproject C2"},{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"},{"_id":"52","name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"citation":{"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).","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} }"},"doi":"10.1103/physrevb.93.075201","language":[{"iso":"eng"}],"publication_status":"published","date_updated":"2023-04-16T21:23:54Z","intvolume":"        93","title":"Ultrafast dynamical response of the lower exciton-polariton branch in CdZnTe","year":"2016","author":[{"last_name":"Lohrenz","first_name":"J.","full_name":"Lohrenz, J."},{"full_name":"Melzer, S.","last_name":"Melzer","first_name":"S."},{"last_name":"Ruppert","first_name":"C.","full_name":"Ruppert, C."},{"full_name":"Akimov, I. A.","last_name":"Akimov","first_name":"I. A."},{"first_name":"H.","last_name":"Mariette","full_name":"Mariette, H."},{"full_name":"Reichelt, Matthias","first_name":"Matthias","last_name":"Reichelt","id":"138"},{"last_name":"Trautmann","first_name":"Alexander","full_name":"Trautmann, Alexander","id":"38163"},{"last_name":"Meier","first_name":"Torsten","orcid":"0000-0001-8864-2072","full_name":"Meier, Torsten","id":"344"},{"full_name":"Betz, M.","first_name":"M.","last_name":"Betz"}],"publication_identifier":{"issn":["2469-9950","2469-9969"]},"type":"journal_article","department":[{"_id":"15"},{"_id":"170"},{"_id":"293"},{"_id":"230"},{"_id":"429"}],"date_created":"2019-10-18T08:38:50Z","abstract":[{"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.","lang":"eng"}],"publication":"Physical Review B","issue":"7"},{"publisher":"American Physical Society","_id":"10024","volume":93,"ddc":["530"],"user_id":"16199","status":"public","has_accepted_license":"1","external_id":{"isi":["000370794800004"]},"oa":"1","citation":{"short":"A. Riefer, M. Friedrich, S. Sanna, U. Gerstmann, A. Schindlmayr, W.G. Schmidt, Physical Review B 93 (2016).","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>.","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>","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>."},"isi":"1","file_date_updated":"2020-08-30T14:39:23Z","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"},{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"quality_controlled":"1","language":[{"iso":"eng"}],"article_number":"075205","doi":"10.1103/PhysRevB.93.075205","author":[{"last_name":"Riefer","first_name":"Arthur","full_name":"Riefer, Arthur"},{"full_name":"Friedrich, Michael","last_name":"Friedrich","first_name":"Michael"},{"full_name":"Sanna, Simone","first_name":"Simone","last_name":"Sanna"},{"first_name":"Uwe","orcid":"0000-0002-4476-223X","last_name":"Gerstmann","full_name":"Gerstmann, Uwe","id":"171"},{"full_name":"Schindlmayr, Arno","first_name":"Arno","last_name":"Schindlmayr","orcid":"0000-0002-4855-071X","id":"458"},{"full_name":"Schmidt, Wolf Gero","first_name":"Wolf Gero","orcid":"0000-0002-2717-5076","last_name":"Schmidt","id":"468"}],"publication_identifier":{"eissn":["2469-9969"],"issn":["2469-9950"]},"year":"2016","title":"LiNbO3 electronic structure: Many-body interactions, spin-orbit coupling, and thermal effects","intvolume":"        93","article_type":"original","date_updated":"2025-12-05T09:59:57Z","publication_status":"published","date_created":"2019-05-29T07:50:59Z","file":[{"date_created":"2020-08-27T20:36:43Z","description":"© 2016 American Physical Society","creator":"schindlm","file_id":"18469","content_type":"application/pdf","title":"LiNbO3 electronic structure: Many-body interactions, spin-orbit coupling, and thermal effects","file_name":"PhysRevB.93.075205.pdf","access_level":"open_access","file_size":1314637,"relation":"main_file","date_updated":"2020-08-30T14:39:23Z"}],"department":[{"_id":"295"},{"_id":"296"},{"_id":"230"},{"_id":"429"},{"_id":"790"},{"_id":"15"},{"_id":"35"},{"_id":"27"}],"type":"journal_article","publication":"Physical Review B","issue":"7","abstract":[{"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.","lang":"eng"}]},{"quality_controlled":"1","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"},{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"file_date_updated":"2020-08-30T14:41:39Z","isi":"1","citation":{"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>.","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>","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} }","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>","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>.","short":"M. Friedrich, A. Schindlmayr, W.G. Schmidt, S. Sanna, Physica Status Solidi B 253 (2016) 683–689.","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>."},"external_id":{"isi":["000374142500015"]},"has_accepted_license":"1","status":"public","ddc":["530"],"user_id":"16199","volume":253,"page":"683-689","_id":"10025","publisher":"Wiley-VCH","abstract":[{"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.","lang":"eng"}],"publication":"Physica Status Solidi B","issue":"4","type":"journal_article","department":[{"_id":"295"},{"_id":"296"},{"_id":"230"},{"_id":"429"},{"_id":"15"},{"_id":"35"},{"_id":"27"}],"file":[{"file_size":402594,"access_level":"closed","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","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","publication_identifier":{"eissn":["1521-3951"],"issn":["0370-1972"]},"author":[{"full_name":"Friedrich, Michael","last_name":"Friedrich","first_name":"Michael"},{"full_name":"Schindlmayr, Arno","last_name":"Schindlmayr","orcid":"0000-0002-4855-071X","first_name":"Arno","id":"458"},{"id":"468","full_name":"Schmidt, Wolf Gero","first_name":"Wolf Gero","last_name":"Schmidt","orcid":"0000-0002-2717-5076"},{"full_name":"Sanna, Simone","first_name":"Simone","last_name":"Sanna"}],"doi":"10.1002/pssb.201552576","language":[{"iso":"eng"}]},{"project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"citation":{"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>","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>.","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).","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>.","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>","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} }"},"volume":27,"user_id":"16199","_id":"13492","funded_apc":"1","status":"public","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"27"}],"type":"journal_article","date_created":"2019-09-30T12:29:16Z","publication":"Nanotechnology","doi":"10.1088/0957-4484/27/2/025704","language":[{"iso":"eng"}],"article_number":"025704","intvolume":"        27","date_updated":"2025-12-05T10:20:57Z","publication_status":"published","author":[{"first_name":"Stefano","last_name":"Tebi","full_name":"Tebi, Stefano"},{"full_name":"Aldahhak, Hazem","last_name":"Aldahhak","first_name":"Hazem"},{"full_name":"Serrano, Giulia","last_name":"Serrano","first_name":"Giulia"},{"full_name":"Schöfberger, Wolfgang","last_name":"Schöfberger","first_name":"Wolfgang"},{"full_name":"Rauls, Eva","last_name":"Rauls","first_name":"Eva"},{"id":"468","full_name":"Schmidt, Wolf Gero","orcid":"0000-0002-2717-5076","last_name":"Schmidt","first_name":"Wolf Gero"},{"full_name":"Koch, Reinhold","last_name":"Koch","first_name":"Reinhold"},{"full_name":"Müllegger, Stefan","last_name":"Müllegger","first_name":"Stefan"}],"publication_identifier":{"issn":["0957-4484","1361-6528"]},"title":"Manipulation resolves non-trivial structure of corrole monolayer on Ag(111)","year":"2016"},{"date_updated":"2025-12-05T10:21:25Z","publication_status":"published","author":[{"full_name":"Schöfberger, Wolfgang","last_name":"Schöfberger","first_name":"Wolfgang"},{"full_name":"Faschinger, Felix","last_name":"Faschinger","first_name":"Felix"},{"first_name":"Samir","last_name":"Chattopadhyay","full_name":"Chattopadhyay, Samir"},{"first_name":"Snehadri","last_name":"Bhakta","full_name":"Bhakta, Snehadri"},{"first_name":"Biswajit","last_name":"Mondal","full_name":"Mondal, Biswajit"},{"full_name":"Elemans, Johannes A. A. W.","first_name":"Johannes A. A. W.","last_name":"Elemans"},{"full_name":"Müllegger, Stefan","last_name":"Müllegger","first_name":"Stefan"},{"full_name":"Tebi, Stefano","first_name":"Stefano","last_name":"Tebi"},{"full_name":"Koch, Reinhold","last_name":"Koch","first_name":"Reinhold"},{"first_name":"Florian","last_name":"Klappenberger","full_name":"Klappenberger, Florian"},{"first_name":"Mateusz","last_name":"Paszkiewicz","full_name":"Paszkiewicz, Mateusz"},{"full_name":"Barth, Johannes V.","last_name":"Barth","first_name":"Johannes V."},{"first_name":"Eva","last_name":"Rauls","full_name":"Rauls, Eva"},{"first_name":"Hazem","last_name":"Aldahhak","full_name":"Aldahhak, Hazem"},{"first_name":"Wolf Gero","orcid":"0000-0002-2717-5076","last_name":"Schmidt","full_name":"Schmidt, Wolf Gero","id":"468"},{"full_name":"Dey, Abhishek","first_name":"Abhishek","last_name":"Dey"}],"publication_identifier":{"issn":["1433-7851"]},"year":"2016","title":"A Bifunctional Electrocatalyst for Oxygen Evolution and Oxygen Reduction Reactions in Water","status":"public","doi":"10.1002/anie.201508404","user_id":"16199","_id":"13491","language":[{"iso":"eng"}],"page":"2350-2355","citation":{"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>.","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>."},"publication":"Angewandte Chemie International Edition","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"}],"type":"journal_article","date_created":"2019-09-30T12:27:10Z"},{"intvolume":"        55","publication_status":"published","date_updated":"2025-12-05T10:26:19Z","publication_identifier":{"issn":["0020-1669","1520-510X"]},"author":[{"first_name":"Nora Jenny","last_name":"Vollmers","full_name":"Vollmers, Nora Jenny"},{"full_name":"Müller, Patrick","last_name":"Müller","first_name":"Patrick"},{"first_name":"Alexander","last_name":"Hoffmann","full_name":"Hoffmann, Alexander"},{"first_name":"Sonja","last_name":"Herres-Pawlis","full_name":"Herres-Pawlis, Sonja"},{"last_name":"Rohrmüller","first_name":"Martin","full_name":"Rohrmüller, Martin"},{"full_name":"Schmidt, Wolf Gero","first_name":"Wolf Gero","orcid":"0000-0002-2717-5076","last_name":"Schmidt","id":"468"},{"id":"171","full_name":"Gerstmann, Uwe","orcid":"0000-0002-4476-223X","first_name":"Uwe","last_name":"Gerstmann"},{"full_name":"Bauer, Matthias","last_name":"Bauer","first_name":"Matthias","orcid":"0000-0002-9294-6076","id":"47241"}],"title":"Experimental and Theoretical High-Energy-Resolution X-ray Absorption Spectroscopy: Implications for the Investigation of the Entatic State","year":"2016","status":"public","volume":55,"user_id":"16199","doi":"10.1021/acs.inorgchem.6b01704","_id":"13476","language":[{"iso":"eng"}],"page":"11694-11706","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"citation":{"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>","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} }","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.","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>","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>."},"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"},{"issue":"23-24","publication":"Journal of Computational Chemistry","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"2"},{"_id":"305"},{"_id":"230"},{"_id":"27"}],"type":"journal_article","date_created":"2019-09-30T11:34:50Z","intvolume":"        37","date_updated":"2025-12-05T10:25:31Z","publication_status":"published","author":[{"last_name":"Witte","first_name":"Matthias","full_name":"Witte, Matthias"},{"full_name":"Grimm-Lebsanft, Benjamin","first_name":"Benjamin","last_name":"Grimm-Lebsanft"},{"full_name":"Goos, Arne","first_name":"Arne","last_name":"Goos"},{"full_name":"Binder, Stephan","last_name":"Binder","first_name":"Stephan"},{"last_name":"Rübhausen","first_name":"Michael","full_name":"Rübhausen, Michael"},{"full_name":"Bernard, Martin","last_name":"Bernard","first_name":"Martin"},{"full_name":"Neuba, Adam","last_name":"Neuba","first_name":"Adam"},{"full_name":"Gorelsky, Serge","last_name":"Gorelsky","first_name":"Serge"},{"full_name":"Gerstmann, Uwe","first_name":"Uwe","last_name":"Gerstmann","orcid":"0000-0002-4476-223X","id":"171"},{"full_name":"Henkel, Gerald","first_name":"Gerald","last_name":"Henkel"},{"first_name":"Wolf Gero","last_name":"Schmidt","orcid":"0000-0002-2717-5076","full_name":"Schmidt, Wolf Gero","id":"468"},{"full_name":"Herres-Pawlis, Sonja","last_name":"Herres-Pawlis","first_name":"Sonja"}],"publication_identifier":{"issn":["0192-8651"]},"title":"Optical response of the Cu2S2diamond core in Cu2II(NGuaS)2Cl2","year":"2016","doi":"10.1002/jcc.24439","language":[{"iso":"eng"}],"project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"citation":{"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>.","apa":"Witte, M., Grimm-Lebsanft, B., Goos, A., Binder, S., Rübhausen, M., Bernard, M., Neuba, A., Gorelsky, S., Gerstmann, U., Henkel, G., Schmidt, W. 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