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In this study, a variety of electron polarons, namely free, bound, and bipolarons, are analyzed using first-principles calculations. We perform a full structural optimization based on density-functional theory for selected intrinsic defects with special attention to the role of symmetry-breaking distortions that lower the total energy. The cations hosting the various polarons relax to a different degree, with a larger relaxation corresponding to a larger gap between the defect level and the conduction-band edge. The projected density of states reveals that the polaron states are formerly empty Nb 4d states lowered into the band gap. Optical absorption spectra are derived within the independent-particle approximation, corrected by the GW approximation that yields a wider band gap and by including excitonic effects within the Bethe-Salpeter equation. Comparing the calculated spectra with the density of states, we find that the defect peak observed in the optical absorption stems from transitions between the defect level and a continuum of empty Nb 4d states. Signatures of polarons are further analyzed in the reflectivity and other experimentally measurable optical coefficients."}],"publication":"Crystals","ddc":["530"],"user_id":"171","volume":11,"page":"542","publisher":"MDPI","_id":"21946","funded_apc":"1","has_accepted_license":"1","status":"public","oa":"1","external_id":{"isi":["000653822700001"]},"quality_controlled":"1","project":[{"_id":"53","name":"TRR 142"},{"_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"},{"_id":"52","name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"file_date_updated":"2021-05-13T16:51:41Z","citation":{"apa":"Schmidt, F., Kozub, A. L., Gerstmann, U., Schmidt, W. G., &#38; Schindlmayr, A. (2021). Electron polarons in lithium niobate: Charge localization, lattice deformation, and optical response. <i>Crystals</i>, <i>11</i>, 542. <a href=\"https://doi.org/10.3390/cryst11050542\">https://doi.org/10.3390/cryst11050542</a>","ieee":"F. Schmidt, A. L. Kozub, U. Gerstmann, W. G. Schmidt, and A. Schindlmayr, “Electron polarons in lithium niobate: Charge localization, lattice deformation, and optical response,” <i>Crystals</i>, vol. 11, p. 542, 2021, doi: <a href=\"https://doi.org/10.3390/cryst11050542\">10.3390/cryst11050542</a>.","short":"F. Schmidt, A.L. Kozub, U. Gerstmann, W.G. Schmidt, A. Schindlmayr, Crystals 11 (2021) 542.","chicago":"Schmidt, Falko, Agnieszka L. Kozub, Uwe Gerstmann, Wolf Gero Schmidt, and Arno Schindlmayr. “Electron Polarons in Lithium Niobate: Charge Localization, Lattice Deformation, and Optical Response.” <i>Crystals</i> 11 (2021): 542. <a href=\"https://doi.org/10.3390/cryst11050542\">https://doi.org/10.3390/cryst11050542</a>.","mla":"Schmidt, Falko, et al. “Electron Polarons in Lithium Niobate: Charge Localization, Lattice Deformation, and Optical Response.” <i>Crystals</i>, vol. 11, MDPI, 2021, p. 542, doi:<a href=\"https://doi.org/10.3390/cryst11050542\">10.3390/cryst11050542</a>.","ama":"Schmidt F, Kozub AL, Gerstmann U, Schmidt WG, Schindlmayr A. Electron polarons in lithium niobate: Charge localization, lattice deformation, and optical response. <i>Crystals</i>. 2021;11:542. doi:<a href=\"https://doi.org/10.3390/cryst11050542\">10.3390/cryst11050542</a>","bibtex":"@article{Schmidt_Kozub_Gerstmann_Schmidt_Schindlmayr_2021, title={Electron polarons in lithium niobate: Charge localization, lattice deformation, and optical response}, volume={11}, DOI={<a href=\"https://doi.org/10.3390/cryst11050542\">10.3390/cryst11050542</a>}, journal={Crystals}, publisher={MDPI}, author={Schmidt, Falko and Kozub, Agnieszka L. and Gerstmann, Uwe and Schmidt, Wolf Gero and Schindlmayr, Arno}, year={2021}, pages={542} }"},"isi":"1"},{"department":[{"_id":"35"},{"_id":"2"},{"_id":"307"}],"type":"journal_article","date_created":"2021-10-08T10:01:21Z","abstract":[{"text":"Tailor-made ordered mesoporous materials bear great potential in numerous fields of application where large interfaces are required. However, the inherent surfacechemical properties of conventional materials, such as silica, carbon or organosilica, poses some limitations with respect to their application. Surface manipulation by functionalization with chemically more reactive groups is one way to improve materials for their desired purpose. Another approach is the design of high surface-area composite materials. The surface manipulation, either by functionalization or by introducing guest species, can be performed selectively. This means that when several distinct, i.e. , hierarchical, types of surfaces or pore systems exist in a material, each of them may be chosen for manipulation. Several strategies can be identified to achieve this goal. Molecules or molecule assemblies can be utilized to temporarily protect pores or surfaces (soft protection), while manipulation occurs at the accessible sites. This approach is a recurring motive in this review and can also be applied to rigid template matrices (hard protection). Furthermore, the size of functionalization agents (size protection) and their reactivity/diffusion (kinetic protection) into the pores can also be utilized to achieve selectivity. In addition, challenges in the synthesis and characterization of selectively manipulated ordered mesoporous materials are discussed.","lang":"eng"}],"publication":"Advanced Materials Interfaces","doi":"10.1002/admi.202001153","language":[{"iso":"eng"}],"article_number":"2001153","main_file_link":[{"url":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/admi.202001153","open_access":"1"}],"article_type":"review","publication_status":"published","date_updated":"2023-03-07T10:45:40Z","author":[{"id":"23547","full_name":"Tiemann, Michael","orcid":"0000-0003-1711-2722","first_name":"Michael","last_name":"Tiemann"},{"id":"11848","full_name":"Weinberger, Christian","first_name":"Christian","last_name":"Weinberger"}],"publication_identifier":{"issn":["2196-7350","2196-7350"]},"year":"2021","title":"Selective Modification of Hierarchical Pores and Surfaces in Nanoporous Materials","oa":"1","quality_controlled":"1","citation":{"ieee":"M. Tiemann and C. Weinberger, “Selective Modification of Hierarchical Pores and Surfaces in Nanoporous Materials,” <i>Advanced Materials Interfaces</i>, Art. no. 2001153, 2021, doi: <a href=\"https://doi.org/10.1002/admi.202001153\">10.1002/admi.202001153</a>.","apa":"Tiemann, M., &#38; Weinberger, C. (2021). Selective Modification of Hierarchical Pores and Surfaces in Nanoporous Materials. <i>Advanced Materials Interfaces</i>, Article 2001153. <a href=\"https://doi.org/10.1002/admi.202001153\">https://doi.org/10.1002/admi.202001153</a>","short":"M. Tiemann, C. Weinberger, Advanced Materials Interfaces (2021).","chicago":"Tiemann, Michael, and Christian Weinberger. “Selective Modification of Hierarchical Pores and Surfaces in Nanoporous Materials.” <i>Advanced Materials Interfaces</i>, 2021. <a href=\"https://doi.org/10.1002/admi.202001153\">https://doi.org/10.1002/admi.202001153</a>.","mla":"Tiemann, Michael, and Christian Weinberger. “Selective Modification of Hierarchical Pores and Surfaces in Nanoporous Materials.” <i>Advanced Materials Interfaces</i>, 2001153, 2021, doi:<a href=\"https://doi.org/10.1002/admi.202001153\">10.1002/admi.202001153</a>.","bibtex":"@article{Tiemann_Weinberger_2021, title={Selective Modification of Hierarchical Pores and Surfaces in Nanoporous Materials}, DOI={<a href=\"https://doi.org/10.1002/admi.202001153\">10.1002/admi.202001153</a>}, number={2001153}, journal={Advanced Materials Interfaces}, author={Tiemann, Michael and Weinberger, Christian}, year={2021} }","ama":"Tiemann M, Weinberger C. Selective Modification of Hierarchical Pores and Surfaces in Nanoporous Materials. <i>Advanced Materials Interfaces</i>. Published online 2021. doi:<a href=\"https://doi.org/10.1002/admi.202001153\">10.1002/admi.202001153</a>"},"user_id":"23547","_id":"25893","status":"public"},{"volume":19,"user_id":"49063","_id":"41431","page":"1-194","status":"public","oa":"1","citation":{"apa":"Fuchs, C. (2021). Engels@200: Friedrich Engels in the Age of Digital Capitalism. <i>TripleC: Communication, Capitalism &#38; Critique</i>, <i>19</i>(1), 1–194. <a href=\"https://doi.org/10.31269/triplec.v19i1.1233\">https://doi.org/10.31269/triplec.v19i1.1233</a>","ieee":"C. Fuchs, “Engels@200: Friedrich Engels in the Age of Digital Capitalism,” <i>tripleC: Communication, Capitalism &#38; Critique</i>, vol. 19, no. 1, pp. 1–194, 2021, doi: <a href=\"https://doi.org/10.31269/triplec.v19i1.1233\">https://doi.org/10.31269/triplec.v19i1.1233</a>.","short":"C. Fuchs, TripleC: Communication, Capitalism &#38; Critique 19 (2021) 1–194.","chicago":"Fuchs, Christian. “Engels@200: Friedrich Engels in the Age of Digital Capitalism.” <i>TripleC: Communication, Capitalism &#38; Critique</i> 19, no. 1 (2021): 1–194. <a href=\"https://doi.org/10.31269/triplec.v19i1.1233\">https://doi.org/10.31269/triplec.v19i1.1233</a>.","mla":"Fuchs, Christian. “Engels@200: Friedrich Engels in the Age of Digital Capitalism.” <i>TripleC: Communication, Capitalism &#38; Critique</i>, vol. 19, no. 1, 2021, pp. 1–194, doi:<a href=\"https://doi.org/10.31269/triplec.v19i1.1233\">https://doi.org/10.31269/triplec.v19i1.1233</a>.","ama":"Fuchs C. 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(2021). <i>Tagungsbericht: Immaterielles Kulturerbe und regionale Identität. Gesellschaftliche Repräsentation und Partizipation im Schützenwesen</i>.","chicago":"Leineweber, Jonas. <i>Tagungsbericht: Immaterielles Kulturerbe und regionale Identität. Gesellschaftliche Repräsentation und Partizipation im Schützenwesen</i>. H/SOZ/KULT, 2021.","short":"J. Leineweber, Tagungsbericht: Immaterielles Kulturerbe und regionale Identität. Gesellschaftliche Repräsentation und Partizipation im Schützenwesen, 2021."},"user_id":"45701","main_file_link":[{"url":"https://www.hsozkult.de/conferencereport/id/fdkn-127633","open_access":"1"}],"_id":"33209","language":[{"iso":"ger"}],"series_title":"H/SOZ/KULT","date_updated":"2023-03-15T09:17:07Z","publication_status":"published","year":"2021","status":"public","title":"Tagungsbericht: Immaterielles Kulturerbe und regionale Identität. Gesellschaftliche Repräsentation und Partizipation im Schützenwesen","author":[{"id":"45701","full_name":"Leineweber, Jonas","last_name":"Leineweber","first_name":"Jonas","orcid":"0000-0001-8616-3051"}]},{"publisher":"EDP Sciences, Società Italiana di Fisica and Springer","_id":"22960","user_id":"16199","ddc":["530"],"volume":94,"status":"public","has_accepted_license":"1","external_id":{"isi":["000687163200002"]},"oa":"1","file_date_updated":"2021-09-02T08:05:06Z","citation":{"bibtex":"@article{Bidaraguppe Ramesh_Schmidt_Schindlmayr_2021, title={Lattice parameters and electronic band gap of orthorhombic potassium sodium niobate K0.5Na0.5NbO3 from density-functional theory}, volume={94}, DOI={<a href=\"https://doi.org/10.1140/epjb/s10051-021-00179-8\">10.1140/epjb/s10051-021-00179-8</a>}, number={8169}, journal={The European Physical Journal B}, publisher={EDP Sciences, Società Italiana di Fisica and Springer}, author={Bidaraguppe Ramesh, Nithin and Schmidt, Falko and Schindlmayr, Arno}, year={2021} }","ama":"Bidaraguppe Ramesh N, Schmidt F, Schindlmayr A. Lattice parameters and electronic band gap of orthorhombic potassium sodium niobate K0.5Na0.5NbO3 from density-functional theory. <i>The European Physical Journal B</i>. 2021;94(8). doi:<a href=\"https://doi.org/10.1140/epjb/s10051-021-00179-8\">10.1140/epjb/s10051-021-00179-8</a>","mla":"Bidaraguppe Ramesh, Nithin, et al. “Lattice Parameters and Electronic Band Gap of Orthorhombic Potassium Sodium Niobate K0.5Na0.5NbO3 from Density-Functional Theory.” <i>The European Physical Journal B</i>, vol. 94, no. 8, 169, EDP Sciences, Società Italiana di Fisica and Springer, 2021, doi:<a href=\"https://doi.org/10.1140/epjb/s10051-021-00179-8\">10.1140/epjb/s10051-021-00179-8</a>.","short":"N. Bidaraguppe Ramesh, F. Schmidt, A. Schindlmayr, The European Physical Journal B 94 (2021).","chicago":"Bidaraguppe Ramesh, Nithin, Falko Schmidt, and Arno Schindlmayr. “Lattice Parameters and Electronic Band Gap of Orthorhombic Potassium Sodium Niobate K0.5Na0.5NbO3 from Density-Functional Theory.” <i>The European Physical Journal B</i> 94, no. 8 (2021). <a href=\"https://doi.org/10.1140/epjb/s10051-021-00179-8\">https://doi.org/10.1140/epjb/s10051-021-00179-8</a>.","ieee":"N. Bidaraguppe Ramesh, F. Schmidt, and A. Schindlmayr, “Lattice parameters and electronic band gap of orthorhombic potassium sodium niobate K0.5Na0.5NbO3 from density-functional theory,” <i>The European Physical Journal B</i>, vol. 94, no. 8, Art. no. 169, 2021, doi: <a href=\"https://doi.org/10.1140/epjb/s10051-021-00179-8\">10.1140/epjb/s10051-021-00179-8</a>.","apa":"Bidaraguppe Ramesh, N., Schmidt, F., &#38; Schindlmayr, A. (2021). Lattice parameters and electronic band gap of orthorhombic potassium sodium niobate K0.5Na0.5NbO3 from density-functional theory. <i>The European Physical Journal B</i>, <i>94</i>(8), Article 169. <a href=\"https://doi.org/10.1140/epjb/s10051-021-00179-8\">https://doi.org/10.1140/epjb/s10051-021-00179-8</a>"},"isi":"1","quality_controlled":"1","project":[{"name":"TRR 142","_id":"53"},{"_id":"55","name":"TRR 142 - Project Area B"},{"_id":"69","name":"TRR 142 - Subproject B4"}],"article_number":"169","language":[{"iso":"eng"}],"doi":"10.1140/epjb/s10051-021-00179-8","year":"2021","title":"Lattice parameters and electronic band gap of orthorhombic potassium sodium niobate K0.5Na0.5NbO3 from density-functional theory","publication_identifier":{"eissn":["1434-6036"],"issn":["1434-6028"]},"author":[{"id":"70064","first_name":"Nithin","last_name":"Bidaraguppe Ramesh","full_name":"Bidaraguppe Ramesh, Nithin"},{"id":"35251","orcid":"0000-0002-5071-5528","last_name":"Schmidt","first_name":"Falko","full_name":"Schmidt, Falko"},{"id":"458","full_name":"Schindlmayr, Arno","orcid":"0000-0002-4855-071X","first_name":"Arno","last_name":"Schindlmayr"}],"publication_status":"published","date_updated":"2023-04-20T14:56:25Z","article_type":"original","intvolume":"        94","file":[{"date_created":"2021-09-02T08:05:06Z","description":"Creative Commons Attribution 4.0 International Public License (CC BY 4.0)","creator":"schindlm","file_id":"23679","content_type":"application/pdf","title":"Lattice parameters and electronic bandgap of orthorhombic potassium sodium niobate K0.5Na0.5NbO3 from density-functional theory","file_name":"BidaraguppeRamesh2021_Article_LatticeParametersAndElectronic.pdf","access_level":"open_access","file_size":850389,"relation":"main_file","date_updated":"2021-09-02T08:05:06Z"}],"date_created":"2021-08-08T21:21:42Z","type":"journal_article","department":[{"_id":"296"},{"_id":"230"},{"_id":"429"},{"_id":"15"},{"_id":"170"},{"_id":"35"}],"publication":"The European Physical Journal B","issue":"8","abstract":[{"lang":"eng","text":"We perform a theoretical analysis of the structural and electronic properties of sodium potassium niobate K1-xNaxNbO3 in the orthorhombic room-temperature phase, based on density-functional theory in combination with the supercell approach. Our results for x=0 and x=0.5 are in very good agreement with experimental measurements and establish that the lattice parameters decrease linearly with increasing Na contents, disproving earlier theoretical studies based on the virtual-crystal approximation that claimed a highly nonlinear behavior with a significant structural distortion and volume reduction in K0.5Na0.5NbO3 compared to both end members of the solid solution. Furthermore, we find that the electronic band gap varies very little between x=0 and x=0.5, reflecting the small changes in the lattice parameters."}]},{"quality_controlled":"1","citation":{"mla":"Friedrich, Christoph, et al. “Erratum: Efficient Implementation of the GW Approximation within the All-Electron FLAPW Method [Phys. Rev. B 81, 125102 (2010)].” <i>Physical Review B</i>, vol. 104, no. 3, 039901, American Physical Society, 2021, doi:<a href=\"https://doi.org/10.1103/PhysRevB.104.039901\">10.1103/PhysRevB.104.039901</a>.","ama":"Friedrich C, Blügel S, Schindlmayr A. Erratum: Efficient implementation of the GW approximation within the all-electron FLAPW method [Phys. Rev. B 81, 125102 (2010)]. <i>Physical Review B</i>. 2021;104(3). doi:<a href=\"https://doi.org/10.1103/PhysRevB.104.039901\">10.1103/PhysRevB.104.039901</a>","bibtex":"@article{Friedrich_Blügel_Schindlmayr_2021, title={Erratum: Efficient implementation of the GW approximation within the all-electron FLAPW method [Phys. Rev. B 81, 125102 (2010)]}, volume={104}, DOI={<a href=\"https://doi.org/10.1103/PhysRevB.104.039901\">10.1103/PhysRevB.104.039901</a>}, number={3039901}, journal={Physical Review B}, publisher={American Physical Society}, author={Friedrich, Christoph and Blügel, Stefan and Schindlmayr, Arno}, year={2021} }","apa":"Friedrich, C., Blügel, S., &#38; Schindlmayr, A. (2021). Erratum: Efficient implementation of the GW approximation within the all-electron FLAPW method [Phys. Rev. B 81, 125102 (2010)]. <i>Physical Review B</i>, <i>104</i>(3), Article 039901. <a href=\"https://doi.org/10.1103/PhysRevB.104.039901\">https://doi.org/10.1103/PhysRevB.104.039901</a>","ieee":"C. Friedrich, S. Blügel, and A. Schindlmayr, “Erratum: Efficient implementation of the GW approximation within the all-electron FLAPW method [Phys. Rev. B 81, 125102 (2010)],” <i>Physical Review B</i>, vol. 104, no. 3, Art. no. 039901, 2021, doi: <a href=\"https://doi.org/10.1103/PhysRevB.104.039901\">10.1103/PhysRevB.104.039901</a>.","chicago":"Friedrich, Christoph, Stefan Blügel, and Arno Schindlmayr. “Erratum: Efficient Implementation of the GW Approximation within the All-Electron FLAPW Method [Phys. Rev. B 81, 125102 (2010)].” <i>Physical Review B</i> 104, no. 3 (2021). <a href=\"https://doi.org/10.1103/PhysRevB.104.039901\">https://doi.org/10.1103/PhysRevB.104.039901</a>.","short":"C. Friedrich, S. Blügel, A. Schindlmayr, Physical Review B 104 (2021)."},"isi":"1","file_date_updated":"2021-07-15T20:16:55Z","oa":"1","external_id":{"isi":["000671587300006"]},"has_accepted_license":"1","status":"public","volume":104,"ddc":["530"],"user_id":"16199","publisher":"American Physical Society","_id":"22761","related_material":{"record":[{"status":"public","id":"18558","relation":"other"}]},"issue":"3","publication":"Physical Review B","department":[{"_id":"296"},{"_id":"15"},{"_id":"170"}],"type":"journal_article","date_created":"2021-07-15T19:59:00Z","file":[{"description":"© 2021 American Physical Society","creator":"schindlm","content_type":"application/pdf","file_id":"22763","title":"Erratum: Efficient implementation of the GW approximation within the all-electron FLAPW method [Phys. Rev. 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B 81, 125102 (2010)]","year":"2021","doi":"10.1103/PhysRevB.104.039901","language":[{"iso":"eng"}],"article_number":"039901"},{"keyword":["tet_topic_qd"],"type":"journal_article","department":[{"_id":"61"},{"_id":"230"},{"_id":"15"},{"_id":"170"},{"_id":"297"},{"_id":"429"},{"_id":"623"},{"_id":"35"}],"file":[{"creator":"fossie","date_created":"2021-09-07T06:32:25Z","relation":"main_file","date_updated":"2021-09-07T07:43:47Z","file_name":"2021-08 Bauch PhysRevB.104.085308.pdf","file_size":887439,"access_level":"open_access","file_id":"23818","content_type":"application/pdf"}],"date_created":"2021-09-06T18:02:44Z","abstract":[{"text":"Employing the ultrafast control of electronic states of a semiconductor quantum dot in a cavity, we introduce an approach to achieve on-demand emission of single photons with almost perfect indistinguishability and photon pairs with near ideal entanglement. Our scheme is based on optical excitation off resonant to a cavity mode followed by ultrafast control of the electronic states using the time-dependent quantum-confined Stark effect, which then allows for cavity-resonant emission. Our theoretical analysis considers cavity-loss mechanisms, the Stark effect, and phonon-induced dephasing, allowing realistic predictions for finite temperatures.","lang":"eng"}],"publication":"Physical Review B","doi":"10.1103/physrevb.104.085308","language":[{"iso":"eng"}],"date_updated":"2023-04-20T15:33:52Z","publication_status":"published","intvolume":"       104","title":"Ultrafast electric control of cavity mediated single-photon and photon-pair generation with semiconductor quantum dots","year":"2021","publication_identifier":{"issn":["2469-9950","2469-9969"]},"author":[{"full_name":"Bauch, David","last_name":"Bauch","first_name":"David"},{"id":"10904","full_name":"Heinze, Dirk Florian","last_name":"Heinze","first_name":"Dirk Florian"},{"full_name":"Förstner, Jens","last_name":"Förstner","orcid":"0000-0001-7059-9862","first_name":"Jens","id":"158"},{"id":"85353","last_name":"Jöns","first_name":"Klaus","full_name":"Jöns, Klaus"},{"id":"27271","first_name":"Stefan","last_name":"Schumacher","orcid":"0000-0003-4042-4951","full_name":"Schumacher, Stefan"}],"oa":"1","project":[{"_id":"53","name":"TRR 142"},{"_id":"54","name":"TRR 142 - Project Area A"},{"name":"TRR 142 - Subproject A3","_id":"60"},{"_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"}],"file_date_updated":"2021-09-07T07:43:47Z","citation":{"apa":"Bauch, D., Heinze, D. F., Förstner, J., Jöns, K., &#38; Schumacher, S. (2021). Ultrafast electric control of cavity mediated single-photon and photon-pair generation with semiconductor quantum dots. <i>Physical Review B</i>, <i>104</i>, 085308. <a href=\"https://doi.org/10.1103/physrevb.104.085308\">https://doi.org/10.1103/physrevb.104.085308</a>","ieee":"D. Bauch, D. F. Heinze, J. Förstner, K. Jöns, and S. Schumacher, “Ultrafast electric control of cavity mediated single-photon and photon-pair generation with semiconductor quantum dots,” <i>Physical Review B</i>, vol. 104, p. 085308, 2021, doi: <a href=\"https://doi.org/10.1103/physrevb.104.085308\">10.1103/physrevb.104.085308</a>.","short":"D. Bauch, D.F. Heinze, J. Förstner, K. Jöns, S. Schumacher, Physical Review B 104 (2021) 085308.","chicago":"Bauch, David, Dirk Florian Heinze, Jens Förstner, Klaus Jöns, and Stefan Schumacher. “Ultrafast Electric Control of Cavity Mediated Single-Photon and Photon-Pair Generation with Semiconductor Quantum Dots.” <i>Physical Review B</i> 104 (2021): 085308. <a href=\"https://doi.org/10.1103/physrevb.104.085308\">https://doi.org/10.1103/physrevb.104.085308</a>.","mla":"Bauch, David, et al. “Ultrafast Electric Control of Cavity Mediated Single-Photon and Photon-Pair Generation with Semiconductor Quantum Dots.” <i>Physical Review B</i>, vol. 104, 2021, p. 085308, doi:<a href=\"https://doi.org/10.1103/physrevb.104.085308\">10.1103/physrevb.104.085308</a>.","ama":"Bauch D, Heinze DF, Förstner J, Jöns K, Schumacher S. Ultrafast electric control of cavity mediated single-photon and photon-pair generation with semiconductor quantum dots. <i>Physical Review B</i>. 2021;104:085308. doi:<a href=\"https://doi.org/10.1103/physrevb.104.085308\">10.1103/physrevb.104.085308</a>","bibtex":"@article{Bauch_Heinze_Förstner_Jöns_Schumacher_2021, title={Ultrafast electric control of cavity mediated single-photon and photon-pair generation with semiconductor quantum dots}, volume={104}, DOI={<a href=\"https://doi.org/10.1103/physrevb.104.085308\">10.1103/physrevb.104.085308</a>}, journal={Physical Review B}, author={Bauch, David and Heinze, Dirk Florian and Förstner, Jens and Jöns, Klaus and Schumacher, Stefan}, year={2021}, pages={085308} }"},"ddc":["530"],"user_id":"16199","volume":104,"page":"085308","_id":"23816","has_accepted_license":"1","status":"public"},{"quality_controlled":"1","project":[{"_id":"53","name":"TRR 142"},{"name":"TRR 142 - Project Area B","_id":"55"},{"_id":"69","name":"TRR 142 - Subproject B4"},{"_id":"52","name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"file_date_updated":"2021-11-18T20:49:19Z","citation":{"mla":"Kozub, Agnieszka L., et al. “Polaronic Enhancement of Second-Harmonic Generation in Lithium Niobate.” <i>Physical Review B</i>, vol. 104, American Physical Society, 2021, p. 174110, doi:<a href=\"https://doi.org/10.1103/PhysRevB.104.174110\">10.1103/PhysRevB.104.174110</a>.","bibtex":"@article{Kozub_Schindlmayr_Gerstmann_Schmidt_2021, title={Polaronic enhancement of second-harmonic generation in lithium niobate}, volume={104}, DOI={<a href=\"https://doi.org/10.1103/PhysRevB.104.174110\">10.1103/PhysRevB.104.174110</a>}, journal={Physical Review B}, publisher={American Physical Society}, author={Kozub, Agnieszka L. and Schindlmayr, Arno and Gerstmann, Uwe and Schmidt, Wolf Gero}, year={2021}, pages={174110} }","ama":"Kozub AL, Schindlmayr A, Gerstmann U, Schmidt WG. Polaronic enhancement of second-harmonic generation in lithium niobate. <i>Physical Review B</i>. 2021;104:174110. doi:<a href=\"https://doi.org/10.1103/PhysRevB.104.174110\">10.1103/PhysRevB.104.174110</a>","ieee":"A. L. Kozub, A. Schindlmayr, U. Gerstmann, and W. G. Schmidt, “Polaronic enhancement of second-harmonic generation in lithium niobate,” <i>Physical Review B</i>, vol. 104, p. 174110, 2021, doi: <a href=\"https://doi.org/10.1103/PhysRevB.104.174110\">10.1103/PhysRevB.104.174110</a>.","apa":"Kozub, A. L., Schindlmayr, A., Gerstmann, U., &#38; Schmidt, W. G. (2021). Polaronic enhancement of second-harmonic generation in lithium niobate. <i>Physical Review B</i>, <i>104</i>, 174110. <a href=\"https://doi.org/10.1103/PhysRevB.104.174110\">https://doi.org/10.1103/PhysRevB.104.174110</a>","chicago":"Kozub, Agnieszka L., Arno Schindlmayr, Uwe Gerstmann, and Wolf Gero Schmidt. “Polaronic Enhancement of Second-Harmonic Generation in Lithium Niobate.” <i>Physical Review B</i> 104 (2021): 174110. <a href=\"https://doi.org/10.1103/PhysRevB.104.174110\">https://doi.org/10.1103/PhysRevB.104.174110</a>.","short":"A.L. Kozub, A. Schindlmayr, U. Gerstmann, W.G. Schmidt, Physical Review B 104 (2021) 174110."},"isi":"1","oa":"1","external_id":{"arxiv":["2106.01145"],"isi":["000720931400007"]},"has_accepted_license":"1","status":"public","ddc":["530"],"user_id":"171","volume":104,"page":"174110","_id":"23418","publisher":"American Physical Society","abstract":[{"lang":"eng","text":"Density-functional theory within a Berry-phase formulation of the dynamical polarization is used to determine the second-order susceptibility χ(2) of lithium niobate (LiNbO3). Defect trapped polarons and bipolarons are found to strongly enhance the nonlinear susceptibility of the material, in particular if localized at NbV–VLi defect pairs. This is essentially a consequence of the polaronic excitation resulting in relaxation-induced gap states. The occupation of these levels leads to strongly enhanced χ(2) coefficients and allows for the spatial and transient modification of the second-harmonic generation of macroscopic samples."}],"publication":"Physical Review B","type":"journal_article","department":[{"_id":"296"},{"_id":"230"},{"_id":"429"},{"_id":"295"},{"_id":"15"},{"_id":"170"},{"_id":"790"}],"file":[{"file_name":"PhysRevB.104.174110.pdf","file_size":804012,"access_level":"open_access","relation":"main_file","date_updated":"2021-11-18T20:49:19Z","file_id":"27577","content_type":"application/pdf","title":"Polaronic enhancement of second-harmonic generation in lithium niobate","creator":"schindlm","date_created":"2021-11-18T20:49:19Z","description":"© 2021 American Physical Society"}],"date_created":"2021-08-16T19:09:46Z","date_updated":"2023-04-21T11:15:30Z","publication_status":"published","intvolume":"       104","article_type":"original","year":"2021","title":"Polaronic enhancement of second-harmonic generation in lithium niobate","author":[{"id":"77566","full_name":"Kozub, Agnieszka L.","last_name":"Kozub","orcid":"https://orcid.org/0000-0001-6584-0201","first_name":"Agnieszka L."},{"last_name":"Schindlmayr","orcid":"0000-0002-4855-071X","first_name":"Arno","full_name":"Schindlmayr, Arno","id":"458"},{"id":"171","full_name":"Gerstmann, Uwe","last_name":"Gerstmann","orcid":"0000-0002-4476-223X","first_name":"Uwe"},{"first_name":"Wolf Gero","last_name":"Schmidt","orcid":"0000-0002-2717-5076","full_name":"Schmidt, Wolf Gero","id":"468"}],"publication_identifier":{"issn":["2469-9950"],"eissn":["2469-9969"]},"doi":"10.1103/PhysRevB.104.174110","language":[{"iso":"eng"}]},{"type":"journal_article","department":[{"_id":"321"},{"_id":"149"},{"_id":"630"}],"oa":"1","date_created":"2021-09-16T08:34:41Z","quality_controlled":"1","project":[{"name":"TRR 285: TRR 285","grant_number":"418701707","_id":"130"},{"name":"TRR 285 - B: TRR 285 - Project Area B","_id":"132"},{"name":"TRR 285 – B01: TRR 285 - Subproject B01","_id":"140"}],"publication":"ESAFORM 2021","citation":{"mla":"Martin, Sven, and Thomas Tröster. “Joint point loadings in car bodies – the influence of manufacturing tolerances and scatter in material properties.” <i>ESAFORM 2021</i>, 2021, doi:<a href=\"https://doi.org/10.25518/esaform21.3801\">10.25518/esaform21.3801</a>.","ama":"Martin S, Tröster T. Joint point loadings in car bodies – the influence of manufacturing tolerances and scatter in material properties. <i>ESAFORM 2021</i>. Published online 2021. doi:<a href=\"https://doi.org/10.25518/esaform21.3801\">10.25518/esaform21.3801</a>","bibtex":"@article{Martin_Tröster_2021, title={Joint point loadings in car bodies – the influence of manufacturing tolerances and scatter in material properties}, DOI={<a href=\"https://doi.org/10.25518/esaform21.3801\">10.25518/esaform21.3801</a>}, journal={ESAFORM 2021}, author={Martin, Sven and Tröster, Thomas}, year={2021} }","apa":"Martin, S., &#38; Tröster, T. (2021). Joint point loadings in car bodies – the influence of manufacturing tolerances and scatter in material properties. <i>ESAFORM 2021</i>. <a href=\"https://doi.org/10.25518/esaform21.3801\">https://doi.org/10.25518/esaform21.3801</a>","ieee":"S. Martin and T. Tröster, “Joint point loadings in car bodies – the influence of manufacturing tolerances and scatter in material properties,” <i>ESAFORM 2021</i>, 2021, doi: <a href=\"https://doi.org/10.25518/esaform21.3801\">10.25518/esaform21.3801</a>.","chicago":"Martin, Sven, and Thomas Tröster. “Joint point loadings in car bodies – the influence of manufacturing tolerances and scatter in material properties.” <i>ESAFORM 2021</i>, 2021. <a href=\"https://doi.org/10.25518/esaform21.3801\">https://doi.org/10.25518/esaform21.3801</a>.","short":"S. Martin, T. Tröster, ESAFORM 2021 (2021)."},"user_id":"38177","doi":"10.25518/esaform21.3801","main_file_link":[{"url":"https://popups.uliege.be/esaform21/index.php?id=3801","open_access":"1"}],"language":[{"iso":"fre"}],"_id":"24548","publication_status":"published","date_updated":"2023-04-28T11:58:00Z","title":"Joint point loadings in car bodies – the influence of manufacturing tolerances and scatter in material properties","year":"2021","status":"public","author":[{"first_name":"Sven","last_name":"Martin","full_name":"Martin, Sven","id":"38177"},{"first_name":"Thomas","last_name":"Tröster","full_name":"Tröster, Thomas"}]},{"title":"Forming of metastable austenitic stainless steel tubes with axially graded martensite content by flow-forming","year":"2021","publication_identifier":{"eisbn":["978-2-87019-303-7"],"isbn":["978-2-87019-302-0"]},"author":[{"id":"36287","full_name":"Arian, Bahman","last_name":"Arian","first_name":"Bahman"},{"last_name":"Homberg","first_name":"Werner","full_name":"Homberg, Werner","id":"233"},{"last_name":"Riepold","first_name":"Markus","full_name":"Riepold, Markus"},{"id":"552","full_name":"Trächtler, Ansgar","last_name":"Trächtler","first_name":"Ansgar"},{"full_name":"Rozo Vasquez, Julian","first_name":"Julian","last_name":"Rozo Vasquez"},{"last_name":"Walther","first_name":"Frank","full_name":"Walther, Frank"}],"publication_status":"published","date_updated":"2023-05-02T08:27:48Z","main_file_link":[{"url":"https://popups.uliege.be/esaform21/index.php?id=2759","open_access":"1"}],"language":[{"iso":"eng"}],"abstract":[{"text":"One of the main objectives of production engineering is to reproducibly manufacture (complex) defect-free parts. To achieve this, it is necessary to employ an appropriate process or tool design. While this will generally prove successful, it cannot, however, offset stochastic defects with local variations in material properties. Closed-loop process control represents a promising approach for a solution in this context. The state of the art involves using this approach to control geometric parameters such as a length. So far, no research or applications have been conducted with closed-loop control for microstructure and product properties. In the project on which this paper is based, the local martensite content of parts is to be adjusted in a highly precise and reproducible manner. The forming process employed is a special, property-controlled flow-forming process. A model-based controller is thus to generate corresponding correction values for the tool-path geometry and tool-path velocity on the basis of online martensite content measurements. For the controller model, it is planned to use a special process or microstructure (correlation) model. The planned paper not only describes the experimental setup but also presents results of initial experimental investigations for subsequent use in the closed-loop control of α’-martensite content during flow-forming.","lang":"eng"}],"date_created":"2021-08-23T13:00:35Z","keyword":["Flow-forming","Spinning","Process Strategy","Martensite Content","Property Control","Micromagnetic Measurement","Metastable Austenitic Stainless Steel"],"type":"conference","department":[{"_id":"156"},{"_id":"153"},{"_id":"241"}],"status":"public","conference":{"end_date":"2021-04-16","location":"Liège, Belgium","start_date":"2021-04-14","name":"24th International Conference on Material Forming - ESAFORM 2021"},"_id":"23465","publisher":"ULiège Library","user_id":"36287","citation":{"chicago":"Arian, Bahman, Werner Homberg, Markus Riepold, Ansgar Trächtler, Julian Rozo Vasquez, and Frank Walther. “Forming of Metastable Austenitic Stainless Steel Tubes with Axially Graded Martensite Content by Flow-Forming.” Liège: ULiège Library, 2021.","short":"B. Arian, W. Homberg, M. Riepold, A. Trächtler, J. Rozo Vasquez, F. Walther, in: ULiège Library, Liège, 2021.","apa":"Arian, B., Homberg, W., Riepold, M., Trächtler, A., Rozo Vasquez, J., &#38; Walther, F. (2021). <i>Forming of metastable austenitic stainless steel tubes with axially graded martensite content by flow-forming</i>. 24th International Conference on Material Forming - ESAFORM 2021, Liège, Belgium.","ieee":"B. Arian, W. Homberg, M. Riepold, A. Trächtler, J. Rozo Vasquez, and F. Walther, “Forming of metastable austenitic stainless steel tubes with axially graded martensite content by flow-forming,” presented at the 24th International Conference on Material Forming - ESAFORM 2021, Liège, Belgium, 2021.","ama":"Arian B, Homberg W, Riepold M, Trächtler A, Rozo Vasquez J, Walther F. Forming of metastable austenitic stainless steel tubes with axially graded martensite content by flow-forming. In: ULiège Library; 2021.","bibtex":"@inproceedings{Arian_Homberg_Riepold_Trächtler_Rozo Vasquez_Walther_2021, place={Liège}, title={Forming of metastable austenitic stainless steel tubes with axially graded martensite content by flow-forming}, publisher={ULiège Library}, author={Arian, Bahman and Homberg, Werner and Riepold, Markus and Trächtler, Ansgar and Rozo Vasquez, Julian and Walther, Frank}, year={2021} }","mla":"Arian, Bahman, et al. <i>Forming of Metastable Austenitic Stainless Steel Tubes with Axially Graded Martensite Content by Flow-Forming</i>. ULiège Library, 2021."},"quality_controlled":"1","place":"Liège","oa":"1"},{"oa":"1","citation":{"mla":"Neumann, Phillip, et al. “Aufgaben und Zuständigkeiten von allgemeinen und sonderpädagogischen Lehrkräften sowie Fachkräften der ­Schulsozialarbeit­ in­ inklusiven­ Schulen­ der­ Sekundarstufe I. Erste Ergebnisse aus dem BiFoKi-Projekt.” <i>Zeitschrift für Heilpädagogik</i>, vol. 73, no. 4, 2021, pp. 164–77.","bibtex":"@article{Neumann_Grüter_Eckel_Lütje-Klose_Wild_Gorges_2021, title={Aufgaben und Zuständigkeiten von allgemeinen und sonderpädagogischen Lehrkräften sowie Fachkräften der ­Schulsozialarbeit­ in­ inklusiven­ Schulen­ der­ Sekundarstufe I. Erste Ergebnisse aus dem BiFoKi-Projekt}, volume={73}, number={4}, journal={Zeitschrift für Heilpädagogik}, author={Neumann, Phillip and Grüter, Sandra and Eckel, Lisa and Lütje-Klose, Birgit and Wild, Elke and Gorges, Julia}, year={2021}, pages={164–177} }","ama":"Neumann P, Grüter S, Eckel L, Lütje-Klose B, Wild E, Gorges J. Aufgaben und Zuständigkeiten von allgemeinen und sonderpädagogischen Lehrkräften sowie Fachkräften der ­Schulsozialarbeit­ in­ inklusiven­ Schulen­ der­ Sekundarstufe I. Erste Ergebnisse aus dem BiFoKi-Projekt. <i>Zeitschrift für Heilpädagogik</i>. 2021;73(4):164-177.","ieee":"P. Neumann, S. Grüter, L. Eckel, B. Lütje-Klose, E. Wild, and J. Gorges, “Aufgaben und Zuständigkeiten von allgemeinen und sonderpädagogischen Lehrkräften sowie Fachkräften der ­Schulsozialarbeit­ in­ inklusiven­ Schulen­ der­ Sekundarstufe I. Erste Ergebnisse aus dem BiFoKi-Projekt,” <i>Zeitschrift für Heilpädagogik</i>, vol. 73, no. 4, pp. 164–177, 2021.","apa":"Neumann, P., Grüter, S., Eckel, L., Lütje-Klose, B., Wild, E., &#38; Gorges, J. (2021). Aufgaben und Zuständigkeiten von allgemeinen und sonderpädagogischen Lehrkräften sowie Fachkräften der ­Schulsozialarbeit­ in­ inklusiven­ Schulen­ der­ Sekundarstufe I. Erste Ergebnisse aus dem BiFoKi-Projekt. <i>Zeitschrift für Heilpädagogik</i>, <i>73</i>(4), 164–177.","chicago":"Neumann, Phillip, Sandra Grüter, Lisa Eckel, Birgit Lütje-Klose, Elke Wild, and Julia Gorges. “Aufgaben und Zuständigkeiten von allgemeinen und sonderpädagogischen Lehrkräften sowie Fachkräften der ­Schulsozialarbeit­ in­ inklusiven­ Schulen­ der­ Sekundarstufe I. Erste Ergebnisse aus dem BiFoKi-Projekt.” <i>Zeitschrift für Heilpädagogik</i> 73, no. 4 (2021): 164–77.","short":"P. Neumann, S. Grüter, L. Eckel, B. Lütje-Klose, E. Wild, J. Gorges, Zeitschrift für Heilpädagogik 73 (2021) 164–177."},"file_date_updated":"2023-05-05T19:52:14Z","_id":"34484","page":"164-177","volume":73,"ddc":["370"],"user_id":"95559","status":"public","has_accepted_license":"1","date_created":"2022-12-17T12:11:42Z","file":[{"file_name":"zfh_04.2021_neumann.pdf","access_level":"open_access","file_size":369937,"relation":"main_file","date_updated":"2023-05-05T19:52:14Z","file_id":"34609","content_type":"application/pdf","creator":"bpaulina","date_created":"2022-12-20T13:10:15Z"}],"department":[{"_id":"479"}],"keyword":["Inklusion","Sonderpädagogik","Sekundarstufe","Gesamtschulen","Kooperation","Schulsozialarbeit","BiFoKi"],"type":"journal_article","publication":"Zeitschrift für Heilpädagogik","issue":"4","abstract":[{"text":"Multiprofessionelle Teams sind notwendiger Bestandteil inklusiver Schulen. Die Verteilung von Aufgaben, welche über die Zusammenarbeit von allgemeinen und sonderpädagogi­schen Lehrkräften im Unterricht hinausgehen, wurde bislang jedoch selten systematisch untersucht. Im Beitrag werden deskriptive Befunde aus dem Projekt BiFoKi (Bielefelder Fortbildungskonzept zur Kooperation in inklusiven Schulen) zu den Zuständigkeiten von allgemeinen (N = 170) und sonderpädagogischen Lehrkräften (N = 24) sowie Schulsozial­arbeiterinnen (N = 11) an inklusiven Sekundar-­ und Gesamtschulen präsentiert. Sie deuten auf eine Persistenz traditioneller Rollenmuster und Aufgabenverteilungen hin. Bei den befragten sonderpädagogischen Lehrkräften können zwei unterschiedliche Rollenmuster herausgearbeitet werden. Die Schulsozialarbeiterinnen weisen ein enges Arbeitsfeld mit einem Fokus auf Eltern­-Schule-­Kooperation auf.\r\n","lang":"ger"},{"lang":"eng","text":"Multiprofessional teams are a vital part of inclusive schools. However, the distribution of tasks that goes beyond the cooperation of teachers and special edu­cators in the classroom has rarely been investigated systematically. This article presents preliminary find­ings from the BiFoKi project (Bielefeld Training on Co­ operation in inclusive Schools) on the responsibilities of general teachers (N = 170), special educators (N = 24) and school social workers (N = 11) in inclusive secondary and comprehensive schools. They indicate the persistence of traditional role patterns and task distributions between these three groups. Two different roles of special educators can be identified. The school social workers have a particularly narrow field of work with a focus on parent ­school cooperation."}],"extern":"1","language":[{"iso":"ger"}],"author":[{"id":"95559","full_name":"Neumann, Phillip","last_name":"Neumann","first_name":"Phillip"},{"full_name":"Grüter, Sandra","last_name":"Grüter","first_name":"Sandra"},{"full_name":"Eckel, Lisa","first_name":"Lisa","last_name":"Eckel"},{"first_name":"Birgit","last_name":"Lütje-Klose","full_name":"Lütje-Klose, Birgit"},{"last_name":"Wild","first_name":"Elke","full_name":"Wild, Elke"},{"full_name":"Gorges, Julia","last_name":"Gorges","first_name":"Julia"}],"publication_identifier":{"issn":["0513-9066"]},"year":"2021","title":"Aufgaben und Zuständigkeiten von allgemeinen und sonderpädagogischen Lehrkräften sowie Fachkräften der ­Schulsozialarbeit­ in­ inklusiven­ Schulen­ der­ Sekundarstufe I. Erste Ergebnisse aus dem BiFoKi-Projekt","intvolume":"        73","article_type":"original","date_updated":"2023-05-05T19:52:14Z","publication_status":"published"}]