[{"citation":{"chicago":"Murzakhanov, F. F., B. V. Yavkin, G. V. Mamin, S. B. Orlinskii, H. J. von Bardeleben, Timur Biktagirov, Uwe Gerstmann, and V. A. Soltamov. “Hyperfine and Nuclear Quadrupole Splitting of the NV− Ground State in 4H-SiC.” <i>Physical Review B</i> 103 (2021): 245203. <a href=\"https://doi.org/10.1103/physrevb.103.245203\">https://doi.org/10.1103/physrevb.103.245203</a>.","short":"F.F. Murzakhanov, B.V. Yavkin, G.V. Mamin, S.B. Orlinskii, H.J. von Bardeleben, T. Biktagirov, U. Gerstmann, V.A. Soltamov, Physical Review B 103 (2021) 245203.","ieee":"F. F. Murzakhanov <i>et al.</i>, “Hyperfine and nuclear quadrupole splitting of the NV− ground state in 4H-SiC,” <i>Physical Review B</i>, vol. 103, p. 245203, 2021, doi: <a href=\"https://doi.org/10.1103/physrevb.103.245203\">10.1103/physrevb.103.245203</a>.","apa":"Murzakhanov, F. F., Yavkin, B. V., Mamin, G. V., Orlinskii, S. B., von Bardeleben, H. J., Biktagirov, T., Gerstmann, U., &#38; Soltamov, V. A. (2021). Hyperfine and nuclear quadrupole splitting of the NV− ground state in 4H-SiC. <i>Physical Review B</i>, <i>103</i>, 245203. <a href=\"https://doi.org/10.1103/physrevb.103.245203\">https://doi.org/10.1103/physrevb.103.245203</a>","bibtex":"@article{Murzakhanov_Yavkin_Mamin_Orlinskii_von Bardeleben_Biktagirov_Gerstmann_Soltamov_2021, title={Hyperfine and nuclear quadrupole splitting of the NV− ground state in 4H-SiC}, volume={103}, DOI={<a href=\"https://doi.org/10.1103/physrevb.103.245203\">10.1103/physrevb.103.245203</a>}, journal={Physical Review B}, publisher={American Physical Society (APS)}, author={Murzakhanov, F. F. and Yavkin, B. V. and Mamin, G. V. and Orlinskii, S. B. and von Bardeleben, H. J. and Biktagirov, Timur and Gerstmann, Uwe and Soltamov, V. A.}, year={2021}, pages={245203} }","ama":"Murzakhanov FF, Yavkin BV, Mamin GV, et al. Hyperfine and nuclear quadrupole splitting of the NV− ground state in 4H-SiC. <i>Physical Review B</i>. 2021;103:245203. doi:<a href=\"https://doi.org/10.1103/physrevb.103.245203\">10.1103/physrevb.103.245203</a>","mla":"Murzakhanov, F. F., et al. “Hyperfine and Nuclear Quadrupole Splitting of the NV− Ground State in 4H-SiC.” <i>Physical Review B</i>, vol. 103, American Physical Society (APS), 2021, p. 245203, doi:<a href=\"https://doi.org/10.1103/physrevb.103.245203\">10.1103/physrevb.103.245203</a>."},"project":[{"_id":"52","name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"status":"public","_id":"29749","publisher":"American Physical Society (APS)","page":"245203","volume":103,"user_id":"16199","publication":"Physical Review B","date_created":"2022-02-03T15:39:59Z","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"790"},{"_id":"35"},{"_id":"27"}],"type":"journal_article","author":[{"last_name":"Murzakhanov","first_name":"F. F.","full_name":"Murzakhanov, F. F."},{"full_name":"Yavkin, B. V.","last_name":"Yavkin","first_name":"B. V."},{"full_name":"Mamin, G. V.","first_name":"G. V.","last_name":"Mamin"},{"first_name":"S. B.","last_name":"Orlinskii","full_name":"Orlinskii, S. B."},{"first_name":"H. J.","last_name":"von Bardeleben","full_name":"von Bardeleben, H. J."},{"id":"65612","first_name":"Timur","last_name":"Biktagirov","full_name":"Biktagirov, Timur"},{"full_name":"Gerstmann, Uwe","orcid":"0000-0002-4476-223X","first_name":"Uwe","last_name":"Gerstmann","id":"171"},{"full_name":"Soltamov, V. A.","first_name":"V. A.","last_name":"Soltamov"}],"publication_identifier":{"issn":["2469-9950","2469-9969"]},"year":"2021","title":"Hyperfine and nuclear quadrupole splitting of the NV− ground state in 4H-SiC","intvolume":"       103","publication_status":"published","date_updated":"2025-12-05T14:02:11Z","language":[{"iso":"eng"}],"doi":"10.1103/physrevb.103.245203"},{"intvolume":"       103","date_updated":"2025-12-05T13:58:37Z","publication_status":"published","publication_identifier":{"issn":["2469-9950","2469-9969"]},"author":[{"full_name":"Aldahhak, Hazem","first_name":"Hazem","last_name":"Aldahhak"},{"last_name":"Hogan","first_name":"Conor","full_name":"Hogan, Conor"},{"full_name":"Lindner, Susi","last_name":"Lindner","first_name":"Susi"},{"last_name":"Appelfeller","first_name":"Stephan","full_name":"Appelfeller, Stephan"},{"last_name":"Eisele","first_name":"Holger","full_name":"Eisele, Holger"},{"full_name":"Schmidt, Wolf Gero","last_name":"Schmidt","first_name":"Wolf Gero","orcid":"0000-0002-2717-5076","id":"468"},{"full_name":"Dähne, Mario","first_name":"Mario","last_name":"Dähne"},{"full_name":"Gerstmann, Uwe","last_name":"Gerstmann","first_name":"Uwe","orcid":"0000-0002-4476-223X","id":"171"},{"first_name":"Martin","last_name":"Franz","full_name":"Franz, Martin"}],"title":"Electronic structure of the Si(111)3×3R30∘−B surface from theory and photoemission spectroscopy","status":"public","year":"2021","volume":103,"doi":"10.1103/physrevb.103.035303","user_id":"16199","_id":"22010","language":[{"iso":"eng"}],"page":"035303","project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"},{"name":"TRR 142","_id":"53"},{"name":"TRR 142 - Project Area B","_id":"55"},{"name":"TRR 142 - Subproject B4","_id":"69"},{"_id":"52","name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing"},{"_id":"53","name":"TRR 142: Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen"}],"citation":{"ama":"Aldahhak H, Hogan C, Lindner S, et al. Electronic structure of the Si(111)3×3R30∘−B surface from theory and photoemission spectroscopy. <i>Physical Review B</i>. 2021;103:035303. doi:<a href=\"https://doi.org/10.1103/physrevb.103.035303\">10.1103/physrevb.103.035303</a>","bibtex":"@article{Aldahhak_Hogan_Lindner_Appelfeller_Eisele_Schmidt_Dähne_Gerstmann_Franz_2021, title={Electronic structure of the Si(111)3×3R30∘−B surface from theory and photoemission spectroscopy}, volume={103}, DOI={<a href=\"https://doi.org/10.1103/physrevb.103.035303\">10.1103/physrevb.103.035303</a>}, journal={Physical Review B}, author={Aldahhak, Hazem and Hogan, Conor and Lindner, Susi and Appelfeller, Stephan and Eisele, Holger and Schmidt, Wolf Gero and Dähne, Mario and Gerstmann, Uwe and Franz, Martin}, year={2021}, pages={035303} }","mla":"Aldahhak, Hazem, et al. “Electronic Structure of the Si(111)3×3R30∘−B Surface from Theory and Photoemission Spectroscopy.” <i>Physical Review B</i>, vol. 103, 2021, p. 035303, doi:<a href=\"https://doi.org/10.1103/physrevb.103.035303\">10.1103/physrevb.103.035303</a>.","short":"H. Aldahhak, C. Hogan, S. Lindner, S. Appelfeller, H. Eisele, W.G. Schmidt, M. Dähne, U. Gerstmann, M. Franz, Physical Review B 103 (2021) 035303.","chicago":"Aldahhak, Hazem, Conor Hogan, Susi Lindner, Stephan Appelfeller, Holger Eisele, Wolf Gero Schmidt, Mario Dähne, Uwe Gerstmann, and Martin Franz. “Electronic Structure of the Si(111)3×3R30∘−B Surface from Theory and Photoemission Spectroscopy.” <i>Physical Review B</i> 103 (2021): 035303. <a href=\"https://doi.org/10.1103/physrevb.103.035303\">https://doi.org/10.1103/physrevb.103.035303</a>.","apa":"Aldahhak, H., Hogan, C., Lindner, S., Appelfeller, S., Eisele, H., Schmidt, W. G., Dähne, M., Gerstmann, U., &#38; Franz, M. (2021). Electronic structure of the Si(111)3×3R30∘−B surface from theory and photoemission spectroscopy. <i>Physical Review B</i>, <i>103</i>, 035303. <a href=\"https://doi.org/10.1103/physrevb.103.035303\">https://doi.org/10.1103/physrevb.103.035303</a>","ieee":"H. Aldahhak <i>et al.</i>, “Electronic structure of the Si(111)3×3R30∘−B surface from theory and photoemission spectroscopy,” <i>Physical Review B</i>, vol. 103, p. 035303, 2021, doi: <a href=\"https://doi.org/10.1103/physrevb.103.035303\">10.1103/physrevb.103.035303</a>."},"publication":"Physical Review B","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"230"},{"_id":"429"},{"_id":"35"},{"_id":"790"},{"_id":"27"}],"type":"journal_article","date_created":"2021-05-06T12:53:14Z"},{"doi":"10.1364/cleo_qels.2021.ftu1n.6","user_id":"16199","_id":"40374","language":[{"iso":"eng"}],"publisher":"Optica Publishing Group","date_updated":"2025-12-16T11:13:18Z","publication_status":"published","title":"Multimode integrated SU(1,1) interferometer","status":"public","year":"2021","author":[{"last_name":"Ferreri","first_name":"A.","full_name":"Ferreri, A."},{"id":"55095","orcid":"0000-0001-5718-358X","last_name":"Santandrea","first_name":"Matteo","full_name":"Santandrea, Matteo"},{"id":"42777","full_name":"Stefszky, Michael","first_name":"Michael","last_name":"Stefszky"},{"id":"36389","last_name":"Luo","orcid":"0000-0003-1008-4976","first_name":"Kai Hong","full_name":"Luo, Kai Hong"},{"first_name":"Harald","last_name":"Herrmann","full_name":"Herrmann, Harald","id":"216"},{"last_name":"Silberhorn","first_name":"Christine","full_name":"Silberhorn, Christine","id":"26263"},{"full_name":"Sharapova, Polina","last_name":"Sharapova","first_name":"Polina","id":"60286"}],"type":"conference","department":[{"_id":"15"},{"_id":"569"},{"_id":"170"},{"_id":"230"},{"_id":"288"},{"_id":"429"},{"_id":"35"},{"_id":"429"}],"date_created":"2023-01-26T13:57:47Z","abstract":[{"lang":"eng","text":"<jats:p>We present a frequency multimode integrated SU (1,1) interferometer with a polarization converter and strong signal-idler photon correlations. Phase sensitivity below the shot noise limit is demonstrated, various filtering and seeding strategies are discussed.</jats:p>"}],"project":[{"name":"TRR 142: TRR 142","_id":"53"},{"_id":"56","name":"TRR 142 - C: TRR 142 - Project Area C"},{"_id":"72","name":"TRR 142 - C2: TRR 142 - Subproject C2"}],"publication":"Conference on Lasers and Electro-Optics","citation":{"bibtex":"@inproceedings{Ferreri_Santandrea_Stefszky_Luo_Herrmann_Silberhorn_Sharapova_2021, title={Multimode integrated SU(1,1) interferometer}, DOI={<a href=\"https://doi.org/10.1364/cleo_qels.2021.ftu1n.6\">10.1364/cleo_qels.2021.ftu1n.6</a>}, booktitle={Conference on Lasers and Electro-Optics}, publisher={Optica Publishing Group}, author={Ferreri, A. and Santandrea, Matteo and Stefszky, Michael and Luo, Kai Hong and Herrmann, Harald and Silberhorn, Christine and Sharapova, Polina}, year={2021} }","ama":"Ferreri A, Santandrea M, Stefszky M, et al. Multimode integrated SU(1,1) interferometer. In: <i>Conference on Lasers and Electro-Optics</i>. Optica Publishing Group; 2021. doi:<a href=\"https://doi.org/10.1364/cleo_qels.2021.ftu1n.6\">10.1364/cleo_qels.2021.ftu1n.6</a>","mla":"Ferreri, A., et al. “Multimode Integrated SU(1,1) Interferometer.” <i>Conference on Lasers and Electro-Optics</i>, Optica Publishing Group, 2021, doi:<a href=\"https://doi.org/10.1364/cleo_qels.2021.ftu1n.6\">10.1364/cleo_qels.2021.ftu1n.6</a>.","chicago":"Ferreri, A., Matteo Santandrea, Michael Stefszky, Kai Hong Luo, Harald Herrmann, Christine Silberhorn, and Polina Sharapova. “Multimode Integrated SU(1,1) Interferometer.” In <i>Conference on Lasers and Electro-Optics</i>. Optica Publishing Group, 2021. <a href=\"https://doi.org/10.1364/cleo_qels.2021.ftu1n.6\">https://doi.org/10.1364/cleo_qels.2021.ftu1n.6</a>.","short":"A. Ferreri, M. Santandrea, M. Stefszky, K.H. Luo, H. Herrmann, C. Silberhorn, P. Sharapova, in: Conference on Lasers and Electro-Optics, Optica Publishing Group, 2021.","ieee":"A. Ferreri <i>et al.</i>, “Multimode integrated SU(1,1) interferometer,” 2021, doi: <a href=\"https://doi.org/10.1364/cleo_qels.2021.ftu1n.6\">10.1364/cleo_qels.2021.ftu1n.6</a>.","apa":"Ferreri, A., Santandrea, M., Stefszky, M., Luo, K. H., Herrmann, H., Silberhorn, C., &#38; Sharapova, P. (2021). Multimode integrated SU(1,1) interferometer. <i>Conference on Lasers and Electro-Optics</i>. <a href=\"https://doi.org/10.1364/cleo_qels.2021.ftu1n.6\">https://doi.org/10.1364/cleo_qels.2021.ftu1n.6</a>"}},{"department":[{"_id":"15"},{"_id":"170"},{"_id":"297"},{"_id":"230"},{"_id":"35"},{"_id":"27"}],"type":"journal_article","date_created":"2021-03-02T10:26:56Z","project":[{"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","_id":"52"}],"citation":{"bibtex":"@article{Luk_Vergnet_Lafont_Lewandowski_Kwong_Galopin_Lemaitre_Roussignol_Tignon_Schumacher_et al._2021, title={All-Optical Beam Steering Using the Polariton Lighthouse Effect}, DOI={<a href=\"https://doi.org/10.1021/acsphotonics.0c01962\">10.1021/acsphotonics.0c01962</a>}, journal={ACS Photonics}, author={Luk, Samuel M. H. and Vergnet, Hadrien and Lafont, Ombline and Lewandowski, Przemyslaw and Kwong, Nai H. and Galopin, Elisabeth and Lemaitre, Aristide and Roussignol, Philippe and Tignon, Jérôme and Schumacher, Stefan and et al.}, year={2021}, pages={449–454} }","ama":"Luk SMH, Vergnet H, Lafont O, et al. All-Optical Beam Steering Using the Polariton Lighthouse Effect. <i>ACS Photonics</i>. Published online 2021:449-454. doi:<a href=\"https://doi.org/10.1021/acsphotonics.0c01962\">10.1021/acsphotonics.0c01962</a>","mla":"Luk, Samuel M. H., et al. “All-Optical Beam Steering Using the Polariton Lighthouse Effect.” <i>ACS Photonics</i>, 2021, pp. 449–54, doi:<a href=\"https://doi.org/10.1021/acsphotonics.0c01962\">10.1021/acsphotonics.0c01962</a>.","chicago":"Luk, Samuel M. H., Hadrien Vergnet, Ombline Lafont, Przemyslaw Lewandowski, Nai H. Kwong, Elisabeth Galopin, Aristide Lemaitre, et al. “All-Optical Beam Steering Using the Polariton Lighthouse Effect.” <i>ACS Photonics</i>, 2021, 449–54. <a href=\"https://doi.org/10.1021/acsphotonics.0c01962\">https://doi.org/10.1021/acsphotonics.0c01962</a>.","short":"S.M.H. Luk, H. Vergnet, O. Lafont, P. Lewandowski, N.H. Kwong, E. Galopin, A. Lemaitre, P. Roussignol, J. Tignon, S. Schumacher, R. Binder, E. Baudin, ACS Photonics (2021) 449–454.","ieee":"S. M. H. Luk <i>et al.</i>, “All-Optical Beam Steering Using the Polariton Lighthouse Effect,” <i>ACS Photonics</i>, pp. 449–454, 2021, doi: <a href=\"https://doi.org/10.1021/acsphotonics.0c01962\">10.1021/acsphotonics.0c01962</a>.","apa":"Luk, S. M. H., Vergnet, H., Lafont, O., Lewandowski, P., Kwong, N. H., Galopin, E., Lemaitre, A., Roussignol, P., Tignon, J., Schumacher, S., Binder, R., &#38; Baudin, E. (2021). All-Optical Beam Steering Using the Polariton Lighthouse Effect. <i>ACS Photonics</i>, 449–454. <a href=\"https://doi.org/10.1021/acsphotonics.0c01962\">https://doi.org/10.1021/acsphotonics.0c01962</a>"},"publication":"ACS Photonics","user_id":"16199","doi":"10.1021/acsphotonics.0c01962","_id":"21360","language":[{"iso":"eng"}],"page":"449-454","publication_status":"published","date_updated":"2025-12-16T11:12:33Z","author":[{"full_name":"Luk, Samuel M. H.","last_name":"Luk","first_name":"Samuel M. 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Dong, S. Schumacher, The Journal of Physical Chemistry C 125 (2021) 21824–21830.","ieee":"C.-D. Dong and S. Schumacher, “Microscopic Insights into Charge Formation and Energetics in n-Doped Organic Semiconductors,” <i>The Journal of Physical Chemistry C</i>, vol. 125, no. 40, pp. 21824–21830, 2021, doi: <a href=\"https://doi.org/10.1021/acs.jpcc.1c05666\">10.1021/acs.jpcc.1c05666</a>.","apa":"Dong, C.-D., &#38; Schumacher, S. (2021). Microscopic Insights into Charge Formation and Energetics in n-Doped Organic Semiconductors. <i>The Journal of Physical Chemistry C</i>, <i>125</i>(40), 21824–21830. <a href=\"https://doi.org/10.1021/acs.jpcc.1c05666\">https://doi.org/10.1021/acs.jpcc.1c05666</a>","bibtex":"@article{Dong_Schumacher_2021, title={Microscopic Insights into Charge Formation and Energetics in n-Doped Organic Semiconductors}, volume={125}, DOI={<a href=\"https://doi.org/10.1021/acs.jpcc.1c05666\">10.1021/acs.jpcc.1c05666</a>}, number={40}, journal={The Journal of Physical Chemistry C}, publisher={American Chemical Society (ACS)}, author={Dong, Chuan-Ding and Schumacher, Stefan}, year={2021}, pages={21824–21830} }","ama":"Dong C-D, Schumacher S. Microscopic Insights into Charge Formation and Energetics in n-Doped Organic Semiconductors. <i>The Journal of Physical Chemistry C</i>. 2021;125(40):21824-21830. doi:<a href=\"https://doi.org/10.1021/acs.jpcc.1c05666\">10.1021/acs.jpcc.1c05666</a>","mla":"Dong, Chuan-Ding, and Stefan Schumacher. “Microscopic Insights into Charge Formation and Energetics in N-Doped Organic Semiconductors.” <i>The Journal of Physical Chemistry C</i>, vol. 125, no. 40, American Chemical Society (ACS), 2021, pp. 21824–30, doi:<a href=\"https://doi.org/10.1021/acs.jpcc.1c05666\">10.1021/acs.jpcc.1c05666</a>."}},{"type":"journal_article","keyword":["Electrical and Electronic Engineering","Atomic and Molecular Physics","and Optics","Electronic","Optical and Magnetic Materials"],"department":[{"_id":"15"},{"_id":"569"},{"_id":"170"},{"_id":"230"},{"_id":"35"}],"date_created":"2023-01-26T14:03:44Z","publication":"Optics &amp; Laser Technology","doi":"10.1016/j.optlastec.2020.106769","article_number":"106769","language":[{"iso":"eng"}],"publication_status":"published","date_updated":"2025-12-16T11:27:32Z","intvolume":"       136","year":"2021","title":"Managing spectral properties and Schmidt mode content of squeezed vacuum light using sum-frequency converter","author":[{"last_name":"Sukharnikov","first_name":"Vladislav","full_name":"Sukharnikov, Vladislav"},{"id":"60286","first_name":"Polina","last_name":"Sharapova","full_name":"Sharapova, Polina"},{"last_name":"Tikhonova","first_name":"Olga","full_name":"Tikhonova, Olga"}],"publication_identifier":{"issn":["0030-3992"]},"citation":{"ama":"Sukharnikov V, Sharapova P, Tikhonova O. Managing spectral properties and Schmidt mode content of squeezed vacuum light using sum-frequency converter. <i>Optics &#38;amp; Laser Technology</i>. 2021;136. doi:<a href=\"https://doi.org/10.1016/j.optlastec.2020.106769\">10.1016/j.optlastec.2020.106769</a>","bibtex":"@article{Sukharnikov_Sharapova_Tikhonova_2021, title={Managing spectral properties and Schmidt mode content of squeezed vacuum light using sum-frequency converter}, volume={136}, DOI={<a href=\"https://doi.org/10.1016/j.optlastec.2020.106769\">10.1016/j.optlastec.2020.106769</a>}, number={106769}, journal={Optics &#38;amp; Laser Technology}, publisher={Elsevier BV}, author={Sukharnikov, Vladislav and Sharapova, Polina and Tikhonova, Olga}, year={2021} }","mla":"Sukharnikov, Vladislav, et al. “Managing Spectral Properties and Schmidt Mode Content of Squeezed Vacuum Light Using Sum-Frequency Converter.” <i>Optics &#38;amp; Laser Technology</i>, vol. 136, 106769, Elsevier BV, 2021, doi:<a href=\"https://doi.org/10.1016/j.optlastec.2020.106769\">10.1016/j.optlastec.2020.106769</a>.","chicago":"Sukharnikov, Vladislav, Polina Sharapova, and Olga Tikhonova. “Managing Spectral Properties and Schmidt Mode Content of Squeezed Vacuum Light Using Sum-Frequency Converter.” <i>Optics &#38;amp; Laser Technology</i> 136 (2021). <a href=\"https://doi.org/10.1016/j.optlastec.2020.106769\">https://doi.org/10.1016/j.optlastec.2020.106769</a>.","short":"V. Sukharnikov, P. Sharapova, O. Tikhonova, Optics &#38;amp; Laser Technology 136 (2021).","apa":"Sukharnikov, V., Sharapova, P., &#38; Tikhonova, O. (2021). Managing spectral properties and Schmidt mode content of squeezed vacuum light using sum-frequency converter. <i>Optics &#38;amp; Laser Technology</i>, <i>136</i>, Article 106769. <a href=\"https://doi.org/10.1016/j.optlastec.2020.106769\">https://doi.org/10.1016/j.optlastec.2020.106769</a>","ieee":"V. Sukharnikov, P. Sharapova, and O. 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Band Alignment at Ga            <sub>              <i>x</i>            </sub>            In            <sub>              1–              <i>x</i>            </sub>            P/Al            <sub>              <i>y</i>            </sub>            In            <sub>              1–              <i>y</i>            </sub>            P Alloy Interfaces from Hybrid Density Functional Theory Calculations. <i>physica status solidi (b)</i>. 2020;258(2). doi:<a href=\"https://doi.org/10.1002/pssb.202000463\">10.1002/pssb.202000463</a>","bibtex":"@article{Meier_Braun_Hannappel_Schmidt_2020, title={Band Alignment at Ga            <sub>              <i>x</i>            </sub>            In            <sub>              1–              <i>x</i>            </sub>            P/Al            <sub>              <i>y</i>            </sub>            In            <sub>              1–              <i>y</i>            </sub>            P Alloy Interfaces from Hybrid Density Functional Theory Calculations}, volume={258}, DOI={<a href=\"https://doi.org/10.1002/pssb.202000463\">10.1002/pssb.202000463</a>}, number={22000463}, journal={physica status solidi (b)}, publisher={Wiley}, author={Meier, Lukas and Braun, Christian and Hannappel, Thomas and Schmidt, Wolf Gero}, year={2020} }","mla":"Meier, Lukas, et al. “Band Alignment at Ga            <sub>              <i>x</i>            </sub>            In            <sub>              1–              <i>x</i>            </sub>            P/Al            <sub>              <i>y</i>            </sub>            In            <sub>              1–              <i>y</i>            </sub>            P Alloy Interfaces from Hybrid Density Functional Theory Calculations.” <i>Physica Status Solidi (b)</i>, vol. 258, no. 2, 2000463, Wiley, 2020, doi:<a href=\"https://doi.org/10.1002/pssb.202000463\">10.1002/pssb.202000463</a>.","short":"L. 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Band Alignment at Ga            <sub>              <i>x</i>            </sub>            In            <sub>              1–              <i>x</i>            </sub>            P/Al            <sub>              <i>y</i>            </sub>            In            <sub>              1–              <i>y</i>            </sub>            P Alloy Interfaces from Hybrid Density Functional Theory Calculations. <i>Physica Status Solidi (b)</i>, <i>258</i>(2), Article 2000463. <a href=\"https://doi.org/10.1002/pssb.202000463\">https://doi.org/10.1002/pssb.202000463</a>","ieee":"L. Meier, C. Braun, T. Hannappel, and W. G. 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Vibrational Raman spectroscopy on adsorbate-induced low-dimensional surface structures. <i>Surface Science Reports</i>, <i>75</i>(1), Article 100480. <a href=\"https://doi.org/10.1016/j.surfrep.2020.100480\">https://doi.org/10.1016/j.surfrep.2020.100480</a>","ieee":"E. Speiser, N. Esser, B. Halbig, J. Geurts, W. G. Schmidt, and S. Sanna, “Vibrational Raman spectroscopy on adsorbate-induced low-dimensional surface structures,” <i>Surface Science Reports</i>, vol. 75, no. 1, Art. no. 100480, 2020, doi: <a href=\"https://doi.org/10.1016/j.surfrep.2020.100480\">10.1016/j.surfrep.2020.100480</a>.","short":"E. Speiser, N. Esser, B. Halbig, J. Geurts, W.G. Schmidt, S. 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Detector-Agnostic Phase-Space Distributions. <i>Physical Review Letters</i>. Published online 2020. doi:<a href=\"https://doi.org/10.1103/physrevlett.124.013605\">10.1103/physrevlett.124.013605</a>","mla":"Sperling, Jan, et al. “Detector-Agnostic Phase-Space Distributions.” <i>Physical Review Letters</i>, 2020, doi:<a href=\"https://doi.org/10.1103/physrevlett.124.013605\">10.1103/physrevlett.124.013605</a>.","short":"J. Sperling, D.S. Phillips, J.F.F. Bulmer, G.S. Thekkadath, A. Eckstein, T.A.W. Wolterink, J. Lugani, S.W. Nam, A. Lita, T. Gerrits, W. Vogel, G.S. Agarwal, C. Silberhorn, I.A. Walmsley, Physical Review Letters (2020).","chicago":"Sperling, Jan, D. S. Phillips, J. F. F Bulmer, G. S. Thekkadath, A. Eckstein, T. A. W. Wolterink, J. Lugani, et al. “Detector-Agnostic Phase-Space Distributions.” <i>Physical Review Letters</i>, 2020. <a href=\"https://doi.org/10.1103/physrevlett.124.013605\">https://doi.org/10.1103/physrevlett.124.013605</a>.","ieee":"J. Sperling <i>et al.</i>, “Detector-Agnostic Phase-Space Distributions,” <i>Physical Review Letters</i>, 2020, doi: <a href=\"https://doi.org/10.1103/physrevlett.124.013605\">10.1103/physrevlett.124.013605</a>.","apa":"Sperling, J., Phillips, D. S., Bulmer, J. F. F., Thekkadath, G. S., Eckstein, A., Wolterink, T. A. W., Lugani, J., Nam, S. W., Lita, A., Gerrits, T., Vogel, W., Agarwal, G. S., Silberhorn, C., &#38; Walmsley, I. A. (2020). 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Published online 2020. doi:<a href=\"https://doi.org/10.1103/physrevlett.125.213604\">10.1103/physrevlett.125.213604</a>","mla":"Nitsche, Thomas, et al. “Local Versus Global Two-Photon Interference in Quantum Networks.” <i>Physical Review Letters</i>, 2020, doi:<a href=\"https://doi.org/10.1103/physrevlett.125.213604\">10.1103/physrevlett.125.213604</a>."},"publication":"Physical Review Letters","department":[{"_id":"15"},{"_id":"170"},{"_id":"706"},{"_id":"288"},{"_id":"230"},{"_id":"623"},{"_id":"35"}],"type":"journal_article","date_created":"2021-10-15T16:09:30Z"},{"abstract":[{"lang":"eng","text":"<p>Coulomb binding energy is reduced when a few-molecule integer charge transfer complex (ICTC) is formed.</p>"}],"issue":"34","publication":"Journal of Materials Chemistry C","keyword":["Materials Chemistry","General Chemistry"],"type":"journal_article","department":[{"_id":"15"},{"_id":"170"},{"_id":"297"},{"_id":"230"},{"_id":"35"}],"date_created":"2023-01-26T16:01:22Z","publication_status":"published","date_updated":"2023-04-20T15:39:34Z","intvolume":"         8","year":"2020","title":"Molecular doping in few-molecule polymer-dopant complexes shows reduced Coulomb binding","publication_identifier":{"issn":["2050-7526","2050-7534"]},"author":[{"full_name":"Dong, Chuan-Ding","first_name":"Chuan-Ding","last_name":"Dong","id":"67188"},{"last_name":"Schumacher","orcid":"0000-0003-4042-4951","first_name":"Stefan","full_name":"Schumacher, Stefan","id":"27271"}],"doi":"10.1039/d0tc02185g","language":[{"iso":"eng"}],"project":[{"_id":"52","name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"citation":{"apa":"Dong, C.-D., &#38; Schumacher, S. (2020). Molecular doping in few-molecule polymer-dopant complexes shows reduced Coulomb binding. <i>Journal of Materials Chemistry C</i>, <i>8</i>(34), 11929–11935. <a href=\"https://doi.org/10.1039/d0tc02185g\">https://doi.org/10.1039/d0tc02185g</a>","ieee":"C.-D. Dong and S. Schumacher, “Molecular doping in few-molecule polymer-dopant complexes shows reduced Coulomb binding,” <i>Journal of Materials Chemistry C</i>, vol. 8, no. 34, pp. 11929–11935, 2020, doi: <a href=\"https://doi.org/10.1039/d0tc02185g\">10.1039/d0tc02185g</a>.","short":"C.-D. Dong, S. Schumacher, Journal of Materials Chemistry C 8 (2020) 11929–11935.","chicago":"Dong, Chuan-Ding, and Stefan Schumacher. “Molecular Doping in Few-Molecule Polymer-Dopant Complexes Shows Reduced Coulomb Binding.” <i>Journal of Materials Chemistry C</i> 8, no. 34 (2020): 11929–35. <a href=\"https://doi.org/10.1039/d0tc02185g\">https://doi.org/10.1039/d0tc02185g</a>.","mla":"Dong, Chuan-Ding, and Stefan Schumacher. “Molecular Doping in Few-Molecule Polymer-Dopant Complexes Shows Reduced Coulomb Binding.” <i>Journal of Materials Chemistry C</i>, vol. 8, no. 34, Royal Society of Chemistry (RSC), 2020, pp. 11929–35, doi:<a href=\"https://doi.org/10.1039/d0tc02185g\">10.1039/d0tc02185g</a>.","ama":"Dong C-D, Schumacher S. Molecular doping in few-molecule polymer-dopant complexes shows reduced Coulomb binding. <i>Journal of Materials Chemistry C</i>. 2020;8(34):11929-11935. doi:<a href=\"https://doi.org/10.1039/d0tc02185g\">10.1039/d0tc02185g</a>","bibtex":"@article{Dong_Schumacher_2020, title={Molecular doping in few-molecule polymer-dopant complexes shows reduced Coulomb binding}, volume={8}, DOI={<a href=\"https://doi.org/10.1039/d0tc02185g\">10.1039/d0tc02185g</a>}, number={34}, journal={Journal of Materials Chemistry C}, publisher={Royal Society of Chemistry (RSC)}, author={Dong, Chuan-Ding and Schumacher, Stefan}, year={2020}, pages={11929–11935} }"},"status":"public","user_id":"16199","volume":8,"page":"11929-11935","publisher":"Royal Society of Chemistry (RSC)","_id":"40435"},{"status":"public","user_id":"16199","volume":101,"page":"245309","_id":"20582","publisher":"American Physical Society","project":[{"name":"TRR 142","_id":"53"},{"name":"TRR 142 - Project Area A","_id":"54"},{"name":"TRR 142 - Subproject A4","_id":"61"}],"citation":{"mla":"Berger, Bernd, et al. “Formation Dynamics of Exciton-Polariton Vortices Created by Nonresonant Annular Pumping.” <i>Physical Review B</i>, vol. 101, no. 24, American Physical Society, 2020, p. 245309, doi:<a href=\"https://doi.org/10.1103/PhysRevB.101.245309\">10.1103/PhysRevB.101.245309</a>.","bibtex":"@article{Berger_Schmidt_Ma_Schumacher_Schneider_Höfling_Assmann_2020, title={Formation dynamics of exciton-polariton vortices created by nonresonant annular pumping}, volume={101}, DOI={<a href=\"https://doi.org/10.1103/PhysRevB.101.245309\">10.1103/PhysRevB.101.245309</a>}, number={24}, journal={Physical Review B}, publisher={American Physical Society}, author={Berger, Bernd and Schmidt, Daniel and Ma, Xuekai and Schumacher, Stefan and Schneider, Christian and Höfling, Sven and Assmann, Marc}, year={2020}, pages={245309} }","ama":"Berger B, Schmidt D, Ma X, et al. Formation dynamics of exciton-polariton vortices created by nonresonant annular pumping. <i>Physical Review B</i>. 2020;101(24):245309. doi:<a href=\"https://doi.org/10.1103/PhysRevB.101.245309\">10.1103/PhysRevB.101.245309</a>","ieee":"B. Berger <i>et al.</i>, “Formation dynamics of exciton-polariton vortices created by nonresonant annular pumping,” <i>Physical Review B</i>, vol. 101, no. 24, p. 245309, 2020, doi: <a href=\"https://doi.org/10.1103/PhysRevB.101.245309\">10.1103/PhysRevB.101.245309</a>.","apa":"Berger, B., Schmidt, D., Ma, X., Schumacher, S., Schneider, C., Höfling, S., &#38; Assmann, M. (2020). Formation dynamics of exciton-polariton vortices created by nonresonant annular pumping. <i>Physical Review B</i>, <i>101</i>(24), 245309. <a href=\"https://doi.org/10.1103/PhysRevB.101.245309\">https://doi.org/10.1103/PhysRevB.101.245309</a>","chicago":"Berger, Bernd, Daniel Schmidt, Xuekai Ma, Stefan Schumacher, Christian Schneider, Sven Höfling, and Marc Assmann. “Formation Dynamics of Exciton-Polariton Vortices Created by Nonresonant Annular Pumping.” <i>Physical Review B</i> 101, no. 24 (2020): 245309. <a href=\"https://doi.org/10.1103/PhysRevB.101.245309\">https://doi.org/10.1103/PhysRevB.101.245309</a>.","short":"B. Berger, D. Schmidt, X. Ma, S. Schumacher, C. Schneider, S. Höfling, M. Assmann, Physical Review B 101 (2020) 245309."},"publication_status":"published","date_updated":"2023-04-20T15:40:33Z","article_type":"original","intvolume":"       101","title":"Formation dynamics of exciton-polariton vortices created by nonresonant annular pumping","year":"2020","author":[{"last_name":"Berger","first_name":"Bernd","full_name":"Berger, Bernd"},{"full_name":"Schmidt, Daniel","first_name":"Daniel","last_name":"Schmidt"},{"id":"59416","first_name":"Xuekai","last_name":"Ma","full_name":"Ma, Xuekai"},{"id":"27271","full_name":"Schumacher, Stefan","first_name":"Stefan","last_name":"Schumacher","orcid":"0000-0003-4042-4951"},{"full_name":"Schneider, Christian","last_name":"Schneider","first_name":"Christian"},{"full_name":"Höfling, Sven","last_name":"Höfling","first_name":"Sven"},{"last_name":"Assmann","first_name":"Marc","full_name":"Assmann, Marc"}],"doi":"10.1103/PhysRevB.101.245309","language":[{"iso":"eng"}],"publication":"Physical Review B","issue":"24","type":"journal_article","department":[{"_id":"170"},{"_id":"230"},{"_id":"429"},{"_id":"15"},{"_id":"297"},{"_id":"705"},{"_id":"35"}],"date_created":"2020-12-02T09:10:54Z"},{"_id":"40443","publisher":"American Physical Society (APS)","volume":101,"user_id":"16199","status":"public","citation":{"apa":"Pukrop, M., &#38; Schumacher, S. (2020). Externally controlled Lotka-Volterra dynamics in a linearly polarized polariton fluid. <i>Physical Review E</i>, <i>101</i>(1), Article 012207. <a href=\"https://doi.org/10.1103/physreve.101.012207\">https://doi.org/10.1103/physreve.101.012207</a>","ieee":"M. Pukrop and S. Schumacher, “Externally controlled Lotka-Volterra dynamics in a linearly polarized polariton fluid,” <i>Physical Review E</i>, vol. 101, no. 1, Art. no. 012207, 2020, doi: <a href=\"https://doi.org/10.1103/physreve.101.012207\">10.1103/physreve.101.012207</a>.","short":"M. Pukrop, S. Schumacher, Physical Review E 101 (2020).","chicago":"Pukrop, Matthias, and Stefan Schumacher. “Externally Controlled Lotka-Volterra Dynamics in a Linearly Polarized Polariton Fluid.” <i>Physical Review E</i> 101, no. 1 (2020). <a href=\"https://doi.org/10.1103/physreve.101.012207\">https://doi.org/10.1103/physreve.101.012207</a>.","mla":"Pukrop, Matthias, and Stefan Schumacher. “Externally Controlled Lotka-Volterra Dynamics in a Linearly Polarized Polariton Fluid.” <i>Physical Review E</i>, vol. 101, no. 1, 012207, American Physical Society (APS), 2020, doi:<a href=\"https://doi.org/10.1103/physreve.101.012207\">10.1103/physreve.101.012207</a>.","ama":"Pukrop M, Schumacher S. Externally controlled Lotka-Volterra dynamics in a linearly polarized polariton fluid. <i>Physical Review E</i>. 2020;101(1). doi:<a href=\"https://doi.org/10.1103/physreve.101.012207\">10.1103/physreve.101.012207</a>","bibtex":"@article{Pukrop_Schumacher_2020, title={Externally controlled Lotka-Volterra dynamics in a linearly polarized polariton fluid}, volume={101}, DOI={<a href=\"https://doi.org/10.1103/physreve.101.012207\">10.1103/physreve.101.012207</a>}, number={1012207}, journal={Physical Review E}, publisher={American Physical Society (APS)}, author={Pukrop, Matthias and Schumacher, Stefan}, year={2020} }"},"language":[{"iso":"eng"}],"article_number":"012207","doi":"10.1103/physreve.101.012207","author":[{"first_name":"Matthias","last_name":"Pukrop","full_name":"Pukrop, Matthias"},{"orcid":"0000-0003-4042-4951","last_name":"Schumacher","first_name":"Stefan","full_name":"Schumacher, Stefan","id":"27271"}],"publication_identifier":{"issn":["2470-0045","2470-0053"]},"year":"2020","title":"Externally controlled Lotka-Volterra dynamics in a linearly polarized polariton fluid","intvolume":"       101","date_updated":"2023-04-20T15:40:00Z","publication_status":"published","date_created":"2023-01-26T16:09:04Z","department":[{"_id":"15"},{"_id":"170"},{"_id":"297"},{"_id":"230"},{"_id":"35"}],"type":"journal_article","publication":"Physical Review E","issue":"1"},{"has_accepted_license":"1","status":"public","volume":2,"user_id":"16199","ddc":["530"],"publisher":"American Physical Society","_id":"19190","project":[{"name":"TRR 142","_id":"53"},{"name":"TRR 142 - Project Area B","_id":"55"},{"_id":"69","name":"TRR 142 - Subproject B4"},{"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"}],"quality_controlled":"1","citation":{"bibtex":"@article{Schmidt_Kozub_Biktagirov_Eigner_Silberhorn_Schindlmayr_Schmidt_Gerstmann_2020, title={Free and defect-bound (bi)polarons in LiNbO3: Atomic structure and spectroscopic signatures from ab initio calculations}, volume={2}, DOI={<a href=\"https://doi.org/10.1103/PhysRevResearch.2.043002\">10.1103/PhysRevResearch.2.043002</a>}, number={4043002}, journal={Physical Review Research}, publisher={American Physical Society}, author={Schmidt, Falko and Kozub, Agnieszka L. and Biktagirov, Timur and Eigner, Christof and Silberhorn, Christine and Schindlmayr, Arno and Schmidt, Wolf Gero and Gerstmann, Uwe}, year={2020} }","ama":"Schmidt F, Kozub AL, Biktagirov T, et al. Free and defect-bound (bi)polarons in LiNbO3: Atomic structure and spectroscopic signatures from ab initio calculations. <i>Physical Review Research</i>. 2020;2(4). doi:<a href=\"https://doi.org/10.1103/PhysRevResearch.2.043002\">10.1103/PhysRevResearch.2.043002</a>","mla":"Schmidt, Falko, et al. “Free and Defect-Bound (Bi)Polarons in LiNbO3: Atomic Structure and Spectroscopic Signatures from Ab Initio Calculations.” <i>Physical Review Research</i>, vol. 2, no. 4, 043002, American Physical Society, 2020, doi:<a href=\"https://doi.org/10.1103/PhysRevResearch.2.043002\">10.1103/PhysRevResearch.2.043002</a>.","chicago":"Schmidt, Falko, Agnieszka L. Kozub, Timur Biktagirov, Christof Eigner, Christine Silberhorn, Arno Schindlmayr, Wolf Gero Schmidt, and Uwe Gerstmann. “Free and Defect-Bound (Bi)Polarons in LiNbO3: Atomic Structure and Spectroscopic Signatures from Ab Initio Calculations.” <i>Physical Review Research</i> 2, no. 4 (2020). <a href=\"https://doi.org/10.1103/PhysRevResearch.2.043002\">https://doi.org/10.1103/PhysRevResearch.2.043002</a>.","short":"F. Schmidt, A.L. Kozub, T. Biktagirov, C. Eigner, C. Silberhorn, A. Schindlmayr, W.G. Schmidt, U. Gerstmann, Physical Review Research 2 (2020).","ieee":"F. Schmidt <i>et al.</i>, “Free and defect-bound (bi)polarons in LiNbO3: Atomic structure and spectroscopic signatures from ab initio calculations,” <i>Physical Review Research</i>, vol. 2, no. 4, Art. no. 043002, 2020, doi: <a href=\"https://doi.org/10.1103/PhysRevResearch.2.043002\">10.1103/PhysRevResearch.2.043002</a>.","apa":"Schmidt, F., Kozub, A. L., Biktagirov, T., Eigner, C., Silberhorn, C., Schindlmayr, A., Schmidt, W. G., &#38; Gerstmann, U. (2020). Free and defect-bound (bi)polarons in LiNbO3: Atomic structure and spectroscopic signatures from ab initio calculations. <i>Physical Review Research</i>, <i>2</i>(4), Article 043002. <a href=\"https://doi.org/10.1103/PhysRevResearch.2.043002\">https://doi.org/10.1103/PhysRevResearch.2.043002</a>"},"isi":"1","file_date_updated":"2020-10-02T07:37:24Z","oa":"1","external_id":{"isi":["000604206300002"]},"article_type":"original","intvolume":"         2","publication_status":"published","date_updated":"2023-04-20T16:06:21Z","publication_identifier":{"eissn":["2643-1564"]},"author":[{"id":"35251","first_name":"Falko","last_name":"Schmidt","orcid":"0000-0002-5071-5528","full_name":"Schmidt, Falko"},{"id":"77566","full_name":"Kozub, Agnieszka L.","last_name":"Kozub","orcid":"https://orcid.org/0000-0001-6584-0201","first_name":"Agnieszka L."},{"full_name":"Biktagirov, Timur","first_name":"Timur","last_name":"Biktagirov","id":"65612"},{"id":"13244","full_name":"Eigner, Christof","first_name":"Christof","last_name":"Eigner","orcid":"https://orcid.org/0000-0002-5693-3083"},{"id":"26263","last_name":"Silberhorn","first_name":"Christine","full_name":"Silberhorn, Christine"},{"id":"458","full_name":"Schindlmayr, Arno","last_name":"Schindlmayr","orcid":"0000-0002-4855-071X","first_name":"Arno"},{"id":"468","last_name":"Schmidt","orcid":"0000-0002-2717-5076","first_name":"Wolf Gero","full_name":"Schmidt, Wolf Gero"},{"id":"171","last_name":"Gerstmann","orcid":"0000-0002-4476-223X","first_name":"Uwe","full_name":"Gerstmann, Uwe"}],"year":"2020","title":"Free and defect-bound (bi)polarons in LiNbO3: Atomic structure and spectroscopic signatures from ab initio calculations","doi":"10.1103/PhysRevResearch.2.043002","language":[{"iso":"eng"}],"article_number":"043002","abstract":[{"text":"Polarons in dielectric crystals play a crucial role for applications in integrated electronics and optoelectronics. In this work, we use density-functional theory and Green's function methods to explore the microscopic structure and spectroscopic signatures of electron polarons in lithium niobate (LiNbO3). Total-energy calculations and the comparison of calculated electron paramagnetic resonance data with available measurements reveal the formation of bound \r\npolarons at Nb_Li antisite defects with a quasi-Jahn-Teller distorted, tilted configuration. The defect-formation energies further indicate that (bi)polarons may form not only at \r\nNb_Li antisites but also at structures where the antisite Nb atom moves into a neighboring empty oxygen octahedron. Based on these structure models, and on the calculated charge-transition levels and potential-energy barriers, we propose two mechanisms for the optical and thermal splitting of bipolarons, which provide a natural explanation for the reported two-path recombination of bipolarons. Optical-response calculations based on the Bethe-Salpeter equation, in combination with available experimental data and new measurements of the optical absorption spectrum, further corroborate the geometries proposed here for free and defect-bound (bi)polarons.","lang":"eng"}],"issue":"4","publication":"Physical Review Research","department":[{"_id":"296"},{"_id":"230"},{"_id":"429"},{"_id":"295"},{"_id":"288"},{"_id":"15"},{"_id":"170"},{"_id":"35"},{"_id":"790"}],"type":"journal_article","date_created":"2020-09-09T09:35:21Z","file":[{"creator":"schindlm","description":"Creative Commons Attribution 4.0 International Public License (CC BY 4.0)","relation":"main_file","date_updated":"2020-10-02T07:37:24Z","file_size":1955183,"title":"Free and defect-bound (bi)polarons in LiNbO3: Atomic structure and spectroscopic signatures from ab initio calculations","file_id":"19843","content_type":"application/pdf","date_created":"2020-10-02T07:27:38Z","file_name":"PhysRevResearch.2.043002.pdf","access_level":"open_access"}]},{"user_id":"16199","doi":"10.1021/acs.jpcc.9b11116","language":[{"iso":"eng"}],"_id":"17066","page":"6090-6102","publication_status":"published","date_updated":"2023-04-20T16:07:15Z","author":[{"full_name":"Aldahhak, Hazem","first_name":"Hazem","last_name":"Aldahhak"},{"first_name":"Paulina","last_name":"Powroźnik","full_name":"Powroźnik, Paulina"},{"first_name":"Piotr","last_name":"Pander","full_name":"Pander, Piotr"},{"full_name":"Jakubik, Wiesław","last_name":"Jakubik","first_name":"Wiesław"},{"full_name":"Dias, Fernando B.","last_name":"Dias","first_name":"Fernando B."},{"full_name":"Schmidt, Wolf Gero","last_name":"Schmidt","orcid":"0000-0002-2717-5076","first_name":"Wolf Gero","id":"468"},{"id":"171","full_name":"Gerstmann, Uwe","first_name":"Uwe","orcid":"0000-0002-4476-223X","last_name":"Gerstmann"},{"full_name":"Krzywiecki, Maciej","last_name":"Krzywiecki","first_name":"Maciej"}],"publication_identifier":{"issn":["1932-7447","1932-7455"]},"year":"2020","title":"Toward Efficient Toxic-Gas Detectors: Exploring Molecular Interactions of Sarin and Dimethyl Methylphosphonate with Metal-Centered Phthalocyanine Structures","status":"public","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"230"},{"_id":"35"},{"_id":"790"}],"type":"journal_article","date_created":"2020-05-29T09:51:10Z","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":"@article{Aldahhak_Powroźnik_Pander_Jakubik_Dias_Schmidt_Gerstmann_Krzywiecki_2020, title={Toward Efficient Toxic-Gas Detectors: Exploring Molecular Interactions of Sarin and Dimethyl Methylphosphonate with Metal-Centered Phthalocyanine Structures}, DOI={<a href=\"https://doi.org/10.1021/acs.jpcc.9b11116\">10.1021/acs.jpcc.9b11116</a>}, number={124}, journal={The Journal of Physical Chemistry C}, author={Aldahhak, Hazem and Powroźnik, Paulina and Pander, Piotr and Jakubik, Wiesław and Dias, Fernando B. and Schmidt, Wolf Gero and Gerstmann, Uwe and Krzywiecki, Maciej}, year={2020}, pages={6090–6102} }","ama":"Aldahhak H, Powroźnik P, Pander P, et al. Toward Efficient Toxic-Gas Detectors: Exploring Molecular Interactions of Sarin and Dimethyl Methylphosphonate with Metal-Centered Phthalocyanine Structures. <i>The Journal of Physical Chemistry C</i>. 2020;(124):6090-6102. doi:<a href=\"https://doi.org/10.1021/acs.jpcc.9b11116\">10.1021/acs.jpcc.9b11116</a>","mla":"Aldahhak, Hazem, et al. “Toward Efficient Toxic-Gas Detectors: Exploring Molecular Interactions of Sarin and Dimethyl Methylphosphonate with Metal-Centered Phthalocyanine Structures.” <i>The Journal of Physical Chemistry C</i>, no. 124, 2020, pp. 6090–102, doi:<a href=\"https://doi.org/10.1021/acs.jpcc.9b11116\">10.1021/acs.jpcc.9b11116</a>.","short":"H. Aldahhak, P. Powroźnik, P. Pander, W. Jakubik, F.B. Dias, W.G. Schmidt, U. Gerstmann, M. Krzywiecki, The Journal of Physical Chemistry C (2020) 6090–6102.","chicago":"Aldahhak, Hazem, Paulina Powroźnik, Piotr Pander, Wiesław Jakubik, Fernando B. Dias, Wolf Gero Schmidt, Uwe Gerstmann, and Maciej Krzywiecki. “Toward Efficient Toxic-Gas Detectors: Exploring Molecular Interactions of Sarin and Dimethyl Methylphosphonate with Metal-Centered Phthalocyanine Structures.” <i>The Journal of Physical Chemistry C</i>, no. 124 (2020): 6090–6102. <a href=\"https://doi.org/10.1021/acs.jpcc.9b11116\">https://doi.org/10.1021/acs.jpcc.9b11116</a>.","ieee":"H. Aldahhak <i>et al.</i>, “Toward Efficient Toxic-Gas Detectors: Exploring Molecular Interactions of Sarin and Dimethyl Methylphosphonate with Metal-Centered Phthalocyanine Structures,” <i>The Journal of Physical Chemistry C</i>, no. 124, pp. 6090–6102, 2020, doi: <a href=\"https://doi.org/10.1021/acs.jpcc.9b11116\">10.1021/acs.jpcc.9b11116</a>.","apa":"Aldahhak, H., Powroźnik, P., Pander, P., Jakubik, W., Dias, F. B., Schmidt, W. G., Gerstmann, U., &#38; Krzywiecki, M. (2020). Toward Efficient Toxic-Gas Detectors: Exploring Molecular Interactions of Sarin and Dimethyl Methylphosphonate with Metal-Centered Phthalocyanine Structures. <i>The Journal of Physical Chemistry C</i>, <i>124</i>, 6090–6102. <a href=\"https://doi.org/10.1021/acs.jpcc.9b11116\">https://doi.org/10.1021/acs.jpcc.9b11116</a>"},"issue":"124","publication":"The Journal of Physical Chemistry C"},{"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":"Biktagirov, Timur, et al. “Spin Decontamination for Magnetic Dipolar Coupling Calculations: Application to High-Spin Molecules and Solid-State Spin Qubits.” <i>Physical Review Research</i>, vol. 2, no. 2, 2020, doi:<a href=\"https://doi.org/10.1103/physrevresearch.2.022024\">10.1103/physrevresearch.2.022024</a>.","ama":"Biktagirov T, Schmidt WG, Gerstmann U. Spin decontamination for magnetic dipolar coupling calculations: Application to high-spin molecules and solid-state spin qubits. <i>Physical Review Research</i>. 2020;2(2). doi:<a href=\"https://doi.org/10.1103/physrevresearch.2.022024\">10.1103/physrevresearch.2.022024</a>","bibtex":"@article{Biktagirov_Schmidt_Gerstmann_2020, title={Spin decontamination for magnetic dipolar coupling calculations: Application to high-spin molecules and solid-state spin qubits}, volume={2}, DOI={<a href=\"https://doi.org/10.1103/physrevresearch.2.022024\">10.1103/physrevresearch.2.022024</a>}, number={2}, journal={Physical Review Research}, author={Biktagirov, Timur and Schmidt, Wolf Gero and Gerstmann, Uwe}, year={2020} }","apa":"Biktagirov, T., Schmidt, W. G., &#38; Gerstmann, U. (2020). 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