[{"doi":"10.1103/physrevlett.132.076201","title":"Defect-Assisted Exciton Transfer across the Tetracene-Si(111):H Interface","volume":132,"author":[{"first_name":"Marvin","last_name":"Krenz","id":"52309","full_name":"Krenz, Marvin"},{"orcid":"0000-0002-4476-223X","last_name":"Gerstmann","id":"171","full_name":"Gerstmann, Uwe","first_name":"Uwe"},{"first_name":"Wolf Gero","id":"468","full_name":"Schmidt, Wolf Gero","orcid":"0000-0002-2717-5076","last_name":"Schmidt"}],"date_created":"2024-06-24T09:39:42Z","publisher":"American Physical Society (APS)","date_updated":"2025-12-05T13:38:22Z","intvolume":"       132","citation":{"mla":"Krenz, Marvin, et al. “Defect-Assisted Exciton Transfer across the Tetracene-Si(111):H Interface.” <i>Physical Review Letters</i>, vol. 132, no. 7, 076201, American Physical Society (APS), 2024, doi:<a href=\"https://doi.org/10.1103/physrevlett.132.076201\">10.1103/physrevlett.132.076201</a>.","bibtex":"@article{Krenz_Gerstmann_Schmidt_2024, title={Defect-Assisted Exciton Transfer across the Tetracene-Si(111):H Interface}, volume={132}, DOI={<a href=\"https://doi.org/10.1103/physrevlett.132.076201\">10.1103/physrevlett.132.076201</a>}, number={7076201}, journal={Physical Review Letters}, publisher={American Physical Society (APS)}, author={Krenz, Marvin and Gerstmann, Uwe and Schmidt, Wolf Gero}, year={2024} }","short":"M. Krenz, U. Gerstmann, W.G. Schmidt, Physical Review Letters 132 (2024).","apa":"Krenz, M., Gerstmann, U., &#38; Schmidt, W. G. (2024). Defect-Assisted Exciton Transfer across the Tetracene-Si(111):H Interface. <i>Physical Review Letters</i>, <i>132</i>(7), Article 076201. <a href=\"https://doi.org/10.1103/physrevlett.132.076201\">https://doi.org/10.1103/physrevlett.132.076201</a>","chicago":"Krenz, Marvin, Uwe Gerstmann, and Wolf Gero Schmidt. “Defect-Assisted Exciton Transfer across the Tetracene-Si(111):H Interface.” <i>Physical Review Letters</i> 132, no. 7 (2024). <a href=\"https://doi.org/10.1103/physrevlett.132.076201\">https://doi.org/10.1103/physrevlett.132.076201</a>.","ieee":"M. Krenz, U. Gerstmann, and W. G. Schmidt, “Defect-Assisted Exciton Transfer across the Tetracene-Si(111):H Interface,” <i>Physical Review Letters</i>, vol. 132, no. 7, Art. no. 076201, 2024, doi: <a href=\"https://doi.org/10.1103/physrevlett.132.076201\">10.1103/physrevlett.132.076201</a>.","ama":"Krenz M, Gerstmann U, Schmidt WG. Defect-Assisted Exciton Transfer across the Tetracene-Si(111):H Interface. <i>Physical Review Letters</i>. 2024;132(7). doi:<a href=\"https://doi.org/10.1103/physrevlett.132.076201\">10.1103/physrevlett.132.076201</a>"},"year":"2024","issue":"7","publication_identifier":{"issn":["0031-9007","1079-7114"]},"publication_status":"published","language":[{"iso":"eng"}],"article_number":"076201","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"790"},{"_id":"429"},{"_id":"27"},{"_id":"230"},{"_id":"35"}],"user_id":"16199","_id":"54865","project":[{"_id":"53","name":"TRR 142: TRR 142 - Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen"},{"_id":"54","name":"TRR 142 - A: TRR 142 - Project Area A"},{"_id":"55","name":"TRR 142 - B: TRR 142 - Project Area B"},{"name":"TRR 142 - B07: TRR 142 - Polaronen-Einfluss auf die optischen Eigenschaften von Lithiumniobat (B07*)","_id":"168"},{"name":"TRR 142 - A11: TRR 142 - Subproject A11","_id":"166"},{"_id":"52","name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"status":"public","publication":"Physical Review Letters","type":"journal_article"},{"publication":"Applied Physics A","type":"journal_article","status":"public","abstract":[{"text":"<jats:title>Abstract</jats:title><jats:p>Polarons influence decisively the performance of lithium niobate for optical applications. In this work, the formation of (defect) bound polarons in lithium niobate is studied by ab initio molecular dynamics. The calculations show a broad scatter of polaron formation times. Rising temperature increases the share of trajectories with long formation times, which leads to an overall increase of the average formation time with temperature. However, even at elevated temperatures, the average formation time does not exceed the value of 100 femtoseconds, i.e., a value close to the time measured for free, i.e., self-trapped polarons. Analyzing individual trajectories, it is found that the time required for the structural relaxation of the polarons depends sensitively on the excitation of the lithium niobate high-frequency phonon modes and their phase relation.</jats:p>","lang":"eng"}],"department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"230"},{"_id":"429"},{"_id":"35"},{"_id":"790"}],"user_id":"171","_id":"37711","project":[{"_id":"52","name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing"},{"_id":"53","name":"TRR 142: TRR 142"},{"name":"TRR 142 - B: TRR 142 - Project Area B","_id":"55"},{"name":"TRR 142 - A: TRR 142 - Project Area A","_id":"54"},{"name":"TRR 142 - A11: TRR 142 - Subproject A11","_id":"166"},{"_id":"168","name":"TRR 142 - B07: TRR 142 - Subproject B07"}],"language":[{"iso":"eng"}],"keyword":["General Materials Science","General Chemistry"],"publication_identifier":{"issn":["0947-8396","1432-0630"]},"publication_status":"published","intvolume":"       128","page":"480","citation":{"mla":"Krenz, Marvin, et al. “Bound Polaron Formation in Lithium Niobate from Ab Initio Molecular Dynamics.” <i>Applied Physics A</i>, vol. 128, Springer Science and Business Media LLC, 2022, p. 480, doi:<a href=\"https://doi.org/10.1007/s00339-022-05577-y\">10.1007/s00339-022-05577-y</a>.","bibtex":"@article{Krenz_Gerstmann_Schmidt_2022, title={Bound polaron formation in lithium niobate from ab initio molecular dynamics}, volume={128}, DOI={<a href=\"https://doi.org/10.1007/s00339-022-05577-y\">10.1007/s00339-022-05577-y</a>}, journal={Applied Physics A}, publisher={Springer Science and Business Media LLC}, author={Krenz, Marvin and Gerstmann, Uwe and Schmidt, Wolf Gero}, year={2022}, pages={480} }","short":"M. Krenz, U. Gerstmann, W.G. Schmidt, Applied Physics A 128 (2022) 480.","apa":"Krenz, M., Gerstmann, U., &#38; Schmidt, W. G. (2022). Bound polaron formation in lithium niobate from ab initio molecular dynamics. <i>Applied Physics A</i>, <i>128</i>, 480. <a href=\"https://doi.org/10.1007/s00339-022-05577-y\">https://doi.org/10.1007/s00339-022-05577-y</a>","chicago":"Krenz, Marvin, Uwe Gerstmann, and Wolf Gero Schmidt. “Bound Polaron Formation in Lithium Niobate from Ab Initio Molecular Dynamics.” <i>Applied Physics A</i> 128 (2022): 480. <a href=\"https://doi.org/10.1007/s00339-022-05577-y\">https://doi.org/10.1007/s00339-022-05577-y</a>.","ieee":"M. Krenz, U. Gerstmann, and W. G. Schmidt, “Bound polaron formation in lithium niobate from ab initio molecular dynamics,” <i>Applied Physics A</i>, vol. 128, p. 480, 2022, doi: <a href=\"https://doi.org/10.1007/s00339-022-05577-y\">10.1007/s00339-022-05577-y</a>.","ama":"Krenz M, Gerstmann U, Schmidt WG. Bound polaron formation in lithium niobate from ab initio molecular dynamics. <i>Applied Physics A</i>. 2022;128:480. doi:<a href=\"https://doi.org/10.1007/s00339-022-05577-y\">10.1007/s00339-022-05577-y</a>"},"year":"2022","volume":128,"author":[{"last_name":"Krenz","full_name":"Krenz, Marvin","id":"52309","first_name":"Marvin"},{"first_name":"Uwe","orcid":"0000-0002-4476-223X","last_name":"Gerstmann","full_name":"Gerstmann, Uwe","id":"171"},{"first_name":"Wolf Gero","orcid":"0000-0002-2717-5076","last_name":"Schmidt","full_name":"Schmidt, Wolf Gero","id":"468"}],"date_created":"2023-01-20T11:18:44Z","publisher":"Springer Science and Business Media LLC","date_updated":"2023-04-21T11:06:37Z","doi":"10.1007/s00339-022-05577-y","title":"Bound polaron formation in lithium niobate from ab initio molecular dynamics"},{"date_updated":"2023-04-20T16:06:43Z","date_created":"2020-09-24T11:10:47Z","author":[{"last_name":"Krenz","full_name":"Krenz, Marvin","id":"52309","first_name":"Marvin"},{"id":"171","full_name":"Gerstmann, Uwe","last_name":"Gerstmann","orcid":"0000-0002-4476-223X","first_name":"Uwe"},{"first_name":"Wolf Gero","orcid":"0000-0002-2717-5076","last_name":"Schmidt","full_name":"Schmidt, Wolf Gero","id":"468"}],"title":"Photochemical Ring Opening of Oxirane Modeled by Constrained Density Functional Theory","doi":"10.1021/acsomega.0c03483","publication_status":"published","publication_identifier":{"issn":["2470-1343","2470-1343"]},"year":"2020","citation":{"apa":"Krenz, M., Gerstmann, U., &#38; Schmidt, W. G. (2020). Photochemical Ring Opening of Oxirane Modeled by Constrained Density Functional Theory. <i>ACS Omega</i>, 24057–24063. <a href=\"https://doi.org/10.1021/acsomega.0c03483\">https://doi.org/10.1021/acsomega.0c03483</a>","bibtex":"@article{Krenz_Gerstmann_Schmidt_2020, title={Photochemical Ring Opening of Oxirane Modeled by Constrained Density Functional Theory}, DOI={<a href=\"https://doi.org/10.1021/acsomega.0c03483\">10.1021/acsomega.0c03483</a>}, journal={ACS Omega}, author={Krenz, Marvin and Gerstmann, Uwe and Schmidt, Wolf Gero}, year={2020}, pages={24057–24063} }","short":"M. Krenz, U. Gerstmann, W.G. Schmidt, ACS Omega (2020) 24057–24063.","mla":"Krenz, Marvin, et al. “Photochemical Ring Opening of Oxirane Modeled by Constrained Density Functional Theory.” <i>ACS Omega</i>, 2020, pp. 24057–63, doi:<a href=\"https://doi.org/10.1021/acsomega.0c03483\">10.1021/acsomega.0c03483</a>.","ama":"Krenz M, Gerstmann U, Schmidt WG. Photochemical Ring Opening of Oxirane Modeled by Constrained Density Functional Theory. <i>ACS Omega</i>. Published online 2020:24057-24063. doi:<a href=\"https://doi.org/10.1021/acsomega.0c03483\">10.1021/acsomega.0c03483</a>","chicago":"Krenz, Marvin, Uwe Gerstmann, and Wolf Gero Schmidt. “Photochemical Ring Opening of Oxirane Modeled by Constrained Density Functional Theory.” <i>ACS Omega</i>, 2020, 24057–63. <a href=\"https://doi.org/10.1021/acsomega.0c03483\">https://doi.org/10.1021/acsomega.0c03483</a>.","ieee":"M. Krenz, U. Gerstmann, and W. G. Schmidt, “Photochemical Ring Opening of Oxirane Modeled by Constrained Density Functional Theory,” <i>ACS Omega</i>, pp. 24057–24063, 2020, doi: <a href=\"https://doi.org/10.1021/acsomega.0c03483\">10.1021/acsomega.0c03483</a>."},"page":"24057-24063","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"}],"_id":"19654","user_id":"16199","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"230"},{"_id":"35"},{"_id":"790"}],"language":[{"iso":"eng"}],"type":"journal_article","publication":"ACS Omega","status":"public"},{"publication":"Physical Review B","language":[{"iso":"eng"}],"issue":"15","year":"2019","date_created":"2022-02-03T15:26:06Z","publisher":"American Physical Society (APS)","title":"Excited-state band mapping and momentum-resolved ultrafast population dynamics in In/Si(111) nanowires investigated with XUV-based time- and angle-resolved photoemission spectroscopy","type":"journal_article","status":"public","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"230"},{"_id":"35"}],"user_id":"16199","_id":"29746","project":[{"name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"},{"_id":"53","name":"TRR 142: TRR 142"},{"_id":"55","name":"TRR 142 - B: TRR 142 - Project Area B"},{"_id":"69","name":"TRR 142 - B4: TRR 142 - Subproject B4"}],"article_number":"155107","publication_identifier":{"issn":["2469-9950","2469-9969"]},"publication_status":"published","intvolume":"        99","citation":{"ama":"Nicholson CW, Puppin M, Lücke A, et al. Excited-state band mapping and momentum-resolved ultrafast population dynamics in In/Si(111) nanowires investigated with XUV-based time- and angle-resolved photoemission spectroscopy. <i>Physical Review B</i>. 2019;99(15). doi:<a href=\"https://doi.org/10.1103/physrevb.99.155107\">10.1103/physrevb.99.155107</a>","chicago":"Nicholson, C. W., M. Puppin, A. Lücke, Uwe Gerstmann, Marvin Krenz, Wolf Gero Schmidt, L. Rettig, R. Ernstorfer, and M. Wolf. “Excited-State Band Mapping and Momentum-Resolved Ultrafast Population Dynamics in In/Si(111) Nanowires Investigated with XUV-Based Time- and Angle-Resolved Photoemission Spectroscopy.” <i>Physical Review B</i> 99, no. 15 (2019). <a href=\"https://doi.org/10.1103/physrevb.99.155107\">https://doi.org/10.1103/physrevb.99.155107</a>.","ieee":"C. W. Nicholson <i>et al.</i>, “Excited-state band mapping and momentum-resolved ultrafast population dynamics in In/Si(111) nanowires investigated with XUV-based time- and angle-resolved photoemission spectroscopy,” <i>Physical Review B</i>, vol. 99, no. 15, Art. no. 155107, 2019, doi: <a href=\"https://doi.org/10.1103/physrevb.99.155107\">10.1103/physrevb.99.155107</a>.","bibtex":"@article{Nicholson_Puppin_Lücke_Gerstmann_Krenz_Schmidt_Rettig_Ernstorfer_Wolf_2019, title={Excited-state band mapping and momentum-resolved ultrafast population dynamics in In/Si(111) nanowires investigated with XUV-based time- and angle-resolved photoemission spectroscopy}, volume={99}, DOI={<a href=\"https://doi.org/10.1103/physrevb.99.155107\">10.1103/physrevb.99.155107</a>}, number={15155107}, journal={Physical Review B}, publisher={American Physical Society (APS)}, author={Nicholson, C. W. and Puppin, M. and Lücke, A. and Gerstmann, Uwe and Krenz, Marvin and Schmidt, Wolf Gero and Rettig, L. and Ernstorfer, R. and Wolf, M.}, year={2019} }","short":"C.W. Nicholson, M. Puppin, A. Lücke, U. Gerstmann, M. Krenz, W.G. Schmidt, L. Rettig, R. Ernstorfer, M. Wolf, Physical Review B 99 (2019).","mla":"Nicholson, C. W., et al. “Excited-State Band Mapping and Momentum-Resolved Ultrafast Population Dynamics in In/Si(111) Nanowires Investigated with XUV-Based Time- and Angle-Resolved Photoemission Spectroscopy.” <i>Physical Review B</i>, vol. 99, no. 15, 155107, American Physical Society (APS), 2019, doi:<a href=\"https://doi.org/10.1103/physrevb.99.155107\">10.1103/physrevb.99.155107</a>.","apa":"Nicholson, C. W., Puppin, M., Lücke, A., Gerstmann, U., Krenz, M., Schmidt, W. G., Rettig, L., Ernstorfer, R., &#38; Wolf, M. (2019). Excited-state band mapping and momentum-resolved ultrafast population dynamics in In/Si(111) nanowires investigated with XUV-based time- and angle-resolved photoemission spectroscopy. <i>Physical Review B</i>, <i>99</i>(15), Article 155107. <a href=\"https://doi.org/10.1103/physrevb.99.155107\">https://doi.org/10.1103/physrevb.99.155107</a>"},"volume":99,"author":[{"first_name":"C. W.","last_name":"Nicholson","full_name":"Nicholson, C. W."},{"last_name":"Puppin","full_name":"Puppin, M.","first_name":"M."},{"first_name":"A.","last_name":"Lücke","full_name":"Lücke, A."},{"full_name":"Gerstmann, Uwe","id":"171","orcid":"0000-0002-4476-223X","last_name":"Gerstmann","first_name":"Uwe"},{"first_name":"Marvin","full_name":"Krenz, Marvin","id":"52309","last_name":"Krenz"},{"full_name":"Schmidt, Wolf Gero","id":"468","last_name":"Schmidt","orcid":"0000-0002-2717-5076","first_name":"Wolf Gero"},{"first_name":"L.","full_name":"Rettig, L.","last_name":"Rettig"},{"first_name":"R.","full_name":"Ernstorfer, R.","last_name":"Ernstorfer"},{"last_name":"Wolf","full_name":"Wolf, M.","first_name":"M."}],"date_updated":"2023-04-20T14:22:46Z","doi":"10.1103/physrevb.99.155107"},{"project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"_id":"13411","user_id":"16199","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"27"},{"_id":"27"}],"language":[{"iso":"eng"}],"funded_apc":"1","type":"journal_article","publication":"Physical Review B","status":"public","date_updated":"2025-12-05T10:17:55Z","date_created":"2019-09-20T11:30:00Z","author":[{"last_name":"Halbig","full_name":"Halbig, B.","first_name":"B."},{"first_name":"M.","full_name":"Liebhaber, M.","last_name":"Liebhaber"},{"first_name":"U.","last_name":"Bass","full_name":"Bass, U."},{"full_name":"Geurts, J.","last_name":"Geurts","first_name":"J."},{"first_name":"E.","last_name":"Speiser","full_name":"Speiser, E."},{"full_name":"Räthel, J.","last_name":"Räthel","first_name":"J."},{"full_name":"Chandola, S.","last_name":"Chandola","first_name":"S."},{"full_name":"Esser, N.","last_name":"Esser","first_name":"N."},{"first_name":"Marvin","last_name":"Krenz","id":"52309","full_name":"Krenz, Marvin"},{"last_name":"Neufeld","full_name":"Neufeld, Sergej","id":"23261","first_name":"Sergej"},{"orcid":"0000-0002-2717-5076","last_name":"Schmidt","id":"468","full_name":"Schmidt, Wolf Gero","first_name":"Wolf Gero"},{"last_name":"Sanna","full_name":"Sanna, S.","first_name":"S."}],"volume":97,"title":"Vibrational properties of the Au-(3×3)/Si(111) surface reconstruction","doi":"10.1103/physrevb.97.035412","publication_status":"published","publication_identifier":{"issn":["2469-9950","2469-9969"]},"issue":"3","year":"2018","citation":{"ama":"Halbig B, Liebhaber M, Bass U, et al. Vibrational properties of the Au-(3×3)/Si(111) surface reconstruction. <i>Physical Review B</i>. 2018;97(3). doi:<a href=\"https://doi.org/10.1103/physrevb.97.035412\">10.1103/physrevb.97.035412</a>","chicago":"Halbig, B., M. Liebhaber, U. Bass, J. Geurts, E. Speiser, J. Räthel, S. Chandola, et al. “Vibrational Properties of the Au-(3×3)/Si(111) Surface Reconstruction.” <i>Physical Review B</i> 97, no. 3 (2018). <a href=\"https://doi.org/10.1103/physrevb.97.035412\">https://doi.org/10.1103/physrevb.97.035412</a>.","ieee":"B. Halbig <i>et al.</i>, “Vibrational properties of the Au-(3×3)/Si(111) surface reconstruction,” <i>Physical Review B</i>, vol. 97, no. 3, 2018, doi: <a href=\"https://doi.org/10.1103/physrevb.97.035412\">10.1103/physrevb.97.035412</a>.","bibtex":"@article{Halbig_Liebhaber_Bass_Geurts_Speiser_Räthel_Chandola_Esser_Krenz_Neufeld_et al._2018, title={Vibrational properties of the Au-(3×3)/Si(111) surface reconstruction}, volume={97}, DOI={<a href=\"https://doi.org/10.1103/physrevb.97.035412\">10.1103/physrevb.97.035412</a>}, number={3}, journal={Physical Review B}, author={Halbig, B. and Liebhaber, M. and Bass, U. and Geurts, J. and Speiser, E. and Räthel, J. and Chandola, S. and Esser, N. and Krenz, Marvin and Neufeld, Sergej and et al.}, year={2018} }","mla":"Halbig, B., et al. “Vibrational Properties of the Au-(3×3)/Si(111) Surface Reconstruction.” <i>Physical Review B</i>, vol. 97, no. 3, 2018, doi:<a href=\"https://doi.org/10.1103/physrevb.97.035412\">10.1103/physrevb.97.035412</a>.","short":"B. Halbig, M. Liebhaber, U. Bass, J. Geurts, E. Speiser, J. Räthel, S. Chandola, N. Esser, M. Krenz, S. Neufeld, W.G. Schmidt, S. Sanna, Physical Review B 97 (2018).","apa":"Halbig, B., Liebhaber, M., Bass, U., Geurts, J., Speiser, E., Räthel, J., Chandola, S., Esser, N., Krenz, M., Neufeld, S., Schmidt, W. G., &#38; Sanna, S. (2018). Vibrational properties of the Au-(3×3)/Si(111) surface reconstruction. <i>Physical Review B</i>, <i>97</i>(3). <a href=\"https://doi.org/10.1103/physrevb.97.035412\">https://doi.org/10.1103/physrevb.97.035412</a>"},"intvolume":"        97"}]