[{"type":"journal_article","department":[{"_id":"15"},{"_id":"230"},{"_id":"289"},{"_id":"623"}],"date_created":"2025-10-06T05:42:21Z","abstract":[{"lang":"eng","text":"AbstractMetasurface holography offers a powerful approach for manipulating wavefronts at the nano and micro scale. Extensive research has been conducted to enhance the multiplexing capacity for diverse wavefronts. However, the independence of multiplexed channels is fundamentally restricted in techniques using single‐layer metasurfaces, resulting in unavoidable crosstalk and the need for post‐filtering of the output wavefronts. Here, a universal wavefront multiplexing concept is presented based on non‐injective transformation. By employing joint optimization on two metasurfaces, different channels can be independently designed without any constraints on the output wavefronts. To validate this approach, ultra‐compact orbital angular momentum (OAM) sorters are designed. In these experiments, the output beams from different channels can be independently mapped to 2D positions with high fineness. In another application of wavefront‐multiplexed holography, 10‐channel multiplexing is experimentally achieved with minimal crosstalk and without the need for post‐processing. These results demonstrate the independence between channels enabled by the non‐injective transformation in the method. The precise wavefront control and high multiplexing capacity underscore its potential for scalable wavefront manipulation devices."}],"publication":"Advanced Materials","doi":"10.1002/adma.202511823","main_file_link":[{"open_access":"1","url":"https://advanced.onlinelibrary.wiley.com/doi/10.1002/adma.202511823"}],"article_number":"e11823","language":[{"iso":"eng"}],"date_updated":"2026-03-10T08:32:37Z","publication_status":"published","intvolume":" 38","article_type":"original","year":"2026","title":"Independent Wavefront Multiplexing with Metasurfaces via Non‐Injective Transformation","publication_identifier":{"issn":["0935-9648","1521-4095"]},"author":[{"first_name":"Xiao","last_name":"Jin","full_name":"Jin, Xiao"},{"full_name":"Zentgraf, Thomas","last_name":"Zentgraf","first_name":"Thomas","orcid":"0000-0002-8662-1101","id":"30525"}],"oa":"1","quality_controlled":"1","project":[{"_id":"53","name":"TRR 142: Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen"},{"name":"TRR 142 - Project Area A","_id":"54"},{"_id":"55","name":"TRR 142 - Project Area B"},{"_id":"65","name":"TRR 142; TP A08: Nichtlineare Kopplung von Zwischenschicht-Exzitonen in van der Waals-Heterostrukturen an plasmonische und dielektrische Nanokavitäten"},{"name":"TRR 142; TP B09: Effiziente Erzeugung mit maßgeschneiderter optischer Phaselage der zweiten Harmonischen mittels Quasi-gebundener Zustände in GaAs Metaoberflächen","_id":"170"}],"citation":{"short":"X. Jin, T. Zentgraf, Advanced Materials 38 (2026).","chicago":"Jin, Xiao, and Thomas Zentgraf. “Independent Wavefront Multiplexing with Metasurfaces via Non‐Injective Transformation.” Advanced Materials 38 (2026). https://doi.org/10.1002/adma.202511823.","apa":"Jin, X., & Zentgraf, T. (2026). Independent Wavefront Multiplexing with Metasurfaces via Non‐Injective Transformation. Advanced Materials, 38, Article e11823. https://doi.org/10.1002/adma.202511823","ieee":"X. Jin and T. Zentgraf, “Independent Wavefront Multiplexing with Metasurfaces via Non‐Injective Transformation,” Advanced Materials, vol. 38, Art. no. e11823, 2026, doi: 10.1002/adma.202511823.","ama":"Jin X, Zentgraf T. Independent Wavefront Multiplexing with Metasurfaces via Non‐Injective Transformation. Advanced Materials. 2026;38. doi:10.1002/adma.202511823","bibtex":"@article{Jin_Zentgraf_2026, title={Independent Wavefront Multiplexing with Metasurfaces via Non‐Injective Transformation}, volume={38}, DOI={10.1002/adma.202511823}, number={e11823}, journal={Advanced Materials}, publisher={Wiley}, author={Jin, Xiao and Zentgraf, Thomas}, year={2026} }","mla":"Jin, Xiao, and Thomas Zentgraf. “Independent Wavefront Multiplexing with Metasurfaces via Non‐Injective Transformation.” Advanced Materials, vol. 38, e11823, Wiley, 2026, doi:10.1002/adma.202511823."},"user_id":"30525","volume":38,"_id":"61523","publisher":"Wiley","status":"public"},{"publication":"Optics Express","issue":"16","abstract":[{"text":"Efficient detection of near-infrared light at telecommunication wavelengths remains a central challenge for GaAs-based photonic and optoelectronic devices due to the absence of linear absorption below the bandgap. Here, we demonstrate a hybrid nonlinear optoelectronic device that enhances the detection efficiency of a (001)-oriented GaAs PIN photodiode under telecommunication-wavelength illumination, where absorption is intrinsically limited to two-photon absorption (2PA). Our approach relies on the integration of a transferred, nanopatterned 385 nm-thick (111)-oriented GaAs nanofilm acting as an on-chip nonlinear frequency-conversion layer. Elliptical GaAs nanoresonators are employed to enhance second-harmonic generation (SHG) resonantly, converting incident 1550 nm radiation into above-bandgap photons efficiently absorbed by the underlying diode. Spatially resolved current–voltage measurements reveal a pronounced enhancement of the detector response in regions covered by the nanoantennas. The device exhibits a low dark current, while the metasurface-covered regions show the largest current response under 1560 nm excitation compared to the bare GaAs(100) diode and the unstructured GaAs(111) film. These results establish a direct functional link between dielectric metasurface–based nonlinear frequency conversion and electrical photodetection, providing a viable route toward integrated sub-bandgap detection schemes.","lang":"eng"}],"date_created":"2026-08-06T12:15:59Z","file":[{"success":1,"content_type":"application/pdf","file_id":"66675","access_level":"closed","file_size":2894783,"file_name":"oe-34-16-30335.pdf","date_updated":"2026-08-06T12:18:22Z","relation":"main_file","date_created":"2026-08-06T12:18:22Z","creator":"cedrikm"}],"department":[{"_id":"15"}],"type":"journal_article","author":[{"first_name":"Vladimir","last_name":"Spedt","full_name":"Spedt, Vladimir"},{"full_name":"Meier, Falco","first_name":"Falco","last_name":"Meier"},{"last_name":"Geromel","first_name":"René","full_name":"Geromel, René"},{"full_name":"Mahler, Pascal","first_name":"Pascal","last_name":"Mahler"},{"id":"42539","full_name":"Henksmeier, Tobias","last_name":"Henksmeier","first_name":"Tobias"},{"id":"37763","full_name":"Reuter, Dirk","last_name":"Reuter","first_name":"Dirk"},{"id":"30525","orcid":"0000-0002-8662-1101","first_name":"Thomas","last_name":"Zentgraf","full_name":"Zentgraf, Thomas"},{"id":"20798","first_name":"Cedrik","orcid":"https://orcid.org/0000-0002-3787-3572","last_name":"Meier","full_name":"Meier, Cedrik"}],"publication_identifier":{"issn":["1094-4087"]},"title":"Hybrid GaAs (111)/GaAs (100) PIN photodiodes for metasurface-assisted nonlinear upconversion detection","year":"2026","article_type":"original","intvolume":" 34","publication_status":"published","date_updated":"2026-08-06T12:18:58Z","language":[{"iso":"eng"}],"article_number":"30335","doi":"10.1364/oe.601288","citation":{"mla":"Spedt, Vladimir, et al. “Hybrid GaAs (111)/GaAs (100) PIN Photodiodes for Metasurface-Assisted Nonlinear Upconversion Detection.” Optics Express, vol. 34, no. 16, 30335, Optica Publishing Group, 2026, doi:10.1364/oe.601288.","ama":"Spedt V, Meier F, Geromel R, et al. Hybrid GaAs (111)/GaAs (100) PIN photodiodes for metasurface-assisted nonlinear upconversion detection. Optics Express. 2026;34(16). doi:10.1364/oe.601288","bibtex":"@article{Spedt_Meier_Geromel_Mahler_Henksmeier_Reuter_Zentgraf_Meier_2026, title={Hybrid GaAs (111)/GaAs (100) PIN photodiodes for metasurface-assisted nonlinear upconversion detection}, volume={34}, DOI={10.1364/oe.601288}, number={1630335}, journal={Optics Express}, publisher={Optica Publishing Group}, author={Spedt, Vladimir and Meier, Falco and Geromel, René and Mahler, Pascal and Henksmeier, Tobias and Reuter, Dirk and Zentgraf, Thomas and Meier, Cedrik}, year={2026} }","apa":"Spedt, V., Meier, F., Geromel, R., Mahler, P., Henksmeier, T., Reuter, D., Zentgraf, T., & Meier, C. (2026). Hybrid GaAs (111)/GaAs (100) PIN photodiodes for metasurface-assisted nonlinear upconversion detection. Optics Express, 34(16), Article 30335. https://doi.org/10.1364/oe.601288","ieee":"V. Spedt et al., “Hybrid GaAs (111)/GaAs (100) PIN photodiodes for metasurface-assisted nonlinear upconversion detection,” Optics Express, vol. 34, no. 16, Art. no. 30335, 2026, doi: 10.1364/oe.601288.","chicago":"Spedt, Vladimir, Falco Meier, René Geromel, Pascal Mahler, Tobias Henksmeier, Dirk Reuter, Thomas Zentgraf, and Cedrik Meier. “Hybrid GaAs (111)/GaAs (100) PIN Photodiodes for Metasurface-Assisted Nonlinear Upconversion Detection.” Optics Express 34, no. 16 (2026). https://doi.org/10.1364/oe.601288.","short":"V. Spedt, F. Meier, R. Geromel, P. Mahler, T. Henksmeier, D. Reuter, T. Zentgraf, C. Meier, Optics Express 34 (2026)."},"file_date_updated":"2026-08-06T12:18:22Z","project":[{"_id":"55","name":"TRR 142 - Project Area B"},{"_id":"170","name":"TRR 142; TP B09: Effiziente Erzeugung mit maßgeschneiderter optischer Phaselage der zweiten Harmonischen mittels Quasi-gebundener Zustände in GaAs Metaoberflächen"}],"quality_controlled":"1","status":"public","has_accepted_license":"1","publisher":"Optica Publishing Group","_id":"66674","volume":34,"user_id":"20798","ddc":["530"]},{"publication_identifier":{"issn":["2196-7350","2196-7350"]},"author":[{"first_name":"Jonathan","last_name":"Diederich","full_name":"Diederich, Jonathan"},{"full_name":"Paszuk, Agnieszka","first_name":"Agnieszka","last_name":"Paszuk"},{"id":"79462","full_name":"Ruiz Alvarado, Isaac Azahel","first_name":"Isaac Azahel","last_name":"Ruiz Alvarado","orcid":"0000-0002-4710-1170"},{"full_name":"Krenz, Marvin","last_name":"Krenz","first_name":"Marvin"},{"last_name":"Zare Pour","first_name":"Mohammad Amin","full_name":"Zare Pour, Mohammad Amin"},{"first_name":"Diwakar Suresh","last_name":"Babu","full_name":"Babu, Diwakar Suresh"},{"last_name":"Velazquez Rojas","first_name":"Jennifer","full_name":"Velazquez Rojas, Jennifer"},{"first_name":"Christian","last_name":"Höhn","full_name":"Höhn, Christian"},{"full_name":"Gao, Yuying","last_name":"Gao","first_name":"Yuying"},{"full_name":"Schwarzburg, Klaus","last_name":"Schwarzburg","first_name":"Klaus"},{"last_name":"Ostheimer","first_name":"David","full_name":"Ostheimer, David"},{"full_name":"Eichberger, Rainer","first_name":"Rainer","last_name":"Eichberger"},{"id":"468","full_name":"Schmidt, Wolf Gero","orcid":"0000-0002-2717-5076","first_name":"Wolf Gero","last_name":"Schmidt"},{"first_name":"Thomas","last_name":"Hannappel","full_name":"Hannappel, Thomas"},{"first_name":"Roel van","last_name":"de Krol","full_name":"de Krol, Roel van"},{"full_name":"Friedrich, Dennis","first_name":"Dennis","last_name":"Friedrich"}],"year":"2025","title":"Ultrafast Electron Dynamics at the Water‐Modified InP(100) Surface","intvolume":" 12","date_updated":"2025-09-18T11:06:59Z","publication_status":"published","language":[{"iso":"eng"}],"article_number":"e00463","doi":"10.1002/admi.202500463","issue":"16","publication":"Advanced Materials Interfaces","abstract":[{"lang":"eng","text":"AbstractThe interaction of water molecules with semiconductor surfaces is relevant to various optoelectronic phenomena and physicochemical processes. Despite advances in fundamental understanding of water‐exposed surfaces, the detailed time‐ and energy‐resolved behavior of excited electrons remains largely unexplored. Here, the effects of water exposure on the near‐surface electron dynamics of phosphorus‐terminated p(2×2)/c(4×2)‐reconstructed indium phosphide (100) (P‐rich InP) are studied experimentally and matched to theoretical calculations. The P‐rich InP surface, consisting of H‐passivated P‐dimers, serves as a model for other P‐containing III‐V semiconductors such as gallium phosphide (GaP) or aluminum indium phosphide (AlInP). Electron dynamics near the surface are probed with femtosecond resolution using time‐resolved two‐photon photoemission (tr‐2PPE), a pump‐probe spectroscopic technique. Pulsed water exposure preserves electronic states and significantly increases lifetimes at the conduction band minimum (CBM). Density‐functional theory (DFT) calculations attribute these findings to suppression of surface vibrational modes in the top P‐layer by water exposure, reducing electronic transition probabilities of near‐band‐gap surface states. The results suggest that many near‐surface state lifetimes reported in ultra‐high vacuum may change significantly upon electrolyte exposure. These states may thus contribute more strongly to surface reactions than traditionally assumed. Demonstrating this effect for the technologically relevant P‐rich InP surface opens new opportunities in this underexplored area of surface electrochemistry."}],"date_created":"2025-09-18T11:03:16Z","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"27"},{"_id":"429"}],"type":"journal_article","status":"public","publisher":"Wiley","_id":"61351","volume":12,"user_id":"16199","citation":{"mla":"Diederich, Jonathan, et al. “Ultrafast Electron Dynamics at the Water‐Modified InP(100) Surface.” Advanced Materials Interfaces, vol. 12, no. 16, e00463, Wiley, 2025, doi:10.1002/admi.202500463.","ama":"Diederich J, Paszuk A, Ruiz Alvarado IA, et al. Ultrafast Electron Dynamics at the Water‐Modified InP(100) Surface. Advanced Materials Interfaces. 2025;12(16). doi:10.1002/admi.202500463","bibtex":"@article{Diederich_Paszuk_Ruiz Alvarado_Krenz_Zare Pour_Babu_Velazquez Rojas_Höhn_Gao_Schwarzburg_et al._2025, title={Ultrafast Electron Dynamics at the Water‐Modified InP(100) Surface}, volume={12}, DOI={10.1002/admi.202500463}, number={16e00463}, journal={Advanced Materials Interfaces}, publisher={Wiley}, author={Diederich, Jonathan and Paszuk, Agnieszka and Ruiz Alvarado, Isaac Azahel and Krenz, Marvin and Zare Pour, Mohammad Amin and Babu, Diwakar Suresh and Velazquez Rojas, Jennifer and Höhn, Christian and Gao, Yuying and Schwarzburg, Klaus and et al.}, year={2025} }","apa":"Diederich, J., Paszuk, A., Ruiz Alvarado, I. A., Krenz, M., Zare Pour, M. A., Babu, D. S., Velazquez Rojas, J., Höhn, C., Gao, Y., Schwarzburg, K., Ostheimer, D., Eichberger, R., Schmidt, W. G., Hannappel, T., de Krol, R. van, & Friedrich, D. (2025). Ultrafast Electron Dynamics at the Water‐Modified InP(100) Surface. Advanced Materials Interfaces, 12(16), Article e00463. https://doi.org/10.1002/admi.202500463","ieee":"J. Diederich et al., “Ultrafast Electron Dynamics at the Water‐Modified InP(100) Surface,” Advanced Materials Interfaces, vol. 12, no. 16, Art. no. e00463, 2025, doi: 10.1002/admi.202500463.","short":"J. Diederich, A. Paszuk, I.A. Ruiz Alvarado, M. Krenz, M.A. Zare Pour, D.S. Babu, J. Velazquez Rojas, C. Höhn, Y. Gao, K. Schwarzburg, D. Ostheimer, R. Eichberger, W.G. Schmidt, T. Hannappel, R. van de Krol, D. Friedrich, Advanced Materials Interfaces 12 (2025).","chicago":"Diederich, Jonathan, Agnieszka Paszuk, Isaac Azahel Ruiz Alvarado, Marvin Krenz, Mohammad Amin Zare Pour, Diwakar Suresh Babu, Jennifer Velazquez Rojas, et al. “Ultrafast Electron Dynamics at the Water‐Modified InP(100) Surface.” Advanced Materials Interfaces 12, no. 16 (2025). https://doi.org/10.1002/admi.202500463."},"project":[{"name":"TRR 142: Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen","_id":"53"},{"name":"TRR 142 - Project Area B","_id":"55"},{"_id":"168","name":"TRR 142 - Polaronen-Einfluss auf die optischen Eigenschaften von Lithiumniobat (B07*)"},{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}]},{"citation":{"mla":"Biktagirov, Timur, et al. “Topological Defects in Semiconducting Carbon Nanotubes as Triplet Exciton Traps and Single-Photon Emitters.” Nanoscale, vol. 17, no. 11, Royal Society of Chemistry (RSC), 2025, pp. 6884–91, doi:10.1039/d4nr03904a.","ama":"Biktagirov T, Gerstmann U, Schmidt WG. Topological defects in semiconducting carbon nanotubes as triplet exciton traps and single-photon emitters. Nanoscale. 2025;17(11):6884-6891. doi:10.1039/d4nr03904a","bibtex":"@article{Biktagirov_Gerstmann_Schmidt_2025, title={Topological defects in semiconducting carbon nanotubes as triplet exciton traps and single-photon emitters}, volume={17}, DOI={10.1039/d4nr03904a}, number={11}, journal={Nanoscale}, publisher={Royal Society of Chemistry (RSC)}, author={Biktagirov, Timur and Gerstmann, Uwe and Schmidt, Wolf Gero}, year={2025}, pages={6884–6891} }","apa":"Biktagirov, T., Gerstmann, U., & Schmidt, W. G. (2025). Topological defects in semiconducting carbon nanotubes as triplet exciton traps and single-photon emitters. Nanoscale, 17(11), 6884–6891. https://doi.org/10.1039/d4nr03904a","ieee":"T. Biktagirov, U. Gerstmann, and W. G. Schmidt, “Topological defects in semiconducting carbon nanotubes as triplet exciton traps and single-photon emitters,” Nanoscale, vol. 17, no. 11, pp. 6884–6891, 2025, doi: 10.1039/d4nr03904a.","chicago":"Biktagirov, Timur, Uwe Gerstmann, and Wolf Gero Schmidt. “Topological Defects in Semiconducting Carbon Nanotubes as Triplet Exciton Traps and Single-Photon Emitters.” Nanoscale 17, no. 11 (2025): 6884–91. https://doi.org/10.1039/d4nr03904a.","short":"T. Biktagirov, U. Gerstmann, W.G. Schmidt, Nanoscale 17 (2025) 6884–6891."},"project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"},{"name":"TRR 142: Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen","_id":"53"},{"name":"TRR 142 - Project Area A","_id":"54"},{"_id":"55","name":"TRR 142 - Project Area B"},{"name":"TRR 142 - Polaronen-Einfluss auf die optischen Eigenschaften von Lithiumniobat (B07*)","_id":"168"},{"_id":"166","name":"TRR 142 - Subproject A11"}],"_id":"61356","publisher":"Royal Society of Chemistry (RSC)","page":"6884-6891","volume":17,"user_id":"16199","status":"public","date_created":"2025-09-18T11:23:25Z","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"790"},{"_id":"35"},{"_id":"230"},{"_id":"27"},{"_id":"429"}],"type":"journal_article","publication":"Nanoscale","issue":"11","abstract":[{"lang":"eng","text":"First-principles calculations reveal how topological defects in semiconducting carbon nanotubes trap triplet excitons and enable single-photon emission at telecom wavelengths, offering new insights into their potential for photonic devices."}],"language":[{"iso":"eng"}],"doi":"10.1039/d4nr03904a","author":[{"last_name":"Biktagirov","first_name":"Timur","full_name":"Biktagirov, Timur","id":"65612"},{"last_name":"Gerstmann","orcid":"0000-0002-4476-223X","first_name":"Uwe","full_name":"Gerstmann, Uwe","id":"171"},{"full_name":"Schmidt, Wolf Gero","orcid":"0000-0002-2717-5076","last_name":"Schmidt","first_name":"Wolf Gero","id":"468"}],"publication_identifier":{"issn":["2040-3364","2040-3372"]},"title":"Topological defects in semiconducting carbon nanotubes as triplet exciton traps and single-photon emitters","year":"2025","intvolume":" 17","date_updated":"2025-09-18T11:26:23Z","publication_status":"published"},{"date_created":"2025-07-09T09:23:04Z","department":[{"_id":"15"},{"_id":"2"},{"_id":"230"},{"_id":"295"},{"_id":"790"},{"_id":"302"},{"_id":"429"},{"_id":"35"},{"_id":"170"},{"_id":"27"}],"type":"journal_article","publication":"Surface Science","language":[{"iso":"eng"}],"article_number":"122776","main_file_link":[{"url":"https://doi.org/10.1016/j.susc.2025.122776","open_access":"1"}],"doi":"10.1016/j.susc.2025.122776","author":[{"id":"58349","first_name":"Adriana","orcid":"0000-0002-2134-3075","last_name":"Bocchini","full_name":"Bocchini, Adriana"},{"full_name":"Kollmann, S.","first_name":"S.","last_name":"Kollmann"},{"id":"171","full_name":"Gerstmann, Uwe","first_name":"Uwe","orcid":"0000-0002-4476-223X","last_name":"Gerstmann"},{"full_name":"Schmidt, Wolf Gero","first_name":"Wolf Gero","last_name":"Schmidt","orcid":"0000-0002-2717-5076","id":"468"},{"full_name":"Grundmeier, Guido","first_name":"Guido","last_name":"Grundmeier","id":"194"}],"publication_identifier":{"issn":["0039-6028"]},"year":"2025","title":"Phosphonic acid adsorption on α-Bi2O3 surfaces","intvolume":" 760","publication_status":"published","date_updated":"2025-12-05T13:34:10Z","oa":"1","citation":{"short":"A. Bocchini, S. Kollmann, U. Gerstmann, W.G. Schmidt, G. Grundmeier, Surface Science 760 (2025).","chicago":"Bocchini, Adriana, S. Kollmann, Uwe Gerstmann, Wolf Gero Schmidt, and Guido Grundmeier. “Phosphonic Acid Adsorption on <mml:Math Xmlns:Mml=\"http://Www.W3.Org/1998/Math/MathML\" Altimg=\"si23.Svg\" Display=\"inline\" Id=\"d1e564\"><mml:Mi>α</Mml:Mi></Mml:Math>-Bi<mml:Math Xmlns:Mml=\"http://Www.W3.Org/1998/Math/MathML\" Altimg=\"si24.Svg\" Display=\"inline\" Id=\"d1e569\"><mml:Msub><mml:Mrow/><mml:Mrow><mml:Mn>2</Mml:Mn></Mml:Mrow></Mml:Msub></Mml:Math>O<mml:Math Xmlns:Mml=\"http://Www.W3.Org/1998/Math/MathML\" Altimg=\"si25.Svg\" Display=\"inline\" Id=\"d1e577\"><mml:Msub><mml:Mrow/><mml:Mrow><mml:Mn>3</Mml:Mn></Mml:Mrow></Mml:Msub></Mml:Math> Surfaces.” Surface Science 760 (2025). https://doi.org/10.1016/j.susc.2025.122776.","apa":"Bocchini, A., Kollmann, S., Gerstmann, U., Schmidt, W. G., & Grundmeier, G. (2025). Phosphonic acid adsorption on <mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\" altimg=\"si23.svg\" display=\"inline\" id=\"d1e564\"><mml:mi>α</mml:mi></mml:math>-Bi<mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\" altimg=\"si24.svg\" display=\"inline\" id=\"d1e569\"><mml:msub><mml:mrow/><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:math>O<mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\" altimg=\"si25.svg\" display=\"inline\" id=\"d1e577\"><mml:msub><mml:mrow/><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:math> surfaces. Surface Science, 760, Article 122776. https://doi.org/10.1016/j.susc.2025.122776","ieee":"A. Bocchini, S. Kollmann, U. Gerstmann, W. G. Schmidt, and G. Grundmeier, “Phosphonic acid adsorption on <mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\" altimg=\"si23.svg\" display=\"inline\" id=\"d1e564\"><mml:mi>α</mml:mi></mml:math>-Bi<mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\" altimg=\"si24.svg\" display=\"inline\" id=\"d1e569\"><mml:msub><mml:mrow/><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:math>O<mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\" altimg=\"si25.svg\" display=\"inline\" id=\"d1e577\"><mml:msub><mml:mrow/><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:math> surfaces,” Surface Science, vol. 760, Art. no. 122776, 2025, doi: 10.1016/j.susc.2025.122776.","ama":"Bocchini A, Kollmann S, Gerstmann U, Schmidt WG, Grundmeier G. Phosphonic acid adsorption on <mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\" altimg=\"si23.svg\" display=\"inline\" id=\"d1e564\"><mml:mi>α</mml:mi></mml:math>-Bi<mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\" altimg=\"si24.svg\" display=\"inline\" id=\"d1e569\"><mml:msub><mml:mrow/><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:math>O<mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\" altimg=\"si25.svg\" display=\"inline\" id=\"d1e577\"><mml:msub><mml:mrow/><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:math> surfaces. 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Schmidt, Physical Review B 111 (2025).","mla":"Bocchini, Adriana, et al. “Microscopic Origin of Gray Tracks in <mml:Math Xmlns:Mml=\"http://Www.W3.Org/1998/Math/MathML\"><mml:Msub><mml:Mi>KTiOPO</Mml:Mi><mml:Mn>4</Mml:Mn></Mml:Msub></Mml:Math>.” Physical Review B, vol. 111, no. 10, 104103, American Physical Society (APS), 2025, doi:10.1103/physrevb.111.104103.","ama":"Bocchini A, Gerstmann U, Schmidt WG. Microscopic origin of gray tracks in <mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\"><mml:msub><mml:mi>KTiOPO</mml:mi><mml:mn>4</mml:mn></mml:msub></mml:math>. 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Devaraj et al., “Self-assembly of isolated plasmonic dimers with sub-5 nm gaps on a metallic mirror,” Nanoscale Horizons, vol. 10, pp. 537–548, 2025, doi: 10.1039/d4nh00546e.","mla":"Devaraj, Vasanthan, et al. “Self-Assembly of Isolated Plasmonic Dimers with Sub-5 Nm Gaps on a Metallic Mirror.” Nanoscale Horizons, vol. 10, Royal Society of Chemistry (RSC), 2025, pp. 537–48, doi:10.1039/d4nh00546e.","apa":"Devaraj, V., Ruiz Alvarado, I. A., Lee, J.-M., Oh, J.-W., Gerstmann, U., Schmidt, W. G., & Zentgraf, T. (2025). Self-assembly of isolated plasmonic dimers with sub-5 nm gaps on a metallic mirror. Nanoscale Horizons, 10, 537–548. https://doi.org/10.1039/d4nh00546e"}},{"citation":{"apa":"Bocchini, A., Rüsing, M., Bollmers, L., Lengeling, S., Mues, P., Padberg, L., Gerstmann, U., Silberhorn, C., Eigner, C., & Schmidt, W. G. (2025). Mg dopants in lithium niobate: Defect models and impact on domain inversion. 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Kruk, Nano Letters (2025).","chicago":"Mathew, Albert, Rebecca Aschwanden, Aditya Tripathi, Piyush Jangid, Basudeb Sain, Thomas Zentgraf, and Sergey Kruk. “Nonreciprocal Metasurfaces with Epsilon-Near-Zero Materials.” Nano Letters, 2025. https://doi.org/10.1021/acs.nanolett.4c06188."},"quality_controlled":"1","project":[{"name":"TRR 142: TRR 142 - Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen","_id":"53"},{"name":"TRR 142 - A: TRR 142 - Project Area A","_id":"54"},{"name":"TRR 142 - B: TRR 142 - Project Area B","_id":"55"},{"name":"TRR 142 - B09: TRR 142 - Effiziente Erzeugung mit maßgeschneiderter optischer Phaselage der zweiten Harmonischen mittels Quasi-gebundener Zustände in GaAs Metaoberflächen (B09*)","_id":"170"},{"name":"TRR 142 - A08: TRR 142 - Nichtlineare Kopplung von Zwischenschicht-Exzitonen in van der Waals-Heterostrukturen an plasmonische und dielektrische Nanokavitäten (A08)","_id":"65"}]},{"status":"public","page":"509-518","publisher":"Walter de Gruyter GmbH","_id":"61255","user_id":"16199","volume":13,"citation":{"mla":"Schneider, Tobias, et al. “Topological Edge and Corner States in Coupled Wave Lattices in Nonlinear Polariton Condensates.” Nanophotonics, vol. 13, no. 4, Walter de Gruyter GmbH, 2024, pp. 509–18, doi:10.1515/nanoph-2023-0556.","ama":"Schneider T, Gao W, Zentgraf T, Schumacher S, Ma X. Topological edge and corner states in coupled wave lattices in nonlinear polariton condensates. Nanophotonics. 2024;13(4):509-518. doi:10.1515/nanoph-2023-0556","bibtex":"@article{Schneider_Gao_Zentgraf_Schumacher_Ma_2024, title={Topological edge and corner states in coupled wave lattices in nonlinear polariton condensates}, volume={13}, DOI={10.1515/nanoph-2023-0556}, number={4}, journal={Nanophotonics}, publisher={Walter de Gruyter GmbH}, author={Schneider, Tobias and Gao, Wenlong and Zentgraf, Thomas and Schumacher, Stefan and Ma, Xuekai}, year={2024}, pages={509–518} }","apa":"Schneider, T., Gao, W., Zentgraf, T., Schumacher, S., & Ma, X. (2024). Topological edge and corner states in coupled wave lattices in nonlinear polariton condensates. Nanophotonics, 13(4), 509–518. https://doi.org/10.1515/nanoph-2023-0556","ieee":"T. Schneider, W. Gao, T. Zentgraf, S. Schumacher, and X. Ma, “Topological edge and corner states in coupled wave lattices in nonlinear polariton condensates,” Nanophotonics, vol. 13, no. 4, pp. 509–518, 2024, doi: 10.1515/nanoph-2023-0556.","short":"T. Schneider, W. Gao, T. Zentgraf, S. Schumacher, X. Ma, Nanophotonics 13 (2024) 509–518.","chicago":"Schneider, Tobias, Wenlong Gao, Thomas Zentgraf, Stefan Schumacher, and Xuekai Ma. “Topological Edge and Corner States in Coupled Wave Lattices in Nonlinear Polariton Condensates.” Nanophotonics 13, no. 4 (2024): 509–18. https://doi.org/10.1515/nanoph-2023-0556."},"project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"},{"name":"TRR 142: Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen","_id":"53"},{"_id":"54","name":"TRR 142 - Project Area A"},{"_id":"55","name":"TRR 142 - Project Area B"},{"name":"TRR 142; TP A04: Nichtlineare Quantenprozesstomographie und Photonik mit Polaritonen in Mikrokavitäten","_id":"61"},{"_id":"170","name":"TRR 142; TP B09: Effiziente Erzeugung mit maßgeschneiderter optischer Phaselage der zweiten Harmonischen mittels Quasi-gebundener Zustände in GaAs Metaoberflächen"}],"year":"2024","title":"Topological edge and corner states in coupled wave lattices in nonlinear polariton condensates","author":[{"last_name":"Schneider","first_name":"Tobias","full_name":"Schneider, Tobias"},{"last_name":"Gao","first_name":"Wenlong","full_name":"Gao, Wenlong","id":"78853"},{"full_name":"Zentgraf, Thomas","last_name":"Zentgraf","orcid":"0000-0002-8662-1101","first_name":"Thomas","id":"30525"},{"id":"27271","full_name":"Schumacher, Stefan","first_name":"Stefan","last_name":"Schumacher","orcid":"0000-0003-4042-4951"},{"id":"59416","full_name":"Ma, Xuekai","last_name":"Ma","first_name":"Xuekai"}],"publication_identifier":{"issn":["2192-8614"]},"publication_status":"published","date_updated":"2025-09-12T11:22:41Z","intvolume":" 13","language":[{"iso":"eng"}],"doi":"10.1515/nanoph-2023-0556","issue":"4","publication":"Nanophotonics","abstract":[{"lang":"eng","text":"Abstract\r\n Topological states have been widely investigated in different types of systems and lattices. In the present work, we report on topological edge states in double-wave (DW) chains, which can be described by a generalized Aubry-André-Harper (AAH) model. For the specific system of a driven-dissipative exciton polariton system we show that in such potential chains, different types of edge states can form. For resonant optical excitation, we further find that the optical nonlinearity leads to a multistability of different edge states. This includes topologically protected edge states evolved directly from individual linear eigenstates as well as additional edge states that originate from nonlinearity-induced localization of bulk states. Extending the system into two dimensions (2D) by stacking horizontal DW chains in the vertical direction, we also create 2D multi-wave lattices. In such 2D lattices multiple Su–Schrieffer–Heeger (SSH) chains appear along the vertical direction. The combination of DW chains in the horizonal and SSH chains in the vertical direction then results in the formation of higher-order topological insulator corner states. Multistable corner states emerge in the nonlinear regime."}],"date_created":"2025-09-12T11:19:22Z","type":"journal_article","department":[{"_id":"15"},{"_id":"170"},{"_id":"297"},{"_id":"705"},{"_id":"35"},{"_id":"230"},{"_id":"429"},{"_id":"27"}]},{"project":[{"_id":"53","name":"TRR 142: Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen"},{"name":"TRR 142 - Project Area A","_id":"54"},{"name":"TRR 142 - Project Area B","_id":"55"},{"name":"TRR 142 - Subproject A11","_id":"166"},{"name":"TRR 142 - Polaronen-Einfluss auf die optischen Eigenschaften von Lithiumniobat (B07*)","_id":"168"},{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"citation":{"apa":"Krenz, M., Sanna, S., Gerstmann, U., & Schmidt, W. G. (2024). Understanding and Improving Triplet Exciton Transfer in Sensitized Silicon Solar Cells. The Journal of Physical Chemistry C, 128(41), 17774–17778. https://doi.org/10.1021/acs.jpcc.4c05446","mla":"Krenz, Marvin, et al. “Understanding and Improving Triplet Exciton Transfer in Sensitized Silicon Solar Cells.” The Journal of Physical Chemistry C, vol. 128, no. 41, American Chemical Society (ACS), 2024, pp. 17774–78, doi:10.1021/acs.jpcc.4c05446.","ieee":"M. Krenz, S. Sanna, U. Gerstmann, and W. G. Schmidt, “Understanding and Improving Triplet Exciton Transfer in Sensitized Silicon Solar Cells,” The Journal of Physical Chemistry C, vol. 128, no. 41, pp. 17774–17778, 2024, doi: 10.1021/acs.jpcc.4c05446.","ama":"Krenz M, Sanna S, Gerstmann U, Schmidt WG. Understanding and Improving Triplet Exciton Transfer in Sensitized Silicon Solar Cells. The Journal of Physical Chemistry C. 2024;128(41):17774-17778. doi:10.1021/acs.jpcc.4c05446","short":"M. Krenz, S. Sanna, U. Gerstmann, W.G. Schmidt, The Journal of Physical Chemistry C 128 (2024) 17774–17778.","chicago":"Krenz, Marvin, Simone Sanna, Uwe Gerstmann, and Wolf Gero Schmidt. “Understanding and Improving Triplet Exciton Transfer in Sensitized Silicon Solar Cells.” The Journal of Physical Chemistry C 128, no. 41 (2024): 17774–78. https://doi.org/10.1021/acs.jpcc.4c05446.","bibtex":"@article{Krenz_Sanna_Gerstmann_Schmidt_2024, title={Understanding and Improving Triplet Exciton Transfer in Sensitized Silicon Solar Cells}, volume={128}, DOI={10.1021/acs.jpcc.4c05446}, number={41}, journal={The Journal of Physical Chemistry C}, publisher={American Chemical Society (ACS)}, author={Krenz, Marvin and Sanna, Simone and Gerstmann, Uwe and Schmidt, Wolf Gero}, year={2024}, pages={17774–17778} }"},"volume":128,"user_id":"16199","_id":"61357","publisher":"American Chemical Society (ACS)","page":"17774-17778","status":"public","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"790"},{"_id":"230"},{"_id":"429"},{"_id":"35"},{"_id":"27"}],"type":"journal_article","date_created":"2025-09-18T11:32:33Z","issue":"41","publication":"The Journal of Physical Chemistry C","doi":"10.1021/acs.jpcc.4c05446","language":[{"iso":"eng"}],"intvolume":" 128","publication_status":"published","date_updated":"2025-09-18T11:34:21Z","publication_identifier":{"issn":["1932-7447","1932-7455"]},"author":[{"last_name":"Krenz","first_name":"Marvin","full_name":"Krenz, Marvin"},{"full_name":"Sanna, Simone","first_name":"Simone","last_name":"Sanna"},{"full_name":"Gerstmann, Uwe","first_name":"Uwe","orcid":"0000-0002-4476-223X","last_name":"Gerstmann","id":"171"},{"last_name":"Schmidt","orcid":"0000-0002-2717-5076","first_name":"Wolf Gero","full_name":"Schmidt, Wolf Gero","id":"468"}],"year":"2024","title":"Understanding and Improving Triplet Exciton Transfer in Sensitized Silicon Solar Cells"},{"project":[{"_id":"53","name":"TRR 142: TRR 142 - Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen"},{"_id":"55","name":"TRR 142 - B: TRR 142 - Project Area B"},{"_id":"168","name":"TRR 142 - B07: TRR 142 - Polaronen-Einfluss auf die optischen Eigenschaften von Lithiumniobat (B07*)"}],"citation":{"short":"I.A. Ruiz Alvarado, C. Dreßler, W.G. Schmidt, Journal of Physics: Condensed Matter 37 (2024).","chicago":"Ruiz Alvarado, Isaac Azahel, Christian Dreßler, and Wolf Gero Schmidt. “Band Alignment at InP/TiO2 Interfaces from Density-Functional Theory.” Journal of Physics: Condensed Matter 37, no. 7 (2024). https://doi.org/10.1088/1361-648x/ad9725.","ieee":"I. A. Ruiz Alvarado, C. Dreßler, and W. G. Schmidt, “Band alignment at InP/TiO2 interfaces from density-functional theory,” Journal of Physics: Condensed Matter, vol. 37, no. 7, Art. no. 075001, 2024, doi: 10.1088/1361-648x/ad9725.","apa":"Ruiz Alvarado, I. A., Dreßler, C., & Schmidt, W. G. (2024). Band alignment at InP/TiO2 interfaces from density-functional theory. Journal of Physics: Condensed Matter, 37(7), Article 075001. https://doi.org/10.1088/1361-648x/ad9725","bibtex":"@article{Ruiz Alvarado_Dreßler_Schmidt_2024, title={Band alignment at InP/TiO2 interfaces from density-functional theory}, volume={37}, DOI={10.1088/1361-648x/ad9725}, number={7075001}, journal={Journal of Physics: Condensed Matter}, publisher={IOP Publishing}, author={Ruiz Alvarado, Isaac Azahel and Dreßler, Christian and Schmidt, Wolf Gero}, year={2024} }","ama":"Ruiz Alvarado IA, Dreßler C, Schmidt WG. Band alignment at InP/TiO2 interfaces from density-functional theory. Journal of Physics: Condensed Matter. 2024;37(7). doi:10.1088/1361-648x/ad9725","mla":"Ruiz Alvarado, Isaac Azahel, et al. “Band Alignment at InP/TiO2 Interfaces from Density-Functional Theory.” Journal of Physics: Condensed Matter, vol. 37, no. 7, 075001, IOP Publishing, 2024, doi:10.1088/1361-648x/ad9725."},"status":"public","user_id":"16199","volume":37,"publisher":"IOP Publishing","_id":"60581","abstract":[{"lang":"eng","text":"Abstract\r\n The natural band alignments between indium phosphide and the main dioxides of titanium, i.e. rutile, anatase, and brookite as well as amorphous titania are calculated from the branch-point energies of the respective materials. Irrespective of the titania polymorph considered, type-I band alignment is predicted. This may change, however, in dependence on the microscopic interface structure: supercell calculations for amorphous titania grown on P-rich InP(001) surfaces result in a titania conduction band that nearly aligns with that of InP. Depending on the interface specifics, both type-I band and type-II band alignments are observed in the simulations. This agrees with recent experimental findings."}],"issue":"7","publication":"Journal of Physics: Condensed Matter","type":"journal_article","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"230"},{"_id":"27"},{"_id":"35"}],"date_created":"2025-07-09T13:40:51Z","date_updated":"2025-12-05T13:35:44Z","publication_status":"published","intvolume":" 37","title":"Band alignment at InP/TiO2 interfaces from density-functional theory","year":"2024","publication_identifier":{"issn":["0953-8984","1361-648X"]},"author":[{"id":"79462","last_name":"Ruiz Alvarado","first_name":"Isaac Azahel","orcid":"0000-0002-4710-1170","full_name":"Ruiz Alvarado, Isaac Azahel"},{"first_name":"Christian","last_name":"Dreßler","full_name":"Dreßler, Christian"},{"last_name":"Schmidt","orcid":"0000-0002-2717-5076","first_name":"Wolf Gero","full_name":"Schmidt, Wolf Gero","id":"468"}],"doi":"10.1088/1361-648x/ad9725","article_number":"075001","language":[{"iso":"eng"}]},{"publication":"Small","citation":{"ieee":"M. Groll et al., “DFT‐Assisted Investigation of the Electric Field and Charge Density Distribution of Pristine and Defective 2D WSe2 by Differential Phase Contrast Imaging,” Small, 2024, doi: 10.1002/smll.202311635.","apa":"Groll, M., Bürger, J., Caltzidis, I., Jöns, K. D., Schmidt, W. G., Gerstmann, U., & Lindner, J. K. N. (2024). DFT‐Assisted Investigation of the Electric Field and Charge Density Distribution of Pristine and Defective 2D WSe2 by Differential Phase Contrast Imaging. Small. https://doi.org/10.1002/smll.202311635","chicago":"Groll, Maja, Julius Bürger, Ioannis Caltzidis, Klaus D. Jöns, Wolf Gero Schmidt, Uwe Gerstmann, and Jörg K. N. Lindner. “DFT‐Assisted Investigation of the Electric Field and Charge Density Distribution of Pristine and Defective 2D WSe2 by Differential Phase Contrast Imaging.” Small, 2024. https://doi.org/10.1002/smll.202311635.","short":"M. Groll, J. Bürger, I. Caltzidis, K.D. Jöns, W.G. Schmidt, U. Gerstmann, J.K.N. Lindner, Small (2024).","mla":"Groll, Maja, et al. “DFT‐Assisted Investigation of the Electric Field and Charge Density Distribution of Pristine and Defective 2D WSe2 by Differential Phase Contrast Imaging.” Small, Wiley, 2024, doi:10.1002/smll.202311635.","bibtex":"@article{Groll_Bürger_Caltzidis_Jöns_Schmidt_Gerstmann_Lindner_2024, title={DFT‐Assisted Investigation of the Electric Field and Charge Density Distribution of Pristine and Defective 2D WSe2 by Differential Phase Contrast Imaging}, DOI={10.1002/smll.202311635}, journal={Small}, publisher={Wiley}, author={Groll, Maja and Bürger, Julius and Caltzidis, Ioannis and Jöns, Klaus D. and Schmidt, Wolf Gero and Gerstmann, Uwe and Lindner, Jörg K. N.}, year={2024} }","ama":"Groll M, Bürger J, Caltzidis I, et al. DFT‐Assisted Investigation of the Electric Field and Charge Density Distribution of Pristine and Defective 2D WSe2 by Differential Phase Contrast Imaging. Small. Published online 2024. doi:10.1002/smll.202311635"},"abstract":[{"lang":"eng","text":"AbstractMost properties of solid materials are defined by their internal electric field and charge density distributions which so far are difficult to measure with high spatial resolution. Especially for 2D materials, the atomic electric fields influence the optoelectronic properties. In this study, the atomic‐scale electric field and charge density distribution of WSe2 bi‐ and trilayers are revealed using an emerging microscopy technique, differential phase contrast (DPC) imaging in scanning transmission electron microscopy (STEM). For pristine material, a higher positive charge density located at the selenium atomic columns compared to the tungsten atomic columns is obtained and tentatively explained by a coherent scattering effect. Furthermore, the change in the electric field distribution induced by a missing selenium atomic column is investigated. A characteristic electric field distribution in the vicinity of the defect with locally reduced magnitudes compared to the pristine lattice is observed. This effect is accompanied by a considerable inward relaxation of the surrounding lattice, which according to first principles DFT calculation is fully compatible with a missing column of Se atoms. This shows that DPC imaging, as an electric field sensitive technique, provides additional and remarkable information to the otherwise only structural analysis obtained with conventional STEM imaging."}],"project":[{"_id":"53","name":"TRR 142: TRR 142 - Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen"},{"name":"TRR 142 - A: TRR 142 - Project Area A","_id":"54"},{"name":"TRR 142 - B: TRR 142 - Project Area B","_id":"55"},{"name":"TRR 142 - A11: TRR 142 - Subproject A11","_id":"166"},{"_id":"168","name":"TRR 142 - B07: TRR 142 - Polaronen-Einfluss auf die optischen Eigenschaften von Lithiumniobat (B07*)"},{"_id":"52","name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"date_created":"2024-06-24T09:46:25Z","type":"journal_article","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"790"},{"_id":"642"},{"_id":"286"},{"_id":"429"},{"_id":"230"},{"_id":"27"},{"_id":"35"},{"_id":"169"}],"status":"public","year":"2024","title":"DFT‐Assisted Investigation of the Electric Field and Charge Density Distribution of Pristine and Defective 2D WSe2 by Differential Phase Contrast Imaging","author":[{"last_name":"Groll","first_name":"Maja","full_name":"Groll, Maja"},{"last_name":"Bürger","first_name":"Julius","full_name":"Bürger, Julius","id":"46952"},{"id":"87911","first_name":"Ioannis","last_name":"Caltzidis","full_name":"Caltzidis, Ioannis"},{"first_name":"Klaus D.","last_name":"Jöns","full_name":"Jöns, Klaus D.","id":"85353"},{"full_name":"Schmidt, Wolf Gero","last_name":"Schmidt","first_name":"Wolf Gero","orcid":"0000-0002-2717-5076","id":"468"},{"id":"171","orcid":"0000-0002-4476-223X","last_name":"Gerstmann","first_name":"Uwe","full_name":"Gerstmann, Uwe"},{"id":"20797","full_name":"Lindner, Jörg K. N.","last_name":"Lindner","first_name":"Jörg K. N."}],"publication_identifier":{"issn":["1613-6810","1613-6829"]},"date_updated":"2025-12-05T13:39:01Z","publication_status":"published","article_type":"original","publisher":"Wiley","_id":"54868","language":[{"iso":"eng"}],"doi":"10.1002/smll.202311635","user_id":"16199"},{"abstract":[{"lang":"eng","text":"Abstract\r\n Theoretical spectroscopy based on double perturbation theory is typically challenged by systems with large orbital hyperfine splitting. Therefore, we here derive a rigorous, non-perturbative scheme starting from Dirac’s equation which allows to calculate the contribution of the orbital HFI for complex structures including heavy atoms with strong spin-orbit coupling (SOC). Using the PAW formalism, the method has been implemented in the software package Quantum ESPRESSO. We show that the ‘orbital part’ actually scales with SOC strength if orbital quenching is hindered by low local symmetry, i.e. in case of dimers or atoms at surfaces. This holds true in particular when the unpaired electron is localized in quasi-atomic p-like orbitals. Here, the orbital part is by far not negligible, but becomes dominant by surpassing the dipolar contribution by a factor of five."}],"publication":"Journal of Physics: Conference Series","issue":"1","type":"journal_article","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"790"},{"_id":"230"},{"_id":"429"},{"_id":"27"},{"_id":"35"}],"date_created":"2024-06-24T06:26:02Z","publication_status":"published","date_updated":"2025-12-05T13:36:01Z","intvolume":" 2701","year":"2024","title":"Relativistic calculation of the orbital hyperfine splitting in complex microscopic structures","publication_identifier":{"issn":["1742-6588","1742-6596"]},"author":[{"last_name":"Franzke","first_name":"Katharina","full_name":"Franzke, Katharina"},{"id":"468","full_name":"Schmidt, Wolf Gero","last_name":"Schmidt","orcid":"0000-0002-2717-5076","first_name":"Wolf Gero"},{"id":"171","first_name":"Uwe","last_name":"Gerstmann","orcid":"0000-0002-4476-223X","full_name":"Gerstmann, Uwe"}],"doi":"10.1088/1742-6596/2701/1/012094","article_number":"012094","language":[{"iso":"eng"}],"project":[{"name":"TRR 142: TRR 142 - Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen","_id":"53"},{"_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 - A11: TRR 142 - Subproject A11","_id":"166"},{"name":"TRR 142 - B07: TRR 142 - Polaronen-Einfluss auf die optischen Eigenschaften von Lithiumniobat (B07*)","_id":"168"},{"_id":"52","name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"citation":{"chicago":"Franzke, Katharina, Wolf Gero Schmidt, and Uwe Gerstmann. “Relativistic Calculation of the Orbital Hyperfine Splitting in Complex Microscopic Structures.” Journal of Physics: Conference Series 2701, no. 1 (2024). https://doi.org/10.1088/1742-6596/2701/1/012094.","short":"K. Franzke, W.G. Schmidt, U. Gerstmann, Journal of Physics: Conference Series 2701 (2024).","ieee":"K. Franzke, W. G. Schmidt, and U. Gerstmann, “Relativistic calculation of the orbital hyperfine splitting in complex microscopic structures,” Journal of Physics: Conference Series, vol. 2701, no. 1, Art. no. 012094, 2024, doi: 10.1088/1742-6596/2701/1/012094.","apa":"Franzke, K., Schmidt, W. G., & Gerstmann, U. (2024). Relativistic calculation of the orbital hyperfine splitting in complex microscopic structures. Journal of Physics: Conference Series, 2701(1), Article 012094. https://doi.org/10.1088/1742-6596/2701/1/012094","bibtex":"@article{Franzke_Schmidt_Gerstmann_2024, title={Relativistic calculation of the orbital hyperfine splitting in complex microscopic structures}, volume={2701}, DOI={10.1088/1742-6596/2701/1/012094}, number={1012094}, journal={Journal of Physics: Conference Series}, publisher={IOP Publishing}, author={Franzke, Katharina and Schmidt, Wolf Gero and Gerstmann, Uwe}, year={2024} }","ama":"Franzke K, Schmidt WG, Gerstmann U. Relativistic calculation of the orbital hyperfine splitting in complex microscopic structures. Journal of Physics: Conference Series. 2024;2701(1). doi:10.1088/1742-6596/2701/1/012094","mla":"Franzke, Katharina, et al. “Relativistic Calculation of the Orbital Hyperfine Splitting in Complex Microscopic Structures.” Journal of Physics: Conference Series, vol. 2701, no. 1, 012094, IOP Publishing, 2024, doi:10.1088/1742-6596/2701/1/012094."},"status":"public","user_id":"16199","volume":2701,"publisher":"IOP Publishing","_id":"54856"},{"article_number":"076201","language":[{"iso":"eng"}],"doi":"10.1103/physrevlett.132.076201","title":"Defect-Assisted Exciton Transfer across the Tetracene-Si(111):H Interface","year":"2024","publication_identifier":{"issn":["0031-9007","1079-7114"]},"author":[{"last_name":"Krenz","first_name":"Marvin","full_name":"Krenz, Marvin","id":"52309"},{"full_name":"Gerstmann, Uwe","orcid":"0000-0002-4476-223X","last_name":"Gerstmann","first_name":"Uwe","id":"171"},{"first_name":"Wolf Gero","orcid":"0000-0002-2717-5076","last_name":"Schmidt","full_name":"Schmidt, Wolf Gero","id":"468"}],"date_updated":"2025-12-05T13:38:22Z","publication_status":"published","intvolume":" 132","date_created":"2024-06-24T09:39:42Z","type":"journal_article","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"790"},{"_id":"429"},{"_id":"27"},{"_id":"230"},{"_id":"35"}],"issue":"7","publication":"Physical Review Letters","publisher":"American Physical Society (APS)","_id":"54865","user_id":"16199","volume":132,"status":"public","citation":{"bibtex":"@article{Krenz_Gerstmann_Schmidt_2024, title={Defect-Assisted Exciton Transfer across the Tetracene-Si(111):H Interface}, volume={132}, DOI={10.1103/physrevlett.132.076201}, number={7076201}, journal={Physical Review Letters}, publisher={American Physical Society (APS)}, author={Krenz, Marvin and Gerstmann, Uwe and Schmidt, Wolf Gero}, year={2024} }","ama":"Krenz M, Gerstmann U, Schmidt WG. Defect-Assisted Exciton Transfer across the Tetracene-Si(111):H Interface. Physical Review Letters. 2024;132(7). doi:10.1103/physrevlett.132.076201","mla":"Krenz, Marvin, et al. “Defect-Assisted Exciton Transfer across the Tetracene-Si(111):H Interface.” Physical Review Letters, vol. 132, no. 7, 076201, American Physical Society (APS), 2024, doi:10.1103/physrevlett.132.076201.","chicago":"Krenz, Marvin, Uwe Gerstmann, and Wolf Gero Schmidt. “Defect-Assisted Exciton Transfer across the Tetracene-Si(111):H Interface.” Physical Review Letters 132, no. 7 (2024). https://doi.org/10.1103/physrevlett.132.076201.","short":"M. Krenz, U. Gerstmann, W.G. Schmidt, Physical Review Letters 132 (2024).","ieee":"M. Krenz, U. Gerstmann, and W. G. Schmidt, “Defect-Assisted Exciton Transfer across the Tetracene-Si(111):H Interface,” Physical Review Letters, vol. 132, no. 7, Art. no. 076201, 2024, doi: 10.1103/physrevlett.132.076201.","apa":"Krenz, M., Gerstmann, U., & Schmidt, W. G. (2024). Defect-Assisted Exciton Transfer across the Tetracene-Si(111):H Interface. Physical Review Letters, 132(7), Article 076201. https://doi.org/10.1103/physrevlett.132.076201"},"project":[{"name":"TRR 142: TRR 142 - Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen","_id":"53"},{"name":"TRR 142 - A: TRR 142 - Project Area A","_id":"54"},{"_id":"55","name":"TRR 142 - B: TRR 142 - Project Area B"},{"_id":"168","name":"TRR 142 - B07: TRR 142 - Polaronen-Einfluss auf die optischen Eigenschaften von Lithiumniobat (B07*)"},{"name":"TRR 142 - A11: TRR 142 - Subproject A11","_id":"166"},{"name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}]},{"language":[{"iso":"eng"}],"article_number":"1423","main_file_link":[{"open_access":"1","url":"https://doi.org/10.3390/cryst13101423"}],"doi":"10.3390/cryst13101423","author":[{"full_name":"Neufeld, Sergej","last_name":"Neufeld","first_name":"Sergej"},{"first_name":"Uwe","last_name":"Gerstmann","orcid":"0000-0002-4476-223X","full_name":"Gerstmann, Uwe","id":"171"},{"id":"40300","last_name":"Padberg","first_name":"Laura","full_name":"Padberg, Laura"},{"id":"13244","full_name":"Eigner, Christof","last_name":"Eigner","orcid":"https://orcid.org/0000-0002-5693-3083","first_name":"Christof"},{"full_name":"Berth, Gerhard","first_name":"Gerhard","last_name":"Berth","id":"53"},{"id":"26263","last_name":"Silberhorn","first_name":"Christine","full_name":"Silberhorn, Christine"},{"full_name":"Eng, Lukas M.","last_name":"Eng","first_name":"Lukas M."},{"id":"468","first_name":"Wolf Gero","last_name":"Schmidt","orcid":"0000-0002-2717-5076","full_name":"Schmidt, Wolf Gero"},{"last_name":"Rüsing","orcid":"0000-0003-4682-4577","first_name":"Michael","full_name":"Rüsing, Michael","id":"22501"}],"publication_identifier":{"issn":["2073-4352"]},"year":"2023","title":"Vibrational Properties of the Potassium Titanyl Phosphate Crystal Family","intvolume":" 13","publication_status":"published","date_updated":"2023-10-11T09:15:58Z","date_created":"2023-10-11T09:10:53Z","department":[{"_id":"169"}],"type":"journal_article","keyword":["Inorganic Chemistry","Condensed Matter Physics","General Materials Science","General Chemical Engineering"],"issue":"10","publication":"Crystals","abstract":[{"text":"The crystal family of potassium titanyl phosphate (KTiOPO4) is a promising material group for applications in quantum and nonlinear optics. The fabrication of low-loss optical waveguides, as well as high-grade periodically poled ferroelectric domain structures, requires a profound understanding of the material properties and crystal structure. In this regard, Raman spectroscopy offers the possibility to study and visualize domain structures, strain, defects, and the local stoichiometry, which are all factors impacting device performance. However, the accurate interpretation of Raman spectra and their changes with respect to extrinsic and intrinsic defects requires a thorough assignment of the Raman modes to their respective crystal features, which to date is only partly conducted based on phenomenological modelling. To address this issue, we calculated the phonon spectra of potassium titanyl phosphate and the related compounds rubidium titanyl phosphate (RbTiOPO4) and potassium titanyl arsenate (KTiOAsO4) based on density functional theory and compared them with experimental data. Overall, this allows us to assign various spectral features to eigenmodes of lattice substructures with improved detail compared to previous assignments. Nevertheless, the analysis also shows that not all features of the spectra can unambigiously be explained yet. A possible explanation might be that defects or long range fields not included in the modeling play a crucial rule for the resulting Raman spectrum. In conclusion, this work provides an improved foundation into the vibrational properties in the KTiOPO4 material family.","lang":"eng"}],"_id":"47997","publisher":"MDPI AG","funded_apc":"1","volume":13,"user_id":"22501","status":"public","oa":"1","citation":{"mla":"Neufeld, Sergej, et al. “Vibrational Properties of the Potassium Titanyl Phosphate Crystal Family.” Crystals, vol. 13, no. 10, 1423, MDPI AG, 2023, doi:10.3390/cryst13101423.","ama":"Neufeld S, Gerstmann U, Padberg L, et al. Vibrational Properties of the Potassium Titanyl Phosphate Crystal Family. Crystals. 2023;13(10). doi:10.3390/cryst13101423","bibtex":"@article{Neufeld_Gerstmann_Padberg_Eigner_Berth_Silberhorn_Eng_Schmidt_Rüsing_2023, title={Vibrational Properties of the Potassium Titanyl Phosphate Crystal Family}, volume={13}, DOI={10.3390/cryst13101423}, number={101423}, journal={Crystals}, publisher={MDPI AG}, author={Neufeld, Sergej and Gerstmann, Uwe and Padberg, Laura and Eigner, Christof and Berth, Gerhard and Silberhorn, Christine and Eng, Lukas M. and Schmidt, Wolf Gero and Rüsing, Michael}, year={2023} }","apa":"Neufeld, S., Gerstmann, U., Padberg, L., Eigner, C., Berth, G., Silberhorn, C., Eng, L. M., Schmidt, W. G., & Rüsing, M. (2023). Vibrational Properties of the Potassium Titanyl Phosphate Crystal Family. Crystals, 13(10), Article 1423. https://doi.org/10.3390/cryst13101423","ieee":"S. Neufeld et al., “Vibrational Properties of the Potassium Titanyl Phosphate Crystal Family,” Crystals, vol. 13, no. 10, Art. no. 1423, 2023, doi: 10.3390/cryst13101423.","chicago":"Neufeld, Sergej, Uwe Gerstmann, Laura Padberg, Christof Eigner, Gerhard Berth, Christine Silberhorn, Lukas M. Eng, Wolf Gero Schmidt, and Michael Rüsing. “Vibrational Properties of the Potassium Titanyl Phosphate Crystal Family.” Crystals 13, no. 10 (2023). https://doi.org/10.3390/cryst13101423.","short":"S. Neufeld, U. Gerstmann, L. Padberg, C. Eigner, G. Berth, C. Silberhorn, L.M. Eng, W.G. Schmidt, M. Rüsing, Crystals 13 (2023)."},"project":[{"_id":"168","grant_number":"231447078","name":"TRR 142 - B07: TRR 142 - Polaronen-Einfluss auf die optischen Eigenschaften von Lithiumniobat (B07*)"},{"name":"TRR 142 - B: TRR 142 - Project Area B","_id":"55"},{"grant_number":"PROFILNRW-2020-067","_id":"266","name":"PhoQC: PhoQC: Photonisches Quantencomputing"}],"quality_controlled":"1"},{"related_material":{"record":[{"status":"public","relation":"later_version","id":"48599"}]},"abstract":[{"lang":"eng","text":"The biexciton-exciton emission cascade commonly used in quantum-dot systems to generate polarization entanglement yields photons with intrinsically limited indistinguishability. In the present work we focus on the generation of pairs of photons with high degrees of polarization entanglement and simultaneously high indistinguishibility. We achieve this goal by selectively reducing the biexciton lifetime with an optical resonator. We demonstrate that a suitably tailored circular Bragg reflector fulfills the requirements of sufficient selective Purcell enhancement of biexciton emission paired with spectrally broad photon extraction and two-fold degenerate optical modes. Our in-depth theoretical study combines (i) the optimization of realistic photonic structures solving Maxwell's equations from which model parameters are extracted as input for (ii) microscopic simulations of quantum-dot cavity excitation dynamics with full access to photon properties. We report non-trivial dependencies on system parameters and use the predictive power of our combined theoretical approach to determine the optimal range of Purcell enhancement that maximizes indistinguishability and entanglement to near unity values in the telecom C-band at $1550\\,\\mathrm{nm}$."}],"project":[{"name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"},{"grant_number":"231447078","_id":"173","name":"TRR 142 - C09: TRR 142 - Subproject C09"},{"name":"TRR 142 - B06: TRR 142 - Subproject B06","_id":"167","grant_number":"231447078"},{"grant_number":"231447078","_id":"53","name":"TRR 142: TRR 142"},{"name":"TRR 142 - B: TRR 142 - Project Area B","_id":"55"},{"_id":"56","name":"TRR 142 - C: TRR 142 - Project Area C"}],"citation":{"ieee":"D. Bauch, D. Siebert, K. Jöns, J. Förstner, and S. Schumacher, “On-demand indistinguishable and entangled photons at telecom frequencies using tailored cavity designs.” 2023.","apa":"Bauch, D., Siebert, D., Jöns, K., Förstner, J., & Schumacher, S. (2023). On-demand indistinguishable and entangled photons at telecom frequencies using tailored cavity designs.","short":"D. Bauch, D. Siebert, K. Jöns, J. Förstner, S. Schumacher, (2023).","chicago":"Bauch, David, Dustin Siebert, Klaus Jöns, Jens Förstner, and Stefan Schumacher. “On-Demand Indistinguishable and Entangled Photons at Telecom Frequencies Using Tailored Cavity Designs,” 2023.","mla":"Bauch, David, et al. On-Demand Indistinguishable and Entangled Photons at Telecom Frequencies Using Tailored Cavity Designs. 2023.","bibtex":"@article{Bauch_Siebert_Jöns_Förstner_Schumacher_2023, title={On-demand indistinguishable and entangled photons at telecom frequencies using tailored cavity designs}, author={Bauch, David and Siebert, Dustin and Jöns, Klaus and Förstner, Jens and Schumacher, Stefan}, year={2023} }","ama":"Bauch D, Siebert D, Jöns K, Förstner J, Schumacher S. On-demand indistinguishable and entangled photons at telecom frequencies using tailored cavity designs. Published online 2023."},"keyword":["tet_topic_phc","tet_topic_qd"],"type":"preprint","department":[{"_id":"61"},{"_id":"230"},{"_id":"429"},{"_id":"623"},{"_id":"15"},{"_id":"35"},{"_id":"170"},{"_id":"297"}],"oa":"1","date_created":"2023-03-31T13:22:05Z","date_updated":"2023-12-21T10:41:17Z","title":"On-demand indistinguishable and entangled photons at telecom frequencies using tailored cavity designs","status":"public","year":"2023","author":[{"last_name":"Bauch","first_name":"David","full_name":"Bauch, David"},{"full_name":"Siebert, Dustin","last_name":"Siebert","first_name":"Dustin"},{"id":"85353","first_name":"Klaus","last_name":"Jöns","full_name":"Jöns, Klaus"},{"full_name":"Förstner, Jens","last_name":"Förstner","first_name":"Jens","orcid":"0000-0001-7059-9862","id":"158"},{"id":"27271","full_name":"Schumacher, Stefan","orcid":"0000-0003-4042-4951","last_name":"Schumacher","first_name":"Stefan"}],"user_id":"16199","main_file_link":[{"url":"https://arxiv.org/pdf/2303.13871.pdf","open_access":"1"}],"_id":"43246","language":[{"iso":"eng"}]},{"doi":"10.1021/acsphotonics.3c01163","language":[{"iso":"eng"}],"main_file_link":[{"url":"https://pubs.acs.org/doi/full/10.1021/acsphotonics.3c01163","open_access":"1"}],"intvolume":" 10","article_type":"original","date_updated":"2024-04-16T06:47:40Z","publication_status":"published","publication_identifier":{"issn":["2330-4022","2330-4022"]},"author":[{"last_name":"Liu","first_name":"Bingyi","full_name":"Liu, Bingyi"},{"full_name":"Geromel, René","last_name":"Geromel","first_name":"René"},{"full_name":"Su, Zhaoxian","first_name":"Zhaoxian","last_name":"Su"},{"full_name":"Guo, Kai","first_name":"Kai","last_name":"Guo"},{"last_name":"Wang","first_name":"Yongtian","full_name":"Wang, Yongtian"},{"last_name":"Guo","first_name":"Zhongyi","full_name":"Guo, Zhongyi"},{"full_name":"Huang, Lingling","last_name":"Huang","first_name":"Lingling"},{"id":"30525","full_name":"Zentgraf, Thomas","first_name":"Thomas","last_name":"Zentgraf","orcid":"0000-0002-8662-1101"}],"title":"Nonlinear Dielectric Geometric-Phase Metasurface with Simultaneous Structure and Lattice Symmetry Design","year":"2023","department":[{"_id":"15"},{"_id":"230"},{"_id":"289"},{"_id":"623"}],"keyword":["Electrical and Electronic Engineering","Atomic and Molecular Physics","and Optics","Biotechnology","Electronic","Optical and Magnetic Materials"],"type":"journal_article","date_created":"2023-12-13T14:11:41Z","abstract":[{"text":"In this work, we utilize thin dielectric meta-atoms placed on a silver substrate to efficiently enhance and manipulate the third-harmonic generation. We theoretically and experimentally reveal that when the structural symmetry of the meta-atom is incompatible with the lattice symmetry of an array, some generalized nonlinear geometric phases appear, which offers new possibilities for harmonic generation control beyond the accessible symmetries governed by the selection rule. The underlying mechanism is attributed to the modified rotation of the effective principal axis of a dense meta-atom array, where the strong coupling among the units gives rise to a generalized linear geometric phase modulation of the pump light. Therefore, nonlinear geometric phases carried by third-harmonic emissions are the natural result of the wave-mixing process among the modes excited at the fundamental frequency. This mechanism further points out a new strategy to predict the nonlinear geometric phases delivered by the nanostructures according to their linear responses. Our design is simple and efficient and offers alternatives for the nonlinear meta-devices that are capable of flexible photon generation and manipulation.","lang":"eng"}],"publication":"ACS Photonics","issue":"12","volume":10,"user_id":"30525","funded_apc":"1","_id":"49607","publisher":"American Chemical Society (ACS)","page":"4357-4366","status":"public","oa":"1","project":[{"name":"TRR 142 - B09: TRR 142 - Effiziente Erzeugung mit maßgeschneiderter optischer Phaselage der zweiten Harmonischen mittels Quasi-gebundener Zustände in GaAs Metaoberflächen (B09*)","_id":"170","grant_number":"231447078"},{"name":"TRR 142 - B: TRR 142 - Project Area B","_id":"55"},{"grant_number":"231447078","_id":"53","name":"TRR 142: TRR 142 - Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen"}],"quality_controlled":"1","citation":{"ieee":"B. Liu et al., “Nonlinear Dielectric Geometric-Phase Metasurface with Simultaneous Structure and Lattice Symmetry Design,” ACS Photonics, vol. 10, no. 12, pp. 4357–4366, 2023, doi: 10.1021/acsphotonics.3c01163.","apa":"Liu, B., Geromel, R., Su, Z., Guo, K., Wang, Y., Guo, Z., Huang, L., & Zentgraf, T. (2023). Nonlinear Dielectric Geometric-Phase Metasurface with Simultaneous Structure and Lattice Symmetry Design. ACS Photonics, 10(12), 4357–4366. https://doi.org/10.1021/acsphotonics.3c01163","short":"B. Liu, R. Geromel, Z. Su, K. Guo, Y. Wang, Z. Guo, L. Huang, T. Zentgraf, ACS Photonics 10 (2023) 4357–4366.","chicago":"Liu, Bingyi, René Geromel, Zhaoxian Su, Kai Guo, Yongtian Wang, Zhongyi Guo, Lingling Huang, and Thomas Zentgraf. “Nonlinear Dielectric Geometric-Phase Metasurface with Simultaneous Structure and Lattice Symmetry Design.” ACS Photonics 10, no. 12 (2023): 4357–66. https://doi.org/10.1021/acsphotonics.3c01163.","mla":"Liu, Bingyi, et al. “Nonlinear Dielectric Geometric-Phase Metasurface with Simultaneous Structure and Lattice Symmetry Design.” ACS Photonics, vol. 10, no. 12, American Chemical Society (ACS), 2023, pp. 4357–66, doi:10.1021/acsphotonics.3c01163.","bibtex":"@article{Liu_Geromel_Su_Guo_Wang_Guo_Huang_Zentgraf_2023, title={Nonlinear Dielectric Geometric-Phase Metasurface with Simultaneous Structure and Lattice Symmetry Design}, volume={10}, DOI={10.1021/acsphotonics.3c01163}, number={12}, journal={ACS Photonics}, publisher={American Chemical Society (ACS)}, author={Liu, Bingyi and Geromel, René and Su, Zhaoxian and Guo, Kai and Wang, Yongtian and Guo, Zhongyi and Huang, Lingling and Zentgraf, Thomas}, year={2023}, pages={4357–4366} }","ama":"Liu B, Geromel R, Su Z, et al. Nonlinear Dielectric Geometric-Phase Metasurface with Simultaneous Structure and Lattice Symmetry Design. ACS Photonics. 2023;10(12):4357-4366. doi:10.1021/acsphotonics.3c01163"}},{"abstract":[{"lang":"eng","text":"Batteries based on heavier alkali ions are considered promising candidates to substitute for current Li-based technologies. In this theoretical study, we characterize the structural properties of a novel material, i.e., F-doped RbTiOPO4 (RbTiPO4F, RTP:F), and discuss aspects of its electrochemical performance in Rb-ion batteries (RIBs) using density functional theory (DFT). According to our calculations, RTP:F is expected to retain the so-called KTiOPO4 (KTP)-type structure, with lattice parameters of 13.236 Å, 6.616 Å, and 10.945 Å. Due to the doping with F, the crystal features eight extra electrons per unit cell, whereby each of these electrons is trapped by one of the surrounding Ti atoms in the cell. Notably, the ground state of the system corresponds to a ferromagnetic spin configuration (i.e., S=4). The deintercalation of Rb leads to the oxidation of the Ti atoms in the cell (i.e., from Ti3+ to Ti4+) and to reduced magnetic moments. The material promises interesting electrochemical properties for the cathode: rather high average voltages above 2.8 V and modest volume shrinkages below 13% even in the fully deintercalated case are predicted."}],"publication":"Crystals","issue":"1","type":"journal_article","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"790"},{"_id":"230"},{"_id":"429"},{"_id":"27"}],"date_created":"2024-06-24T06:21:04Z","date_updated":"2024-06-24T06:30:13Z","publication_status":"published","intvolume":" 14","title":"Structural and Electrochemical Properties of F-Doped RbTiOPO4 (RTP:F) Predicted from First Principles","year":"2023","publication_identifier":{"issn":["2073-4352"]},"author":[{"last_name":"Bocchini","orcid":"0000-0002-2134-3075","first_name":"Adriana","full_name":"Bocchini, Adriana","id":"58349"},{"last_name":"Xie","first_name":"Yingjie","full_name":"Xie, Yingjie"},{"id":"468","orcid":"0000-0002-2717-5076","last_name":"Schmidt","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"}],"doi":"10.3390/cryst14010005","article_number":"5","language":[{"iso":"eng"}],"project":[{"name":"TRR 142: TRR 142 - Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen","grant_number":"231447078","_id":"53"},{"name":"TRR 142 - A: TRR 142 - Project Area A","_id":"54"},{"name":"TRR 142 - B: TRR 142 - Project Area B","_id":"55"},{"name":"TRR 142 - A11: TRR 142 - Subproject A11","_id":"166"},{"grant_number":"231447078","_id":"168","name":"TRR 142 - B07: TRR 142 - Polaronen-Einfluss auf die optischen Eigenschaften von Lithiumniobat (B07*)"},{"_id":"52","name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"citation":{"apa":"Bocchini, A., Xie, Y., Schmidt, W. G., & Gerstmann, U. (2023). Structural and Electrochemical Properties of F-Doped RbTiOPO4 (RTP:F) Predicted from First Principles. Crystals, 14(1), Article 5. https://doi.org/10.3390/cryst14010005","ieee":"A. Bocchini, Y. Xie, W. G. Schmidt, and U. Gerstmann, “Structural and Electrochemical Properties of F-Doped RbTiOPO4 (RTP:F) Predicted from First Principles,” Crystals, vol. 14, no. 1, Art. no. 5, 2023, doi: 10.3390/cryst14010005.","short":"A. Bocchini, Y. Xie, W.G. Schmidt, U. Gerstmann, Crystals 14 (2023).","chicago":"Bocchini, Adriana, Yingjie Xie, Wolf Gero Schmidt, and Uwe Gerstmann. “Structural and Electrochemical Properties of F-Doped RbTiOPO4 (RTP:F) Predicted from First Principles.” Crystals 14, no. 1 (2023). https://doi.org/10.3390/cryst14010005.","mla":"Bocchini, Adriana, et al. “Structural and Electrochemical Properties of F-Doped RbTiOPO4 (RTP:F) Predicted from First Principles.” Crystals, vol. 14, no. 1, 5, MDPI AG, 2023, doi:10.3390/cryst14010005.","ama":"Bocchini A, Xie Y, Schmidt WG, Gerstmann U. Structural and Electrochemical Properties of F-Doped RbTiOPO4 (RTP:F) Predicted from First Principles. Crystals. 2023;14(1). doi:10.3390/cryst14010005","bibtex":"@article{Bocchini_Xie_Schmidt_Gerstmann_2023, title={Structural and Electrochemical Properties of F-Doped RbTiOPO4 (RTP:F) Predicted from First Principles}, volume={14}, DOI={10.3390/cryst14010005}, number={15}, journal={Crystals}, publisher={MDPI AG}, author={Bocchini, Adriana and Xie, Yingjie and Schmidt, Wolf Gero and Gerstmann, Uwe}, year={2023} }"},"status":"public","user_id":"16199","volume":14,"publisher":"MDPI AG","_id":"54854"},{"citation":{"bibtex":"@article{Farheen_Strauch_Scheytt_Myroshnychenko_Förstner_2023, title={Optimized, Highly Efficient Silicon Antennas for Optical Phased Arrays}, volume={58}, DOI={10.1016/j.photonics.2023.101207}, journal={Photonics and Nanostructures - Fundamentals and Applications}, publisher={Elsevier BV}, author={Farheen, Henna and Strauch, Andreas and Scheytt, J. Christoph and Myroshnychenko, Viktor and Förstner, Jens}, year={2023}, pages={101207} }","ama":"Farheen H, Strauch A, Scheytt JC, Myroshnychenko V, Förstner J. Optimized, Highly Efficient Silicon Antennas for Optical Phased Arrays. Photonics and Nanostructures - Fundamentals and Applications. 2023;58:101207. doi:10.1016/j.photonics.2023.101207","mla":"Farheen, Henna, et al. “Optimized, Highly Efficient Silicon Antennas for Optical Phased Arrays.” Photonics and Nanostructures - Fundamentals and Applications, vol. 58, Elsevier BV, 2023, p. 101207, doi:10.1016/j.photonics.2023.101207.","chicago":"Farheen, Henna, Andreas Strauch, J. Christoph Scheytt, Viktor Myroshnychenko, and Jens Förstner. “Optimized, Highly Efficient Silicon Antennas for Optical Phased Arrays.” Photonics and Nanostructures - Fundamentals and Applications 58 (2023): 101207. https://doi.org/10.1016/j.photonics.2023.101207.","short":"H. Farheen, A. Strauch, J.C. Scheytt, V. Myroshnychenko, J. Förstner, Photonics and Nanostructures - Fundamentals and Applications 58 (2023) 101207.","ieee":"H. Farheen, A. Strauch, J. C. Scheytt, V. Myroshnychenko, and J. Förstner, “Optimized, Highly Efficient Silicon Antennas for Optical Phased Arrays,” Photonics and Nanostructures - Fundamentals and Applications, vol. 58, p. 101207, 2023, doi: 10.1016/j.photonics.2023.101207.","apa":"Farheen, H., Strauch, A., Scheytt, J. C., Myroshnychenko, V., & Förstner, J. (2023). Optimized, Highly Efficient Silicon Antennas for Optical Phased Arrays. Photonics and Nanostructures - Fundamentals and Applications, 58, 101207. https://doi.org/10.1016/j.photonics.2023.101207"},"file_date_updated":"2023-12-21T09:34:17Z","project":[{"grant_number":"PROFILNRW-2020-067","_id":"266","name":"PhoQC: PhoQC: Photonisches Quantencomputing"},{"name":"TRR 142 - B06: TRR 142 - Ultraschnelle kohärente opto-elektronische Kontrolle eines photonischen Quantensystems (B06*)","grant_number":"231447078","_id":"167"},{"name":"TRR 142 - B: TRR 142 - Project Area B","_id":"55"},{"_id":"52","name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"oa":"1","status":"public","has_accepted_license":"1","_id":"50012","publisher":"Elsevier BV","page":"101207","volume":58,"user_id":"158","ddc":["530"],"publication":"Photonics and Nanostructures - Fundamentals and Applications","related_material":{"link":[{"relation":"research_data","url":"https://doi.org/10.5281/zenodo.10044122"}]},"abstract":[{"text":"Silicon photonics, in conjunction with complementary metal-oxide-semiconductor (CMOS) fabrication, has greatly enhanced the development of integrated optical phased arrays. This facilitates a dynamic control of light in a compact form factor that enables the synthesis of arbitrary complex wavefronts in the infrared spectrum. We numerically demonstrate a large-scale two-dimensional silicon-based optical phased array (OPA) composed of nanoantennas with circular gratings that are balanced in power and aligned in phase, required for producing elegant radiation patterns in the far-field. For a wavelength of 1.55 μm, we optimize two antennas for the OPA exhibiting an upward radiation efficiency as high as 90%, with almost 6.8% of optical power concentrated in the field of view. Additionally, we believe that the proposed OPAs can be easily fabricated and would have the ability to generate complex holographic images, rendering them an attractive candidate for a wide range of applications like LiDAR sensors, optical trapping, optogenetic stimulation, and augmented-reality displays.","lang":"eng"}],"date_created":"2023-12-21T09:30:03Z","file":[{"creator":"fossie","date_created":"2023-12-21T09:34:17Z","access_level":"open_access","file_size":3339442,"file_name":"2ß23-12 Farheen - PNFA - Optimized, highly efficient silicon antennas for optical phased arrays.pdf","date_updated":"2023-12-21T09:34:17Z","relation":"main_file","content_type":"application/pdf","file_id":"50013"}],"department":[{"_id":"61"},{"_id":"230"},{"_id":"429"},{"_id":"58"}],"type":"journal_article","keyword":["tet_topic_opticalantenna"],"publication_identifier":{"issn":["1569-4410"]},"author":[{"id":"53444","last_name":"Farheen","first_name":"Henna","orcid":"0000-0001-7730-3489","full_name":"Farheen, Henna"},{"full_name":"Strauch, Andreas","first_name":"Andreas","last_name":"Strauch"},{"orcid":"0000-0002-5950-6618 ","first_name":"J. Christoph","last_name":"Scheytt","full_name":"Scheytt, J. Christoph","id":"37144"},{"first_name":"Viktor","last_name":"Myroshnychenko","full_name":"Myroshnychenko, Viktor","id":"46371"},{"full_name":"Förstner, Jens","first_name":"Jens","orcid":"0000-0001-7059-9862","last_name":"Förstner","id":"158"}],"title":"Optimized, Highly Efficient Silicon Antennas for Optical Phased Arrays","year":"2023","intvolume":" 58","publication_status":"published","date_updated":"2024-07-22T07:44:33Z","language":[{"iso":"eng"}],"doi":"10.1016/j.photonics.2023.101207"}]