{"date_created":"2024-06-24T05:59:11Z","date_updated":"2024-06-24T06:02:58Z","status":"public","_id":"54849","abstract":[{"text":"<jats:sec><jats:label /><jats:p>The third‐order susceptibility  of lithium niobate (LiNbO<jats:sub>3</jats:sub>) is calculated within a Berry‐phase formulation of the dynamical polarization based on the electronic structure obtained within density‐functional theory (DFT). Maximum  values of the order of  m V are calculated for photon energies between 1.2 and 2 eV, i.e., in the lower half of the optical bandgap of lithium niobate. Both free and bound electron (bi)polarons are found to lead to a remarkable enhancement of the third‐order susceptibility for photon energies below 1 eV.</jats:p></jats:sec>","lang":"eng"}],"intvolume":"       260","type":"journal_article","language":[{"iso":"eng"}],"user_id":"16199","publication_status":"published","title":"Third‐Order Susceptibility of Lithium Niobate: Influence of Polarons and Bipolarons","year":"2022","project":[{"grant_number":"231447078","_id":"53","name":"TRR 142: TRR 142 - Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen"},{"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"}],"doi":"10.1002/pssb.202200453","citation":{"short":"A.L. Kozub, U. Gerstmann, W.G. Schmidt, Physica Status Solidi (b) 260 (2022).","ama":"Kozub AL, Gerstmann U, Schmidt WG. Third‐Order Susceptibility of Lithium Niobate: Influence of Polarons and Bipolarons. <i>physica status solidi (b)</i>. 2022;260(2). doi:<a href=\"https://doi.org/10.1002/pssb.202200453\">10.1002/pssb.202200453</a>","apa":"Kozub, A. L., Gerstmann, U., &#38; Schmidt, W. G. (2022). Third‐Order Susceptibility of Lithium Niobate: Influence of Polarons and Bipolarons. <i>Physica Status Solidi (b)</i>, <i>260</i>(2). <a href=\"https://doi.org/10.1002/pssb.202200453\">https://doi.org/10.1002/pssb.202200453</a>","ieee":"A. L. Kozub, U. Gerstmann, and W. G. Schmidt, “Third‐Order Susceptibility of Lithium Niobate: Influence of Polarons and Bipolarons,” <i>physica status solidi (b)</i>, vol. 260, no. 2, 2022, doi: <a href=\"https://doi.org/10.1002/pssb.202200453\">10.1002/pssb.202200453</a>.","chicago":"Kozub, Agnieszka L., Uwe Gerstmann, and Wolf Gero Schmidt. “Third‐Order Susceptibility of Lithium Niobate: Influence of Polarons and Bipolarons.” <i>Physica Status Solidi (b)</i> 260, no. 2 (2022). <a href=\"https://doi.org/10.1002/pssb.202200453\">https://doi.org/10.1002/pssb.202200453</a>.","mla":"Kozub, Agnieszka L., et al. “Third‐Order Susceptibility of Lithium Niobate: Influence of Polarons and Bipolarons.” <i>Physica Status Solidi (b)</i>, vol. 260, no. 2, Wiley, 2022, doi:<a href=\"https://doi.org/10.1002/pssb.202200453\">10.1002/pssb.202200453</a>.","bibtex":"@article{Kozub_Gerstmann_Schmidt_2022, title={Third‐Order Susceptibility of Lithium Niobate: Influence of Polarons and Bipolarons}, volume={260}, DOI={<a href=\"https://doi.org/10.1002/pssb.202200453\">10.1002/pssb.202200453</a>}, number={2}, journal={physica status solidi (b)}, publisher={Wiley}, author={Kozub, Agnieszka L. and Gerstmann, Uwe and Schmidt, Wolf Gero}, year={2022} }"},"publication":"physica status solidi (b)","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"790"},{"_id":"230"},{"_id":"429"},{"_id":"27"}],"publisher":"Wiley","author":[{"first_name":"Agnieszka L.","full_name":"Kozub, Agnieszka L.","last_name":"Kozub"},{"id":"171","orcid":"0000-0002-4476-223X","first_name":"Uwe","full_name":"Gerstmann, Uwe","last_name":"Gerstmann"},{"full_name":"Schmidt, Wolf Gero","last_name":"Schmidt","first_name":"Wolf Gero","orcid":"0000-0002-2717-5076","id":"468"}],"issue":"2","volume":260,"publication_identifier":{"issn":["0370-1972","1521-3951"]}}