{"author":[{"first_name":"Sergej","full_name":"Neufeld, Sergej","last_name":"Neufeld","id":"23261"},{"first_name":"Adriana","orcid":"https://orcid.org/0000-0002-2134-3075","last_name":"Bocchini","id":"58349","full_name":"Bocchini, Adriana"},{"orcid":"0000-0002-4476-223X","first_name":"Uwe","last_name":"Gerstmann","id":"171","full_name":"Gerstmann, Uwe"},{"orcid":"0000-0002-4855-071X","first_name":"Arno","id":"458","last_name":"Schindlmayr","full_name":"Schindlmayr, Arno"},{"id":"468","last_name":"Schmidt","full_name":"Schmidt, Wolf Gero","orcid":"0000-0002-2717-5076","first_name":"Wolf Gero"}],"publisher":"IOP Publishing","status":"public","intvolume":"         2","year":"2019","user_id":"171","external_id":{"isi":["000560410300003"]},"citation":{"chicago":"Neufeld, Sergej, Adriana Bocchini, Uwe Gerstmann, Arno Schindlmayr, and Wolf Gero Schmidt. “Potassium Titanyl Phosphate (KTP) Quasiparticle Energies and Optical Response.” <i>Journal of Physics: Materials</i> 2 (2019): 045003. <a href=\"https://doi.org/10.1088/2515-7639/ab29ba\">https://doi.org/10.1088/2515-7639/ab29ba</a>.","short":"S. Neufeld, A. Bocchini, U. Gerstmann, A. Schindlmayr, W.G. Schmidt, Journal of Physics: Materials 2 (2019) 045003.","bibtex":"@article{Neufeld_Bocchini_Gerstmann_Schindlmayr_Schmidt_2019, title={Potassium titanyl phosphate (KTP) quasiparticle energies and optical response}, volume={2}, DOI={<a href=\"https://doi.org/10.1088/2515-7639/ab29ba\">10.1088/2515-7639/ab29ba</a>}, journal={Journal of Physics: Materials}, publisher={IOP Publishing}, author={Neufeld, Sergej and Bocchini, Adriana and Gerstmann, Uwe and Schindlmayr, Arno and Schmidt, Wolf Gero}, year={2019}, pages={045003} }","apa":"Neufeld, S., Bocchini, A., Gerstmann, U., Schindlmayr, A., &#38; Schmidt, W. G. (2019). Potassium titanyl phosphate (KTP) quasiparticle energies and optical response. <i>Journal of Physics: Materials</i>, <i>2</i>, 045003. <a href=\"https://doi.org/10.1088/2515-7639/ab29ba\">https://doi.org/10.1088/2515-7639/ab29ba</a>","ama":"Neufeld S, Bocchini A, Gerstmann U, Schindlmayr A, Schmidt WG. Potassium titanyl phosphate (KTP) quasiparticle energies and optical response. <i>Journal of Physics: Materials</i>. 2019;2:045003. doi:<a href=\"https://doi.org/10.1088/2515-7639/ab29ba\">10.1088/2515-7639/ab29ba</a>","mla":"Neufeld, Sergej, et al. “Potassium Titanyl Phosphate (KTP) Quasiparticle Energies and Optical Response.” <i>Journal of Physics: Materials</i>, vol. 2, IOP Publishing, 2019, p. 045003, doi:<a href=\"https://doi.org/10.1088/2515-7639/ab29ba\">10.1088/2515-7639/ab29ba</a>.","ieee":"S. Neufeld, A. Bocchini, U. Gerstmann, A. Schindlmayr, and W. G. Schmidt, “Potassium titanyl phosphate (KTP) quasiparticle energies and optical response,” <i>Journal of Physics: Materials</i>, vol. 2, p. 045003, 2019, doi: <a href=\"https://doi.org/10.1088/2515-7639/ab29ba\">10.1088/2515-7639/ab29ba</a>."},"title":"Potassium titanyl phosphate (KTP) quasiparticle energies and optical response","_id":"13365","publication_identifier":{"eissn":["2515-7639"]},"department":[{"_id":"296"},{"_id":"295"},{"_id":"230"},{"_id":"429"},{"_id":"170"},{"_id":"35"}],"volume":2,"license":"https://creativecommons.org/licenses/by/3.0/","language":[{"iso":"eng"}],"article_type":"original","type":"journal_article","date_updated":"2023-04-21T11:36:12Z","publication":"Journal of Physics: Materials","quality_controlled":"1","abstract":[{"text":"The KTiOPO4 (KTP) band structure and dielectric function are calculated on various levels of theory starting from density-functional calculations. Within the independent-particle approximation an electronic transport gap of 2.97 eV is obtained that widens to about 5.23 eV when quasiparticle effects are included using the GW approximation. The optical response is shown to be strongly anisotropic due to (i) the slight asymmetry of the TiO6 octahedra in the (001) plane and (ii) their anisotropic distribution along the [001] and [100] directions. In addition, excitonic effects are very important: The solution of the Bethe–Salpeter equation indicates exciton binding energies of the order of 1.5 eV. Calculations that include both quasiparticle and excitonic effects are in good agreement with the measured reflectivity.","lang":"eng"}],"oa":"1","project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"},{"name":"TRR 142","_id":"53"},{"_id":"55","name":"TRR 142 - Project Area B"},{"name":"TRR 142 - Subproject B4","_id":"69"},{"name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"has_accepted_license":"1","date_created":"2019-09-19T14:34:16Z","file_date_updated":"2020-08-30T14:29:27Z","publication_status":"published","isi":"1","ddc":["530"],"page":"045003","file":[{"file_id":"18535","file_name":"Neufeld_2019_J._Phys._Mater._2_045003.pdf","content_type":"application/pdf","access_level":"open_access","relation":"main_file","title":"Potassium titanyl phosphate (KTP) quasiparticle energies and optical response","description":"Creative Commons Attribution 3.0 Unported Public License (CC BY 3.0)","date_created":"2020-08-28T09:07:18Z","date_updated":"2020-08-30T14:29:27Z","file_size":1481174,"creator":"schindlm"}],"doi":"10.1088/2515-7639/ab29ba"}