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Quasiparticle and excitonic effects in the optical response of KNbO3. <i>Physical Review Materials</i>. 2019;3(5). doi:<a href=\"https://doi.org/10.1103/PhysRevMaterials.3.054401\">10.1103/PhysRevMaterials.3.054401</a>","ieee":"F. Schmidt <i>et al.</i>, “Quasiparticle and excitonic effects in the optical response of KNbO3,” <i>Physical Review Materials</i>, vol. 3, no. 5, Art. no. 054401, 2019, doi: <a href=\"https://doi.org/10.1103/PhysRevMaterials.3.054401\">10.1103/PhysRevMaterials.3.054401</a>.","chicago":"Schmidt, Falko, Arthur Riefer, Wolf Gero Schmidt, Arno Schindlmayr, Mirco Imlau, Florian Dobener, Nils Mengel, Sangam Chatterjee, and Simone Sanna. “Quasiparticle and Excitonic Effects in the Optical Response of KNbO3.” <i>Physical Review Materials</i> 3, no. 5 (2019). <a href=\"https://doi.org/10.1103/PhysRevMaterials.3.054401\">https://doi.org/10.1103/PhysRevMaterials.3.054401</a>.","apa":"Schmidt, F., Riefer, A., Schmidt, W. G., Schindlmayr, A., Imlau, M., Dobener, F., Mengel, N., Chatterjee, S., &#38; Sanna, S. (2019). Quasiparticle and excitonic effects in the optical response of KNbO3. <i>Physical Review Materials</i>, <i>3</i>(5), Article 054401. <a href=\"https://doi.org/10.1103/PhysRevMaterials.3.054401\">https://doi.org/10.1103/PhysRevMaterials.3.054401</a>","mla":"Schmidt, Falko, et al. “Quasiparticle and Excitonic Effects in the Optical Response of KNbO3.” <i>Physical Review Materials</i>, vol. 3, no. 5, 054401, American Physical Society, 2019, doi:<a href=\"https://doi.org/10.1103/PhysRevMaterials.3.054401\">10.1103/PhysRevMaterials.3.054401</a>.","bibtex":"@article{Schmidt_Riefer_Schmidt_Schindlmayr_Imlau_Dobener_Mengel_Chatterjee_Sanna_2019, title={Quasiparticle and excitonic effects in the optical response of KNbO3}, volume={3}, DOI={<a href=\"https://doi.org/10.1103/PhysRevMaterials.3.054401\">10.1103/PhysRevMaterials.3.054401</a>}, number={5054401}, journal={Physical Review Materials}, publisher={American Physical Society}, author={Schmidt, Falko and Riefer, Arthur and Schmidt, Wolf Gero and Schindlmayr, Arno and Imlau, Mirco and Dobener, Florian and Mengel, Nils and Chatterjee, Sangam and Sanna, Simone}, year={2019} }","short":"F. Schmidt, A. Riefer, W.G. Schmidt, A. Schindlmayr, M. Imlau, F. Dobener, N. Mengel, S. Chatterjee, S. Sanna, Physical Review Materials 3 (2019)."},"has_accepted_license":"1","publication_identifier":{"eissn":["2475-9953"]},"publication_status":"published","doi":"10.1103/PhysRevMaterials.3.054401","volume":3,"author":[{"id":"35251","full_name":"Schmidt, Falko","orcid":"0000-0002-5071-5528","last_name":"Schmidt","first_name":"Falko"},{"first_name":"Arthur","last_name":"Riefer","full_name":"Riefer, Arthur"},{"first_name":"Wolf Gero","id":"468","full_name":"Schmidt, Wolf Gero","last_name":"Schmidt","orcid":"0000-0002-2717-5076"},{"full_name":"Schindlmayr, Arno","id":"458","last_name":"Schindlmayr","orcid":"0000-0002-4855-071X","first_name":"Arno"},{"full_name":"Imlau, Mirco","last_name":"Imlau","first_name":"Mirco"},{"last_name":"Dobener","full_name":"Dobener, Florian","first_name":"Florian"},{"full_name":"Mengel, Nils","last_name":"Mengel","first_name":"Nils"},{"full_name":"Chatterjee, Sangam","last_name":"Chatterjee","first_name":"Sangam"},{"first_name":"Simone","last_name":"Sanna","full_name":"Sanna, Simone"}],"oa":"1","date_updated":"2023-04-20T14:20:33Z","file":[{"relation":"main_file","content_type":"application/pdf","title":"Quasiparticle and excitonic effects in the optical response of KNbO3","description":"© 2019 American Physical Society","file_size":1949504,"file_name":"PhysRevMaterials.3.054401.pdf","file_id":"18465","access_level":"open_access","date_updated":"2020-08-30T14:34:33Z","creator":"schindlm","date_created":"2020-08-27T19:05:54Z"}],"abstract":[{"lang":"eng","text":"The cubic, tetragonal, and orthorhombic phase of potassium niobate (KNbO3) are studied based on density-functional theory. Starting from the relaxed atomic geometries, we analyze the influence of self-energy corrections on the electronic band structure within the GW approximation. We find that quasiparticle shifts widen the direct (indirect) band gap by 1.21 (1.44), 1.58 (1.55), and 1.67 (1.64) eV for the cubic, tetragonal, and orthorhombic phase, respectively. By solving the Bethe-Salpeter equation, we obtain the linear dielectric function with excitonic and local-field effects, which turn out to be essential for good agreement with experimental data. From our results, we extract an exciton binding energy of 0.6, 0.5, and 0.5 eV for the cubic, tetragonal, and orthorhombic phase, respectively. Furthermore, we investigate the nonlinear second-harmonic generation (SHG) both theoretically and experimentally. The frequency-dependent second-order polarization tensor of orthorhombic KNbO3 is measured for incoming photon energies between 1.2 and 1.6 eV. In addition, calculations within the independent-(quasi)particle approximation are performed for the tetragonal and orthorhombic phase. The novel experimental data are in excellent agreement with the quasiparticle calculations and resolve persistent discrepancies between earlier experimental measurements and ab initio results reported in the literature."}],"publication":"Physical Review Materials","language":[{"iso":"eng"}],"ddc":["530"],"external_id":{"isi":["000467044000003"]},"year":"2019","issue":"5","quality_controlled":"1","title":"Quasiparticle and excitonic effects in the optical response of KNbO3","date_created":"2019-05-29T06:55:29Z","publisher":"American Physical Society"},{"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","date_created":"2022-02-03T15:26:06Z","publisher":"American Physical Society (APS)","year":"2019","issue":"15","language":[{"iso":"eng"}],"publication":"Physical Review B","doi":"10.1103/physrevb.99.155107","author":[{"full_name":"Nicholson, C. W.","last_name":"Nicholson","first_name":"C. W."},{"first_name":"M.","last_name":"Puppin","full_name":"Puppin, M."},{"last_name":"Lücke","full_name":"Lücke, A.","first_name":"A."},{"first_name":"Uwe","id":"171","full_name":"Gerstmann, Uwe","orcid":"0000-0002-4476-223X","last_name":"Gerstmann"},{"full_name":"Krenz, Marvin","id":"52309","last_name":"Krenz","first_name":"Marvin"},{"first_name":"Wolf Gero","full_name":"Schmidt, Wolf Gero","id":"468","last_name":"Schmidt","orcid":"0000-0002-2717-5076"},{"first_name":"L.","last_name":"Rettig","full_name":"Rettig, L."},{"last_name":"Ernstorfer","full_name":"Ernstorfer, R.","first_name":"R."},{"first_name":"M.","full_name":"Wolf, M.","last_name":"Wolf"}],"volume":99,"date_updated":"2023-04-20T14:22:46Z","citation":{"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).","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} }","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>","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>."},"intvolume":"        99","publication_status":"published","publication_identifier":{"issn":["2469-9950","2469-9969"]},"article_number":"155107","user_id":"16199","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"230"},{"_id":"35"}],"project":[{"_id":"52","name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing"},{"_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"}],"_id":"29746","status":"public","type":"journal_article"},{"funded_apc":"1","language":[{"iso":"eng"}],"project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"},{"_id":"53","name":"TRR 142"},{"_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"}],"_id":"10015","user_id":"16199","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"}],"status":"public","type":"journal_article","publication":"ACS Omega","title":"Water Splitting Reaction at Polar Lithium Niobate Surfaces","doi":"10.1021/acsomega.8b03271","date_updated":"2023-04-20T14:21:28Z","author":[{"first_name":"Christof","last_name":"Dues","full_name":"Dues, Christof"},{"first_name":"Wolf Gero","id":"468","full_name":"Schmidt, Wolf Gero","last_name":"Schmidt","orcid":"0000-0002-2717-5076"},{"full_name":"Sanna, Simone","last_name":"Sanna","first_name":"Simone"}],"date_created":"2019-05-29T07:15:06Z","year":"2019","citation":{"ama":"Dues C, Schmidt WG, Sanna S. Water Splitting Reaction at Polar Lithium Niobate Surfaces. <i>ACS Omega</i>. Published online 2019:3850-3859. doi:<a href=\"https://doi.org/10.1021/acsomega.8b03271\">10.1021/acsomega.8b03271</a>","chicago":"Dues, Christof, Wolf Gero Schmidt, and Simone Sanna. “Water Splitting Reaction at Polar Lithium Niobate Surfaces.” <i>ACS Omega</i>, 2019, 3850–59. <a href=\"https://doi.org/10.1021/acsomega.8b03271\">https://doi.org/10.1021/acsomega.8b03271</a>.","ieee":"C. Dues, W. G. Schmidt, and S. Sanna, “Water Splitting Reaction at Polar Lithium Niobate Surfaces,” <i>ACS Omega</i>, pp. 3850–3859, 2019, doi: <a href=\"https://doi.org/10.1021/acsomega.8b03271\">10.1021/acsomega.8b03271</a>.","apa":"Dues, C., Schmidt, W. G., &#38; Sanna, S. (2019). Water Splitting Reaction at Polar Lithium Niobate Surfaces. <i>ACS Omega</i>, 3850–3859. <a href=\"https://doi.org/10.1021/acsomega.8b03271\">https://doi.org/10.1021/acsomega.8b03271</a>","bibtex":"@article{Dues_Schmidt_Sanna_2019, title={Water Splitting Reaction at Polar Lithium Niobate Surfaces}, DOI={<a href=\"https://doi.org/10.1021/acsomega.8b03271\">10.1021/acsomega.8b03271</a>}, journal={ACS Omega}, author={Dues, Christof and Schmidt, Wolf Gero and Sanna, Simone}, year={2019}, pages={3850–3859} }","short":"C. Dues, W.G. Schmidt, S. 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(2019). Mode-independent quantum entanglement for light. <i>Physical Review A</i>. <a href=\"https://doi.org/10.1103/physreva.100.062129\">https://doi.org/10.1103/physreva.100.062129</a>","bibtex":"@article{Sperling_Perez-Leija_Busch_Silberhorn_2019, title={Mode-independent quantum entanglement for light}, DOI={<a href=\"https://doi.org/10.1103/physreva.100.062129\">10.1103/physreva.100.062129</a>}, journal={Physical Review A}, author={Sperling, Jan and Perez-Leija, Armando and Busch, Kurt and Silberhorn, Christine}, year={2019} }","mla":"Sperling, Jan, et al. “Mode-Independent Quantum Entanglement for Light.” <i>Physical Review A</i>, 2019, doi:<a href=\"https://doi.org/10.1103/physreva.100.062129\">10.1103/physreva.100.062129</a>.","short":"J. Sperling, A. Perez-Leija, K. Busch, C. Silberhorn, Physical Review A (2019).","ama":"Sperling J, Perez-Leija A, Busch K, Silberhorn C. Mode-independent quantum entanglement for light. <i>Physical Review A</i>. 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Silberhorn, “Mode-independent quantum entanglement for light,” <i>Physical Review A</i>, 2019, doi: <a href=\"https://doi.org/10.1103/physreva.100.062129\">10.1103/physreva.100.062129</a>."},"_id":"26296","user_id":"16199","department":[{"_id":"288"},{"_id":"706"},{"_id":"35"},{"_id":"15"},{"_id":"170"}],"language":[{"iso":"eng"}],"type":"journal_article","publication":"Physical Review A","status":"public"},{"status":"public","abstract":[{"text":"<jats:p>An integrated chip with quantum state generation, active polarization manipulation, and precise time control is demonstrated.</jats:p>","lang":"eng"}],"type":"journal_article","publication":"Science Advances","language":[{"iso":"eng"}],"keyword":["Multidisciplinary"],"user_id":"16199","department":[{"_id":"15"},{"_id":"569"},{"_id":"170"},{"_id":"293"},{"_id":"230"},{"_id":"623"},{"_id":"429"},{"_id":"35"}],"project":[{"_id":"53","name":"TRR 142: TRR 142"},{"name":"TRR 142 - C: TRR 142 - Project Area C","_id":"56"},{"name":"TRR 142 - C2: TRR 142 - Subproject C2","_id":"72"},{"_id":"52","name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"_id":"37288","citation":{"chicago":"Luo, Kai-Hong, Sebastian Brauner, Christof Eigner, Polina Sharapova, Raimund Ricken, Torsten Meier, Harald Herrmann, and Christine Silberhorn. “Nonlinear Integrated Quantum Electro-Optic Circuits.” <i>Science Advances</i> 5, no. 1 (2019). <a href=\"https://doi.org/10.1126/sciadv.aat1451\">https://doi.org/10.1126/sciadv.aat1451</a>.","ieee":"K.-H. 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