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High-precision determination of silicon nanocrystals: optical spectroscopy versus electron microscopy. <i>Semiconductor Science and Technology</i>, <i>34</i>(9). <a href=\"https://doi.org/10.1088/1361-6641/ab3536\">https://doi.org/10.1088/1361-6641/ab3536</a>"},"project":[{"name":"TRR 142","_id":"53"},{"name":"TRR 142 - Project Area B","_id":"55"},{"name":"TRR 142 - Subproject B1","_id":"66"},{"_id":"56","name":"TRR 142 - Project Area C"},{"name":"TRR 142 - Subproject C5","_id":"75"}]},{"publication_identifier":{"issn":["2469-9950","2469-9969"]},"author":[{"full_name":"Vondran, J.","first_name":"J.","last_name":"Vondran"},{"last_name":"Spitzer","first_name":"F.","full_name":"Spitzer, F."},{"last_name":"Bayer","first_name":"M.","full_name":"Bayer, M."},{"first_name":"I. A.","last_name":"Akimov","full_name":"Akimov, I. A."},{"id":"38163","first_name":"Alexander","last_name":"Trautmann","full_name":"Trautmann, Alexander"},{"full_name":"Reichelt, Matthias","first_name":"Matthias","last_name":"Reichelt","id":"138"},{"full_name":"Meier, Cedrik","orcid":"https://orcid.org/0000-0002-3787-3572","first_name":"Cedrik","last_name":"Meier","id":"20798"},{"last_name":"Weber","first_name":"N.","full_name":"Weber, N."},{"id":"344","last_name":"Meier","orcid":"0000-0001-8864-2072","first_name":"Torsten","full_name":"Meier, Torsten"},{"full_name":"André, R.","first_name":"R.","last_name":"André"},{"full_name":"Mariette, H.","last_name":"Mariette","first_name":"H."}],"title":"Spatially asymmetric transients of propagating exciton-polariton modes in a planar CdZnTe/CdMgTe guiding structure","year":"2019","intvolume":"       100","publication_status":"published","date_updated":"2023-04-16T01:54:53Z","language":[{"iso":"eng"}],"doi":"10.1103/physrevb.100.155308","publication":"Physical Review B","issue":"15","date_created":"2019-11-05T13:30:07Z","department":[{"_id":"15"},{"_id":"230"},{"_id":"287"},{"_id":"35"},{"_id":"293"},{"_id":"170"},{"_id":"429"}],"type":"journal_article","status":"public","_id":"14544","page":"155308","volume":100,"user_id":"49063","citation":{"mla":"Vondran, J., et al. “Spatially Asymmetric Transients of Propagating Exciton-Polariton Modes in a Planar CdZnTe/CdMgTe Guiding Structure.” <i>Physical Review B</i>, vol. 100, no. 15, 2019, p. 155308, doi:<a href=\"https://doi.org/10.1103/physrevb.100.155308\">10.1103/physrevb.100.155308</a>.","bibtex":"@article{Vondran_Spitzer_Bayer_Akimov_Trautmann_Reichelt_Meier_Weber_Meier_André_et al._2019, title={Spatially asymmetric transients of propagating exciton-polariton modes in a planar CdZnTe/CdMgTe guiding structure}, volume={100}, DOI={<a href=\"https://doi.org/10.1103/physrevb.100.155308\">10.1103/physrevb.100.155308</a>}, number={15}, journal={Physical Review B}, author={Vondran, J. and Spitzer, F. and Bayer, M. and Akimov, I. A. and Trautmann, Alexander and Reichelt, Matthias and Meier, Cedrik and Weber, N. and Meier, Torsten and André, R. and et al.}, year={2019}, pages={155308} }","ama":"Vondran J, Spitzer F, Bayer M, et al. Spatially asymmetric transients of propagating exciton-polariton modes in a planar CdZnTe/CdMgTe guiding structure. <i>Physical Review B</i>. 2019;100(15):155308. doi:<a href=\"https://doi.org/10.1103/physrevb.100.155308\">10.1103/physrevb.100.155308</a>","ieee":"J. Vondran <i>et al.</i>, “Spatially asymmetric transients of propagating exciton-polariton modes in a planar CdZnTe/CdMgTe guiding structure,” <i>Physical Review B</i>, vol. 100, no. 15, p. 155308, 2019, doi: <a href=\"https://doi.org/10.1103/physrevb.100.155308\">10.1103/physrevb.100.155308</a>.","apa":"Vondran, J., Spitzer, F., Bayer, M., Akimov, I. A., Trautmann, A., Reichelt, M., Meier, C., Weber, N., Meier, T., André, R., &#38; Mariette, H. (2019). Spatially asymmetric transients of propagating exciton-polariton modes in a planar CdZnTe/CdMgTe guiding structure. <i>Physical Review B</i>, <i>100</i>(15), 155308. <a href=\"https://doi.org/10.1103/physrevb.100.155308\">https://doi.org/10.1103/physrevb.100.155308</a>","short":"J. Vondran, F. Spitzer, M. Bayer, I.A. Akimov, A. Trautmann, M. Reichelt, C. Meier, N. Weber, T. Meier, R. André, H. Mariette, Physical Review B 100 (2019) 155308.","chicago":"Vondran, J., F. Spitzer, M. Bayer, I. A. Akimov, Alexander Trautmann, Matthias Reichelt, Cedrik Meier, et al. “Spatially Asymmetric Transients of Propagating Exciton-Polariton Modes in a Planar CdZnTe/CdMgTe Guiding Structure.” <i>Physical Review B</i> 100, no. 15 (2019): 155308. <a href=\"https://doi.org/10.1103/physrevb.100.155308\">https://doi.org/10.1103/physrevb.100.155308</a>."},"project":[{"_id":"53","name":"TRR 142"},{"name":"TRR 142 - Project Area B","_id":"55"},{"_id":"66","name":"TRR 142 - Subproject B1"},{"_id":"53","name":"TRR 142"},{"_id":"54","name":"TRR 142 - Project Area A"},{"name":"TRR 142 - Subproject A2","_id":"59"}]},{"status":"public","has_accepted_license":"1","_id":"10014","publisher":"American Physical Society","user_id":"16199","ddc":["530"],"volume":3,"file_date_updated":"2020-08-30T14:34:33Z","isi":"1","citation":{"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>","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>.","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).","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>.","ama":"Schmidt F, Riefer A, Schmidt WG, et al. 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>","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} }"},"quality_controlled":"1","project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"},{"name":"TRR 142","_id":"53"},{"name":"TRR 142 - Project Area B","_id":"55"},{"_id":"69","name":"TRR 142 - Subproject B4"},{"name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"external_id":{"isi":["000467044000003"]},"oa":"1","year":"2019","title":"Quasiparticle and excitonic effects in the optical response of KNbO3","publication_identifier":{"eissn":["2475-9953"]},"author":[{"first_name":"Falko","last_name":"Schmidt","orcid":"0000-0002-5071-5528","full_name":"Schmidt, Falko","id":"35251"},{"full_name":"Riefer, Arthur","last_name":"Riefer","first_name":"Arthur"},{"id":"468","full_name":"Schmidt, Wolf Gero","first_name":"Wolf Gero","last_name":"Schmidt","orcid":"0000-0002-2717-5076"},{"id":"458","last_name":"Schindlmayr","first_name":"Arno","orcid":"0000-0002-4855-071X","full_name":"Schindlmayr, Arno"},{"full_name":"Imlau, Mirco","last_name":"Imlau","first_name":"Mirco"},{"full_name":"Dobener, Florian","last_name":"Dobener","first_name":"Florian"},{"first_name":"Nils","last_name":"Mengel","full_name":"Mengel, Nils"},{"first_name":"Sangam","last_name":"Chatterjee","full_name":"Chatterjee, Sangam"},{"last_name":"Sanna","first_name":"Simone","full_name":"Sanna, Simone"}],"publication_status":"published","date_updated":"2023-04-20T14:20:33Z","article_type":"original","intvolume":"         3","article_number":"054401","language":[{"iso":"eng"}],"doi":"10.1103/PhysRevMaterials.3.054401","publication":"Physical Review Materials","issue":"5","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."}],"file":[{"date_created":"2020-08-27T19:05:54Z","description":"© 2019 American Physical Society","creator":"schindlm","file_id":"18465","content_type":"application/pdf","title":"Quasiparticle and excitonic effects in the optical response of KNbO3","file_name":"PhysRevMaterials.3.054401.pdf","access_level":"open_access","file_size":1949504,"relation":"main_file","date_updated":"2020-08-30T14:34:33Z"}],"date_created":"2019-05-29T06:55:29Z","type":"journal_article","department":[{"_id":"295"},{"_id":"296"},{"_id":"230"},{"_id":"429"},{"_id":"170"},{"_id":"35"}]},{"department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"230"},{"_id":"35"}],"type":"journal_article","date_created":"2022-02-03T15:26:06Z","issue":"15","publication":"Physical Review B","doi":"10.1103/physrevb.99.155107","language":[{"iso":"eng"}],"article_number":"155107","intvolume":"        99","publication_status":"published","date_updated":"2023-04-20T14:22:46Z","author":[{"first_name":"C. W.","last_name":"Nicholson","full_name":"Nicholson, C. W."},{"last_name":"Puppin","first_name":"M.","full_name":"Puppin, M."},{"last_name":"Lücke","first_name":"A.","full_name":"Lücke, A."},{"orcid":"0000-0002-4476-223X","first_name":"Uwe","last_name":"Gerstmann","full_name":"Gerstmann, Uwe","id":"171"},{"last_name":"Krenz","first_name":"Marvin","full_name":"Krenz, Marvin","id":"52309"},{"id":"468","orcid":"0000-0002-2717-5076","last_name":"Schmidt","first_name":"Wolf Gero","full_name":"Schmidt, Wolf Gero"},{"full_name":"Rettig, L.","first_name":"L.","last_name":"Rettig"},{"last_name":"Ernstorfer","first_name":"R.","full_name":"Ernstorfer, R."},{"first_name":"M.","last_name":"Wolf","full_name":"Wolf, M."}],"publication_identifier":{"issn":["2469-9950","2469-9969"]},"year":"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","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"}],"citation":{"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>.","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} }","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>","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>.","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>","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).","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>."},"volume":99,"user_id":"16199","_id":"29746","publisher":"American Physical Society (APS)","status":"public"},{"user_id":"16199","doi":"10.1021/acsomega.8b03271","language":[{"iso":"eng"}],"_id":"10015","funded_apc":"1","page":"3850-3859","publication_status":"published","date_updated":"2023-04-20T14:21:28Z","publication_identifier":{"issn":["2470-1343","2470-1343"]},"author":[{"full_name":"Dues, Christof","last_name":"Dues","first_name":"Christof"},{"id":"468","first_name":"Wolf Gero","orcid":"0000-0002-2717-5076","last_name":"Schmidt","full_name":"Schmidt, Wolf Gero"},{"last_name":"Sanna","first_name":"Simone","full_name":"Sanna, Simone"}],"title":"Water Splitting Reaction at Polar Lithium Niobate Surfaces","status":"public","year":"2019","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"}],"type":"journal_article","date_created":"2019-05-29T07:15:06Z","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"},{"_id":"69","name":"TRR 142 - Subproject B4"},{"_id":"52","name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"citation":{"mla":"Dues, Christof, et al. “Water Splitting Reaction at Polar Lithium Niobate Surfaces.” <i>ACS Omega</i>, 2019, pp. 3850–59, doi:<a href=\"https://doi.org/10.1021/acsomega.8b03271\">10.1021/acsomega.8b03271</a>.","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>","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} }","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>","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>.","short":"C. Dues, W.G. Schmidt, S. Sanna, ACS Omega (2019) 3850–3859.","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>."},"publication":"ACS Omega"},{"article_type":"original","intvolume":"         2","publication_status":"published","date_updated":"2023-04-21T11:36:12Z","publication_identifier":{"eissn":["2515-7639"]},"author":[{"full_name":"Neufeld, Sergej","last_name":"Neufeld","first_name":"Sergej","id":"23261"},{"orcid":"https://orcid.org/0000-0002-2134-3075","last_name":"Bocchini","first_name":"Adriana","full_name":"Bocchini, Adriana","id":"58349"},{"id":"171","orcid":"0000-0002-4476-223X","first_name":"Uwe","last_name":"Gerstmann","full_name":"Gerstmann, Uwe"},{"id":"458","first_name":"Arno","last_name":"Schindlmayr","orcid":"0000-0002-4855-071X","full_name":"Schindlmayr, Arno"},{"id":"468","full_name":"Schmidt, Wolf Gero","orcid":"0000-0002-2717-5076","last_name":"Schmidt","first_name":"Wolf Gero"}],"year":"2019","title":"Potassium titanyl phosphate (KTP) quasiparticle energies and optical response","doi":"10.1088/2515-7639/ab29ba","language":[{"iso":"eng"}],"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"}],"publication":"Journal of Physics: Materials","department":[{"_id":"296"},{"_id":"295"},{"_id":"230"},{"_id":"429"},{"_id":"170"},{"_id":"35"}],"type":"journal_article","date_created":"2019-09-19T14:34:16Z","file":[{"date_created":"2020-08-28T09:07:18Z","description":"Creative Commons Attribution 3.0 Unported Public License (CC BY 3.0)","creator":"schindlm","content_type":"application/pdf","file_id":"18535","title":"Potassium titanyl phosphate (KTP) quasiparticle energies and optical response","file_size":1481174,"access_level":"open_access","file_name":"Neufeld_2019_J._Phys._Mater._2_045003.pdf","date_updated":"2020-08-30T14:29:27Z","relation":"main_file"}],"has_accepted_license":"1","status":"public","volume":2,"user_id":"171","ddc":["530"],"publisher":"IOP Publishing","_id":"13365","page":"045003","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"},{"name":"TRR 142","_id":"53"},{"_id":"55","name":"TRR 142 - Project Area B"},{"_id":"69","name":"TRR 142 - Subproject B4"},{"name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"quality_controlled":"1","isi":"1","citation":{"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>","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>.","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.","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>.","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>","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} }"},"file_date_updated":"2020-08-30T14:29:27Z","oa":"1","external_id":{"isi":["000560410300003"]}},{"intvolume":"       100","publication_status":"published","date_updated":"2023-04-21T11:30:46Z","publication_identifier":{"issn":["2469-9950","2469-9969"]},"author":[{"first_name":"J.","last_name":"Vondran","full_name":"Vondran, J."},{"full_name":"Spitzer, F.","last_name":"Spitzer","first_name":"F."},{"last_name":"Bayer","first_name":"M.","full_name":"Bayer, M."},{"first_name":"I. A.","last_name":"Akimov","full_name":"Akimov, I. A."},{"id":"38163","full_name":"Trautmann, Alexander","first_name":"Alexander","last_name":"Trautmann"},{"id":"138","full_name":"Reichelt, Matthias","last_name":"Reichelt","first_name":"Matthias"},{"full_name":"Meier, Cedrik","first_name":"Cedrik","last_name":"Meier","orcid":"https://orcid.org/0000-0002-3787-3572","id":"20798"},{"full_name":"Weber, N.","last_name":"Weber","first_name":"N."},{"id":"344","full_name":"Meier, Torsten","first_name":"Torsten","last_name":"Meier","orcid":"0000-0001-8864-2072"},{"first_name":"R.","last_name":"André","full_name":"André, R."},{"last_name":"Mariette","first_name":"H.","full_name":"Mariette, H."}],"title":"Spatially asymmetric transients of propagating exciton-polariton modes in a planar CdZnTe/CdMgTe guiding structure","year":"2019","doi":"10.1103/physrevb.100.155308","language":[{"iso":"eng"}],"publication":"Physical Review B","issue":"15","department":[{"_id":"15"},{"_id":"170"},{"_id":"293"},{"_id":"429"},{"_id":"230"},{"_id":"35"}],"type":"journal_article","date_created":"2021-07-29T08:13:23Z","status":"public","volume":100,"user_id":"16199","_id":"22887","page":"155308","project":[{"name":"TRR 142","_id":"53"},{"_id":"54","name":"TRR 142 - Project Area A"},{"name":"TRR 142 - Project Area C","_id":"56"},{"name":"TRR 142 - Project Area B","_id":"55"},{"_id":"59","name":"TRR 142 - Subproject A2"},{"name":"TRR 142 - Subproject B2","_id":"67"},{"_id":"68","name":"TRR 142 - Subproject B3"},{"name":"TRR 142 - Subproject A5","_id":"62"},{"_id":"71","name":"TRR 142 - Subproject C1"}],"citation":{"ama":"Vondran J, Spitzer F, Bayer M, et al. Spatially asymmetric transients of propagating exciton-polariton modes in a planar CdZnTe/CdMgTe guiding structure. <i>Physical Review B</i>. 2019;100(15):155308. doi:<a href=\"https://doi.org/10.1103/physrevb.100.155308\">10.1103/physrevb.100.155308</a>","bibtex":"@article{Vondran_Spitzer_Bayer_Akimov_Trautmann_Reichelt_Meier_Weber_Meier_André_et al._2019, title={Spatially asymmetric transients of propagating exciton-polariton modes in a planar CdZnTe/CdMgTe guiding structure}, volume={100}, DOI={<a href=\"https://doi.org/10.1103/physrevb.100.155308\">10.1103/physrevb.100.155308</a>}, number={15}, journal={Physical Review B}, author={Vondran, J. and Spitzer, F. and Bayer, M. and Akimov, I. A. and Trautmann, Alexander and Reichelt, Matthias and Meier, Cedrik and Weber, N. and Meier, Torsten and André, R. and et al.}, year={2019}, pages={155308} }","mla":"Vondran, J., et al. “Spatially Asymmetric Transients of Propagating Exciton-Polariton Modes in a Planar CdZnTe/CdMgTe Guiding Structure.” <i>Physical Review B</i>, vol. 100, no. 15, 2019, p. 155308, doi:<a href=\"https://doi.org/10.1103/physrevb.100.155308\">10.1103/physrevb.100.155308</a>.","chicago":"Vondran, J., F. Spitzer, M. Bayer, I. A. Akimov, Alexander Trautmann, Matthias Reichelt, Cedrik Meier, et al. “Spatially Asymmetric Transients of Propagating Exciton-Polariton Modes in a Planar CdZnTe/CdMgTe Guiding Structure.” <i>Physical Review B</i> 100, no. 15 (2019): 155308. <a href=\"https://doi.org/10.1103/physrevb.100.155308\">https://doi.org/10.1103/physrevb.100.155308</a>.","short":"J. Vondran, F. Spitzer, M. Bayer, I.A. Akimov, A. Trautmann, M. Reichelt, C. Meier, N. Weber, T. Meier, R. André, H. Mariette, Physical Review B 100 (2019) 155308.","apa":"Vondran, J., Spitzer, F., Bayer, M., Akimov, I. A., Trautmann, A., Reichelt, M., Meier, C., Weber, N., Meier, T., André, R., &#38; Mariette, H. (2019). Spatially asymmetric transients of propagating exciton-polariton modes in a planar CdZnTe/CdMgTe guiding structure. <i>Physical Review B</i>, <i>100</i>(15), 155308. <a href=\"https://doi.org/10.1103/physrevb.100.155308\">https://doi.org/10.1103/physrevb.100.155308</a>","ieee":"J. Vondran <i>et al.</i>, “Spatially asymmetric transients of propagating exciton-polariton modes in a planar CdZnTe/CdMgTe guiding structure,” <i>Physical Review B</i>, vol. 100, no. 15, p. 155308, 2019, doi: <a href=\"https://doi.org/10.1103/physrevb.100.155308\">10.1103/physrevb.100.155308</a>."}},{"citation":{"ieee":"A. Bocchini, S. Neufeld, U. Gerstmann, and W. G. Schmidt, “Oxygen and potassium vacancies in KTP calculated from first principles,” <i>Journal of Physics: Condensed Matter</i>, vol. 31, p. 385401, 2019, doi: <a href=\"https://doi.org/10.1088/1361-648x/ab295c\">10.1088/1361-648x/ab295c</a>.","apa":"Bocchini, A., Neufeld, S., Gerstmann, U., &#38; Schmidt, W. G. (2019). Oxygen and potassium vacancies in KTP calculated from first principles. <i>Journal of Physics: Condensed Matter</i>, <i>31</i>, 385401. <a href=\"https://doi.org/10.1088/1361-648x/ab295c\">https://doi.org/10.1088/1361-648x/ab295c</a>","chicago":"Bocchini, Adriana, Sergej Neufeld, Uwe Gerstmann, and Wolf Gero Schmidt. “Oxygen and Potassium Vacancies in KTP Calculated from First Principles.” <i>Journal of Physics: Condensed Matter</i> 31 (2019): 385401. <a href=\"https://doi.org/10.1088/1361-648x/ab295c\">https://doi.org/10.1088/1361-648x/ab295c</a>.","short":"A. Bocchini, S. Neufeld, U. Gerstmann, W.G. Schmidt, Journal of Physics: Condensed Matter 31 (2019) 385401.","mla":"Bocchini, Adriana, et al. “Oxygen and Potassium Vacancies in KTP Calculated from First Principles.” <i>Journal of Physics: Condensed Matter</i>, vol. 31, 2019, p. 385401, doi:<a href=\"https://doi.org/10.1088/1361-648x/ab295c\">10.1088/1361-648x/ab295c</a>.","bibtex":"@article{Bocchini_Neufeld_Gerstmann_Schmidt_2019, title={Oxygen and potassium vacancies in KTP calculated from first principles}, volume={31}, DOI={<a href=\"https://doi.org/10.1088/1361-648x/ab295c\">10.1088/1361-648x/ab295c</a>}, journal={Journal of Physics: Condensed Matter}, author={Bocchini, Adriana and Neufeld, Sergej and Gerstmann, Uwe and Schmidt, Wolf Gero}, year={2019}, pages={385401} }","ama":"Bocchini A, Neufeld S, Gerstmann U, Schmidt WG. Oxygen and potassium vacancies in KTP calculated from first principles. <i>Journal of Physics: Condensed Matter</i>. 2019;31:385401. doi:<a href=\"https://doi.org/10.1088/1361-648x/ab295c\">10.1088/1361-648x/ab295c</a>"},"project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"},{"_id":"52","name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing"},{"name":"TRR 142: TRR 142","_id":"53"},{"name":"TRR 142 - B: TRR 142 - Project Area B","_id":"55"},{"_id":"69","name":"TRR 142 - B4: TRR 142 - Subproject B4"}],"oa":"1","status":"public","page":"385401","_id":"13429","user_id":"171","volume":31,"publication":"Journal of Physics: Condensed Matter","date_created":"2019-09-20T12:22:27Z","type":"journal_article","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"230"},{"_id":"429"},{"_id":"35"}],"title":"Oxygen and potassium vacancies in KTP calculated from first principles","year":"2019","author":[{"last_name":"Bocchini","first_name":"Adriana","orcid":"https://orcid.org/0000-0002-2134-3075","full_name":"Bocchini, Adriana","id":"58349"},{"last_name":"Neufeld","first_name":"Sergej","full_name":"Neufeld, Sergej","id":"23261"},{"last_name":"Gerstmann","first_name":"Uwe","orcid":"0000-0002-4476-223X","full_name":"Gerstmann, Uwe","id":"171"},{"id":"468","full_name":"Schmidt, Wolf Gero","orcid":"0000-0002-2717-5076","first_name":"Wolf Gero","last_name":"Schmidt"}],"publication_identifier":{"issn":["0953-8984","1361-648X"]},"date_updated":"2023-04-21T11:37:48Z","publication_status":"published","intvolume":"        31","main_file_link":[{"open_access":"1"}],"language":[{"iso":"eng"}],"doi":"10.1088/1361-648x/ab295c"},{"status":"public","has_accepted_license":"1","urn":"14308","_id":"1430","publisher":"American Chemical Society (ACS)","page":"1933-1942","volume":5,"ddc":["530"],"user_id":"30525","citation":{"apa":"Hoffmann, S. P., Albert, M., Weber, N., Sievers, D., Förstner, J., Zentgraf, T., &#38; Meier, C. (2018). Tailored UV Emission by Nonlinear IR Excitation from ZnO Photonic Crystal Nanocavities. <i>ACS Photonics</i>, <i>5</i>, 1933–1942. <a href=\"https://doi.org/10.1021/acsphotonics.7b01228\">https://doi.org/10.1021/acsphotonics.7b01228</a>","mla":"Hoffmann, Sandro P., et al. “Tailored UV Emission by Nonlinear IR Excitation from ZnO Photonic Crystal Nanocavities.” <i>ACS Photonics</i>, vol. 5, American Chemical Society (ACS), 2018, pp. 1933–42, doi:<a href=\"https://doi.org/10.1021/acsphotonics.7b01228\">10.1021/acsphotonics.7b01228</a>.","ieee":"S. P. Hoffmann <i>et al.</i>, “Tailored UV Emission by Nonlinear IR Excitation from ZnO Photonic Crystal Nanocavities,” <i>ACS Photonics</i>, vol. 5, pp. 1933–1942, 2018.","short":"S.P. Hoffmann, M. Albert, N. Weber, D. Sievers, J. Förstner, T. Zentgraf, C. Meier, ACS Photonics 5 (2018) 1933–1942.","ama":"Hoffmann SP, Albert M, Weber N, et al. Tailored UV Emission by Nonlinear IR Excitation from ZnO Photonic Crystal Nanocavities. <i>ACS Photonics</i>. 2018;5:1933-1942. doi:<a href=\"https://doi.org/10.1021/acsphotonics.7b01228\">10.1021/acsphotonics.7b01228</a>","chicago":"Hoffmann, Sandro P., Maximilian Albert, Nils Weber, Denis Sievers, Jens Förstner, Thomas Zentgraf, and Cedrik Meier. “Tailored UV Emission by Nonlinear IR Excitation from ZnO Photonic Crystal Nanocavities.” <i>ACS Photonics</i> 5 (2018): 1933–42. <a href=\"https://doi.org/10.1021/acsphotonics.7b01228\">https://doi.org/10.1021/acsphotonics.7b01228</a>.","bibtex":"@article{Hoffmann_Albert_Weber_Sievers_Förstner_Zentgraf_Meier_2018, title={Tailored UV Emission by Nonlinear IR Excitation from ZnO Photonic Crystal Nanocavities}, volume={5}, DOI={<a href=\"https://doi.org/10.1021/acsphotonics.7b01228\">10.1021/acsphotonics.7b01228</a>}, journal={ACS Photonics}, publisher={American Chemical Society (ACS)}, author={Hoffmann, Sandro P. and Albert, Maximilian and Weber, Nils and Sievers, Denis and Förstner, Jens and Zentgraf, Thomas and Meier, Cedrik}, year={2018}, pages={1933–1942} }"},"file_date_updated":"2018-08-21T10:38:31Z","project":[{"name":"TRR 142","_id":"53"},{"name":"TRR 142 - Project Area A","_id":"54"},{"name":"TRR 142 - Project Area B","_id":"55"},{"name":"TRR 142 - Subproject A5","_id":"62"},{"name":"TRR 142 - Subproject B1","_id":"66"}],"oa":"1","publication_identifier":{"issn":["2330-4022","2330-4022"]},"author":[{"last_name":"Hoffmann","first_name":"Sandro P.","full_name":"Hoffmann, Sandro P."},{"full_name":"Albert, Maximilian","last_name":"Albert","first_name":"Maximilian"},{"last_name":"Weber","first_name":"Nils","full_name":"Weber, Nils"},{"first_name":"Denis","last_name":"Sievers","full_name":"Sievers, Denis"},{"id":"158","full_name":"Förstner, Jens","orcid":"0000-0001-7059-9862","last_name":"Förstner","first_name":"Jens"},{"full_name":"Zentgraf, Thomas","last_name":"Zentgraf","orcid":"0000-0002-8662-1101","first_name":"Thomas","id":"30525"},{"full_name":"Meier, Cedrik","first_name":"Cedrik","last_name":"Meier","orcid":"https://orcid.org/0000-0002-3787-3572","id":"20798"}],"year":"2018","title":"Tailored UV Emission by Nonlinear IR Excitation from ZnO Photonic Crystal Nanocavities","intvolume":"         5","date_updated":"2022-01-06T06:51:58Z","publication_status":"published","language":[{"iso":"eng"}],"doi":"10.1021/acsphotonics.7b01228","publication":"ACS Photonics","date_created":"2018-03-20T07:39:36Z","file":[{"creator":"fossie","date_created":"2018-08-16T07:49:44Z","file_name":"2018-03 Hoffmann ACS Photonics - Tailored UV Emission by nonlinear IR excitation from ZnO photonic crystal nanocavities.pdf","file_size":2935858,"access_level":"open_access","relation":"main_file","date_updated":"2018-08-21T10:38:31Z","file_id":"3915","content_type":"application/pdf"}],"department":[{"_id":"15"},{"_id":"230"},{"_id":"61"},{"_id":"287"},{"_id":"35"},{"_id":"289"}],"keyword":["tet_topic_phc"],"type":"journal_article"},{"abstract":[{"text":"<jats:p>Ultrafast nonequilibrium dynamics offer a route to study the microscopic interactions that govern macroscopic behavior. In particular, photoinduced phase transitions (PIPTs) in solids provide a test case for how forces, and the resulting atomic motion along a reaction coordinate, originate from a nonequilibrium population of excited electronic states. Using femtosecond photoemission, we obtain access to the transient electronic structure during an ultrafast PIPT in a model system: indium nanowires on a silicon(111) surface. We uncover a detailed reaction pathway, allowing a direct comparison with the dynamics predicted by ab initio simulations. This further reveals the crucial role played by localized photoholes in shaping the potential energy landscape and enables a combined momentum- and real-space description of PIPTs, including the ultrafast formation of chemical bonds.</jats:p>","lang":"eng"}],"project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"},{"name":"TRR 142","_id":"53"},{"_id":"55","name":"TRR 142 - Project Area B"},{"_id":"69","name":"TRR 142 - Subproject B4"}],"publication":"Science","citation":{"chicago":"Nicholson, C. W., A. Lücke, Wolf Gero Schmidt, M. Puppin, L. Rettig, R. Ernstorfer, and M. Wolf. “Beyond the Molecular Movie: Dynamics of Bands and Bonds during a Photoinduced Phase Transition.” <i>Science</i>, 2018, 821–25. <a href=\"https://doi.org/10.1126/science.aar4183\">https://doi.org/10.1126/science.aar4183</a>.","short":"C.W. Nicholson, A. Lücke, W.G. Schmidt, M. Puppin, L. Rettig, R. Ernstorfer, M. Wolf, Science (2018) 821–825.","apa":"Nicholson, C. W., Lücke, A., Schmidt, W. G., Puppin, M., Rettig, L., Ernstorfer, R., &#38; Wolf, M. (2018). Beyond the molecular movie: Dynamics of bands and bonds during a photoinduced phase transition. <i>Science</i>, 821–825. <a href=\"https://doi.org/10.1126/science.aar4183\">https://doi.org/10.1126/science.aar4183</a>","ieee":"C. W. Nicholson <i>et al.</i>, “Beyond the molecular movie: Dynamics of bands and bonds during a photoinduced phase transition,” <i>Science</i>, pp. 821–825, 2018.","ama":"Nicholson CW, Lücke A, Schmidt WG, et al. Beyond the molecular movie: Dynamics of bands and bonds during a photoinduced phase transition. <i>Science</i>. 2018:821-825. doi:<a href=\"https://doi.org/10.1126/science.aar4183\">10.1126/science.aar4183</a>","bibtex":"@article{Nicholson_Lücke_Schmidt_Puppin_Rettig_Ernstorfer_Wolf_2018, title={Beyond the molecular movie: Dynamics of bands and bonds during a photoinduced phase transition}, DOI={<a href=\"https://doi.org/10.1126/science.aar4183\">10.1126/science.aar4183</a>}, journal={Science}, author={Nicholson, C. W. and Lücke, A. and Schmidt, Wolf Gero and Puppin, M. and Rettig, L. and Ernstorfer, R. and Wolf, M.}, year={2018}, pages={821–825} }","mla":"Nicholson, C. W., et al. “Beyond the Molecular Movie: Dynamics of Bands and Bonds during a Photoinduced Phase Transition.” <i>Science</i>, 2018, pp. 821–25, doi:<a href=\"https://doi.org/10.1126/science.aar4183\">10.1126/science.aar4183</a>."},"type":"journal_article","department":[{"_id":"15"}],"date_created":"2019-05-29T06:46:27Z","date_updated":"2022-01-06T06:50:22Z","publication_status":"published","year":"2018","title":"Beyond the molecular movie: Dynamics of bands and bonds during a photoinduced phase transition","status":"public","author":[{"last_name":"Nicholson","first_name":"C. W.","full_name":"Nicholson, C. W."},{"full_name":"Lücke, A.","last_name":"Lücke","first_name":"A."},{"id":"468","orcid":"0000-0002-2717-5076","last_name":"Schmidt","first_name":"Wolf Gero","full_name":"Schmidt, Wolf Gero"},{"first_name":"M.","last_name":"Puppin","full_name":"Puppin, M."},{"full_name":"Rettig, L.","first_name":"L.","last_name":"Rettig"},{"full_name":"Ernstorfer, R.","last_name":"Ernstorfer","first_name":"R."},{"full_name":"Wolf, M.","last_name":"Wolf","first_name":"M."}],"publication_identifier":{"issn":["0036-8075","1095-9203"]},"doi":"10.1126/science.aar4183","user_id":"16199","page":"821-825","language":[{"iso":"eng"}],"_id":"10013"},{"date_created":"2019-05-29T07:20:57Z","type":"journal_article","department":[{"_id":"15"}],"publication":"The Journal of Physical Chemistry Letters","citation":{"bibtex":"@article{Paszkiewicz_Biktagirov_Aldahhak_Allegretti_Rauls_Schöfberger_Schmidt_Barth_Gerstmann_Klappenberger_2018, title={Unraveling the Oxidation and Spin State of Mn–Corrole through X-ray Spectroscopy and Quantum Chemical Analysis}, DOI={<a href=\"https://doi.org/10.1021/acs.jpclett.8b02525\">10.1021/acs.jpclett.8b02525</a>}, journal={The Journal of Physical Chemistry Letters}, author={Paszkiewicz, Mateusz and Biktagirov, Timur and Aldahhak, Hazem and Allegretti, Francesco and Rauls, Eva and Schöfberger, Wolfgang and Schmidt, Wolf Gero and Barth, Johannes V. and Gerstmann, Uwe and Klappenberger, Florian}, year={2018}, pages={6412–6420} }","ama":"Paszkiewicz M, Biktagirov T, Aldahhak H, et al. Unraveling the Oxidation and Spin State of Mn–Corrole through X-ray Spectroscopy and Quantum Chemical Analysis. <i>The Journal of Physical Chemistry Letters</i>. 2018:6412-6420. doi:<a href=\"https://doi.org/10.1021/acs.jpclett.8b02525\">10.1021/acs.jpclett.8b02525</a>","mla":"Paszkiewicz, Mateusz, et al. “Unraveling the Oxidation and Spin State of Mn–Corrole through X-Ray Spectroscopy and Quantum Chemical Analysis.” <i>The Journal of Physical Chemistry Letters</i>, 2018, pp. 6412–20, doi:<a href=\"https://doi.org/10.1021/acs.jpclett.8b02525\">10.1021/acs.jpclett.8b02525</a>.","chicago":"Paszkiewicz, Mateusz, Timur Biktagirov, Hazem Aldahhak, Francesco Allegretti, Eva Rauls, Wolfgang Schöfberger, Wolf Gero Schmidt, Johannes V. Barth, Uwe Gerstmann, and Florian Klappenberger. “Unraveling the Oxidation and Spin State of Mn–Corrole through X-Ray Spectroscopy and Quantum Chemical Analysis.” <i>The Journal of Physical Chemistry Letters</i>, 2018, 6412–20. <a href=\"https://doi.org/10.1021/acs.jpclett.8b02525\">https://doi.org/10.1021/acs.jpclett.8b02525</a>.","short":"M. Paszkiewicz, T. Biktagirov, H. Aldahhak, F. Allegretti, E. Rauls, W. Schöfberger, W.G. Schmidt, J.V. Barth, U. Gerstmann, F. Klappenberger, The Journal of Physical Chemistry Letters (2018) 6412–6420.","ieee":"M. Paszkiewicz <i>et al.</i>, “Unraveling the Oxidation and Spin State of Mn–Corrole through X-ray Spectroscopy and Quantum Chemical Analysis,” <i>The Journal of Physical Chemistry Letters</i>, pp. 6412–6420, 2018.","apa":"Paszkiewicz, M., Biktagirov, T., Aldahhak, H., Allegretti, F., Rauls, E., Schöfberger, W., … Klappenberger, F. (2018). Unraveling the Oxidation and Spin State of Mn–Corrole through X-ray Spectroscopy and Quantum Chemical Analysis. <i>The Journal of Physical Chemistry Letters</i>, 6412–6420. <a href=\"https://doi.org/10.1021/acs.jpclett.8b02525\">https://doi.org/10.1021/acs.jpclett.8b02525</a>"},"project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"},{"_id":"53","name":"TRR 142"},{"name":"TRR 142 - Project Area B","_id":"55"},{"name":"TRR 142 - Subproject B4","_id":"69"}],"page":"6412-6420","language":[{"iso":"eng"}],"_id":"10016","user_id":"16199","doi":"10.1021/acs.jpclett.8b02525","title":"Unraveling the Oxidation and Spin State of Mn–Corrole through X-ray Spectroscopy and Quantum Chemical Analysis","status":"public","year":"2018","publication_identifier":{"issn":["1948-7185"]},"author":[{"last_name":"Paszkiewicz","first_name":"Mateusz","full_name":"Paszkiewicz, Mateusz"},{"full_name":"Biktagirov, Timur","last_name":"Biktagirov","first_name":"Timur"},{"id":"26687","first_name":"Hazem","last_name":"Aldahhak","full_name":"Aldahhak, Hazem"},{"last_name":"Allegretti","first_name":"Francesco","full_name":"Allegretti, Francesco"},{"last_name":"Rauls","first_name":"Eva","full_name":"Rauls, Eva"},{"full_name":"Schöfberger, Wolfgang","last_name":"Schöfberger","first_name":"Wolfgang"},{"first_name":"Wolf Gero","orcid":"0000-0002-2717-5076","last_name":"Schmidt","full_name":"Schmidt, Wolf Gero","id":"468"},{"last_name":"Barth","first_name":"Johannes V.","full_name":"Barth, Johannes V."},{"first_name":"Uwe","last_name":"Gerstmann","full_name":"Gerstmann, Uwe","id":"171"},{"full_name":"Klappenberger, Florian","first_name":"Florian","last_name":"Klappenberger"}],"publication_status":"published","date_updated":"2022-01-06T06:50:24Z"},{"page":"6787-6797","language":[{"iso":"eng"}],"_id":"10019","doi":"10.1002/chem.201705921","user_id":"16199","status":"public","year":"2018","title":"Identifying On-Surface Site-Selective Chemical Conversions by Theory-Aided NEXAFS Spectroscopy: The Case of Free-Base Corroles on Ag(111)","publication_identifier":{"issn":["0947-6539"]},"author":[{"first_name":"Hazem","last_name":"Aldahhak","full_name":"Aldahhak, Hazem","id":"26687"},{"full_name":"Paszkiewicz, M.","last_name":"Paszkiewicz","first_name":"M."},{"first_name":"E.","last_name":"Rauls","full_name":"Rauls, E."},{"full_name":"Allegretti, F.","last_name":"Allegretti","first_name":"F."},{"last_name":"Tebi","first_name":"S.","full_name":"Tebi, S."},{"first_name":"A. C.","last_name":"Papageorgiou","full_name":"Papageorgiou, A. C."},{"full_name":"Zhang, Y.-Q.","last_name":"Zhang","first_name":"Y.-Q."},{"full_name":"Zhang, L.","last_name":"Zhang","first_name":"L."},{"first_name":"T.","last_name":"Lin","full_name":"Lin, T."},{"full_name":"Paintner, T.","last_name":"Paintner","first_name":"T."},{"last_name":"Koch","first_name":"R.","full_name":"Koch, R."},{"first_name":"Wolf Gero","last_name":"Schmidt","orcid":"0000-0002-2717-5076","full_name":"Schmidt, Wolf Gero","id":"468"},{"last_name":"Barth","first_name":"J. V.","full_name":"Barth, J. V."},{"full_name":"Schöfberger, W.","last_name":"Schöfberger","first_name":"W."},{"full_name":"Müllegger, S.","last_name":"Müllegger","first_name":"S."},{"full_name":"Klappenberger, F.","first_name":"F.","last_name":"Klappenberger"},{"id":"171","full_name":"Gerstmann, Uwe","last_name":"Gerstmann","first_name":"Uwe"}],"date_updated":"2022-01-06T06:50:24Z","publication_status":"published","date_created":"2019-05-29T07:37:30Z","type":"journal_article","department":[{"_id":"15"}],"publication":"Chemistry - A European Journal","citation":{"ama":"Aldahhak H, Paszkiewicz M, Rauls E, et al. Identifying On-Surface Site-Selective Chemical Conversions by Theory-Aided NEXAFS Spectroscopy: The Case of Free-Base Corroles on Ag(111). <i>Chemistry - A European Journal</i>. 2018:6787-6797. doi:<a href=\"https://doi.org/10.1002/chem.201705921\">10.1002/chem.201705921</a>","bibtex":"@article{Aldahhak_Paszkiewicz_Rauls_Allegretti_Tebi_Papageorgiou_Zhang_Zhang_Lin_Paintner_et al._2018, title={Identifying On-Surface Site-Selective Chemical Conversions by Theory-Aided NEXAFS Spectroscopy: The Case of Free-Base Corroles on Ag(111)}, DOI={<a href=\"https://doi.org/10.1002/chem.201705921\">10.1002/chem.201705921</a>}, journal={Chemistry - A European Journal}, author={Aldahhak, Hazem and Paszkiewicz, M. and Rauls, E. and Allegretti, F. and Tebi, S. and Papageorgiou, A. C. and Zhang, Y.-Q. and Zhang, L. and Lin, T. and Paintner, T. and et al.}, year={2018}, pages={6787–6797} }","mla":"Aldahhak, Hazem, et al. “Identifying On-Surface Site-Selective Chemical Conversions by Theory-Aided NEXAFS Spectroscopy: The Case of Free-Base Corroles on Ag(111).” <i>Chemistry - A European Journal</i>, 2018, pp. 6787–97, doi:<a href=\"https://doi.org/10.1002/chem.201705921\">10.1002/chem.201705921</a>.","chicago":"Aldahhak, Hazem, M. Paszkiewicz, E. Rauls, F. Allegretti, S. Tebi, A. C. Papageorgiou, Y.-Q. Zhang, et al. “Identifying On-Surface Site-Selective Chemical Conversions by Theory-Aided NEXAFS Spectroscopy: The Case of Free-Base Corroles on Ag(111).” <i>Chemistry - A European Journal</i>, 2018, 6787–97. <a href=\"https://doi.org/10.1002/chem.201705921\">https://doi.org/10.1002/chem.201705921</a>.","short":"H. Aldahhak, M. Paszkiewicz, E. Rauls, F. Allegretti, S. Tebi, A.C. Papageorgiou, Y.-Q. Zhang, L. Zhang, T. Lin, T. Paintner, R. Koch, W.G. Schmidt, J.V. Barth, W. Schöfberger, S. Müllegger, F. Klappenberger, U. Gerstmann, Chemistry - A European Journal (2018) 6787–6797.","apa":"Aldahhak, H., Paszkiewicz, M., Rauls, E., Allegretti, F., Tebi, S., Papageorgiou, A. C., … Gerstmann, U. (2018). Identifying On-Surface Site-Selective Chemical Conversions by Theory-Aided NEXAFS Spectroscopy: The Case of Free-Base Corroles on Ag(111). <i>Chemistry - A European Journal</i>, 6787–6797. <a href=\"https://doi.org/10.1002/chem.201705921\">https://doi.org/10.1002/chem.201705921</a>","ieee":"H. Aldahhak <i>et al.</i>, “Identifying On-Surface Site-Selective Chemical Conversions by Theory-Aided NEXAFS Spectroscopy: The Case of Free-Base Corroles on Ag(111),” <i>Chemistry - A European Journal</i>, pp. 6787–6797, 2018."},"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"}]},{"publication":"Physical Review Materials","issue":"10","abstract":[{"text":"In recent years, Raman spectroscopy has been used to visualize and analyze ferroelectric domain structures.\r\nThe technique makes use of the fact that the intensity or frequency of certain phonons is strongly influenced\r\nby the presence of domain walls. Although the method is used frequently, the underlying mechanism responsible\r\nfor the changes in the spectra is not fully understood. This inhibits deeper analysis of domain structures based\r\non this method. Two different models have been proposed. However, neither model completely explains all\r\nobservations. In this work, we have systematically investigated domain walls in different scattering geometries\r\nwith Raman spectroscopy in the common ferroelectric materials used in integrated optics, i.e., KTiOPO4,\r\nLiNbO3, and LiTaO3. Based on the two models, we can demonstrate that the observed contrast for domain\r\nwalls is in fact based on two different effects. We can identify on the one hand microscopic changes at the\r\ndomain wall, e.g., strain and electric fields, and on the other hand a macroscopic change of selection rules at the\r\ndomain wall. While the macroscopic relaxation of selection rules can be explained by the directional dispersion\r\nof the phonons in agreement with previous propositions, the microscopic changes can be explained qualitatively\r\nin terms of a simplified atomistic model.","lang":"eng"}],"date_created":"2018-10-18T08:50:47Z","type":"journal_article","department":[{"_id":"15"},{"_id":"230"},{"_id":"35"},{"_id":"288"}],"title":"Imaging of 180∘ ferroelectric domain walls in uniaxial ferroelectrics by confocal Raman spectroscopy: Unraveling the contrast mechanism","year":"2018","publication_identifier":{"issn":["2475-9953"]},"author":[{"id":"22501","full_name":"Rüsing, Michael","last_name":"Rüsing","orcid":"0000-0003-4682-4577","first_name":"Michael"},{"first_name":"Sergej","last_name":"Neufeld","full_name":"Neufeld, Sergej","id":"23261"},{"id":"44807","last_name":"Brockmeier","first_name":"Julian","full_name":"Brockmeier, Julian"},{"id":"13244","full_name":"Eigner, Christof","orcid":"https://orcid.org/0000-0002-5693-3083","last_name":"Eigner","first_name":"Christof"},{"first_name":"P.","last_name":"Mackwitz","full_name":"Mackwitz, P."},{"last_name":"Spychala","first_name":"K.","full_name":"Spychala, K."},{"id":"26263","first_name":"Christine","last_name":"Silberhorn","full_name":"Silberhorn, Christine"},{"id":"468","full_name":"Schmidt, Wolf Gero","first_name":"Wolf Gero","last_name":"Schmidt","orcid":"0000-0002-2717-5076"},{"first_name":"Gerhard","last_name":"Berth","full_name":"Berth, Gerhard","id":"53"},{"first_name":"Artur","orcid":"0000-0002-5190-0944","last_name":"Zrenner","full_name":"Zrenner, Artur","id":"606"},{"first_name":"S.","last_name":"Sanna","full_name":"Sanna, S."}],"date_updated":"2023-10-11T09:01:48Z","publication_status":"published","intvolume":"         2","article_type":"original","language":[{"iso":"eng"}],"doi":"10.1103/physrevmaterials.2.103801","citation":{"bibtex":"@article{Rüsing_Neufeld_Brockmeier_Eigner_Mackwitz_Spychala_Silberhorn_Schmidt_Berth_Zrenner_et al._2018, title={Imaging of 180∘ ferroelectric domain walls in uniaxial ferroelectrics by confocal Raman spectroscopy: Unraveling the contrast mechanism}, volume={2}, DOI={<a href=\"https://doi.org/10.1103/physrevmaterials.2.103801\">10.1103/physrevmaterials.2.103801</a>}, number={10}, journal={Physical Review Materials}, publisher={American Physical Society (APS)}, author={Rüsing, Michael and Neufeld, Sergej and Brockmeier, Julian and Eigner, Christof and Mackwitz, P. and Spychala, K. and Silberhorn, Christine and Schmidt, Wolf Gero and Berth, Gerhard and Zrenner, Artur and et al.}, year={2018} }","ama":"Rüsing M, Neufeld S, Brockmeier J, et al. Imaging of 180∘ ferroelectric domain walls in uniaxial ferroelectrics by confocal Raman spectroscopy: Unraveling the contrast mechanism. <i>Physical Review Materials</i>. 2018;2(10). doi:<a href=\"https://doi.org/10.1103/physrevmaterials.2.103801\">10.1103/physrevmaterials.2.103801</a>","mla":"Rüsing, Michael, et al. “Imaging of 180∘ Ferroelectric Domain Walls in Uniaxial Ferroelectrics by Confocal Raman Spectroscopy: Unraveling the Contrast Mechanism.” <i>Physical Review Materials</i>, vol. 2, no. 10, American Physical Society (APS), 2018, doi:<a href=\"https://doi.org/10.1103/physrevmaterials.2.103801\">10.1103/physrevmaterials.2.103801</a>.","chicago":"Rüsing, Michael, Sergej Neufeld, Julian Brockmeier, Christof Eigner, P. Mackwitz, K. Spychala, Christine Silberhorn, et al. “Imaging of 180∘ Ferroelectric Domain Walls in Uniaxial Ferroelectrics by Confocal Raman Spectroscopy: Unraveling the Contrast Mechanism.” <i>Physical Review Materials</i> 2, no. 10 (2018). <a href=\"https://doi.org/10.1103/physrevmaterials.2.103801\">https://doi.org/10.1103/physrevmaterials.2.103801</a>.","short":"M. Rüsing, S. Neufeld, J. Brockmeier, C. Eigner, P. Mackwitz, K. Spychala, C. Silberhorn, W.G. Schmidt, G. Berth, A. Zrenner, S. Sanna, Physical Review Materials 2 (2018).","ieee":"M. Rüsing <i>et al.</i>, “Imaging of 180∘ ferroelectric domain walls in uniaxial ferroelectrics by confocal Raman spectroscopy: Unraveling the contrast mechanism,” <i>Physical Review Materials</i>, vol. 2, no. 10, 2018, doi: <a href=\"https://doi.org/10.1103/physrevmaterials.2.103801\">10.1103/physrevmaterials.2.103801</a>.","apa":"Rüsing, M., Neufeld, S., Brockmeier, J., Eigner, C., Mackwitz, P., Spychala, K., Silberhorn, C., Schmidt, W. G., Berth, G., Zrenner, A., &#38; Sanna, S. (2018). Imaging of 180∘ ferroelectric domain walls in uniaxial ferroelectrics by confocal Raman spectroscopy: Unraveling the contrast mechanism. <i>Physical Review Materials</i>, <i>2</i>(10). <a href=\"https://doi.org/10.1103/physrevmaterials.2.103801\">https://doi.org/10.1103/physrevmaterials.2.103801</a>"},"project":[{"grant_number":"231447078","_id":"53","name":"TRR 142"},{"_id":"55","name":"TRR 142 - Project Area B"},{"grant_number":"231447078","_id":"69","name":"TRR 142 - Subproject B4"},{"name":"TRR 142 - Subproject B5","grant_number":"231447078","_id":"70"}],"status":"public","_id":"4769","publisher":"American Physical Society (APS)","user_id":"22501","volume":2},{"publication_identifier":{"issn":["2041-1723"]},"author":[{"full_name":"Schmidt, C.","last_name":"Schmidt","first_name":"C."},{"full_name":"Bühler, J.","first_name":"J.","last_name":"Bühler"},{"last_name":"Heinrich","first_name":"A.-C.","full_name":"Heinrich, A.-C."},{"last_name":"Allerbeck","first_name":"J.","full_name":"Allerbeck, J."},{"last_name":"Podzimski","first_name":"R.","full_name":"Podzimski, R."},{"full_name":"Berghoff, D.","first_name":"D.","last_name":"Berghoff"},{"id":"344","orcid":"0000-0001-8864-2072","first_name":"Torsten","last_name":"Meier","full_name":"Meier, Torsten"},{"full_name":"Schmidt, Wolf Gero","first_name":"Wolf Gero","last_name":"Schmidt"},{"last_name":"Reichl","first_name":"C.","full_name":"Reichl, C."},{"full_name":"Wegscheider, W.","last_name":"Wegscheider","first_name":"W."},{"last_name":"Brida","first_name":"D.","full_name":"Brida, D."},{"full_name":"Leitenstorfer, A.","last_name":"Leitenstorfer","first_name":"A."}],"year":"2018","title":"Signatures of transient Wannier-Stark localization in bulk gallium arsenide","intvolume":"         9","date_updated":"2023-04-21T11:32:18Z","publication_status":"published","language":[{"iso":"eng"}],"doi":"10.1038/s41467-018-05229-x","issue":"1","publication":"Nature Communications","date_created":"2018-09-10T12:21:49Z","department":[{"_id":"230"},{"_id":"429"},{"_id":"15"},{"_id":"35"},{"_id":"293"},{"_id":"170"}],"type":"journal_article","status":"public","_id":"4370","publisher":"Springer Nature","volume":9,"user_id":"16199","citation":{"ama":"Schmidt C, Bühler J, Heinrich A-C, et al. Signatures of transient Wannier-Stark localization in bulk gallium arsenide. <i>Nature Communications</i>. 2018;9(1). doi:<a href=\"https://doi.org/10.1038/s41467-018-05229-x\">10.1038/s41467-018-05229-x</a>","bibtex":"@article{Schmidt_Bühler_Heinrich_Allerbeck_Podzimski_Berghoff_Meier_Schmidt_Reichl_Wegscheider_et al._2018, title={Signatures of transient Wannier-Stark localization in bulk gallium arsenide}, volume={9}, DOI={<a href=\"https://doi.org/10.1038/s41467-018-05229-x\">10.1038/s41467-018-05229-x</a>}, number={1}, journal={Nature Communications}, publisher={Springer Nature}, author={Schmidt, C. and Bühler, J. and Heinrich, A.-C. and Allerbeck, J. and Podzimski, R. and Berghoff, D. and Meier, Torsten and Schmidt, Wolf Gero and Reichl, C. and Wegscheider, W. and et al.}, year={2018} }","mla":"Schmidt, C., et al. “Signatures of Transient Wannier-Stark Localization in Bulk Gallium Arsenide.” <i>Nature Communications</i>, vol. 9, no. 1, Springer Nature, 2018, doi:<a href=\"https://doi.org/10.1038/s41467-018-05229-x\">10.1038/s41467-018-05229-x</a>.","chicago":"Schmidt, C., J. Bühler, A.-C. Heinrich, J. Allerbeck, R. Podzimski, D. Berghoff, Torsten Meier, et al. “Signatures of Transient Wannier-Stark Localization in Bulk Gallium Arsenide.” <i>Nature Communications</i> 9, no. 1 (2018). <a href=\"https://doi.org/10.1038/s41467-018-05229-x\">https://doi.org/10.1038/s41467-018-05229-x</a>.","short":"C. Schmidt, J. Bühler, A.-C. Heinrich, J. Allerbeck, R. Podzimski, D. Berghoff, T. Meier, W.G. Schmidt, C. Reichl, W. Wegscheider, D. Brida, A. Leitenstorfer, Nature Communications 9 (2018).","apa":"Schmidt, C., Bühler, J., Heinrich, A.-C., Allerbeck, J., Podzimski, R., Berghoff, D., Meier, T., Schmidt, W. G., Reichl, C., Wegscheider, W., Brida, D., &#38; Leitenstorfer, A. (2018). Signatures of transient Wannier-Stark localization in bulk gallium arsenide. <i>Nature Communications</i>, <i>9</i>(1). <a href=\"https://doi.org/10.1038/s41467-018-05229-x\">https://doi.org/10.1038/s41467-018-05229-x</a>","ieee":"C. Schmidt <i>et al.</i>, “Signatures of transient Wannier-Stark localization in bulk gallium arsenide,” <i>Nature Communications</i>, vol. 9, no. 1, 2018, doi: <a href=\"https://doi.org/10.1038/s41467-018-05229-x\">10.1038/s41467-018-05229-x</a>."},"project":[{"_id":"53","name":"TRR 142"},{"name":"TRR 142 - Project Area A","_id":"54"},{"name":"TRR 142 - Subproject A2","_id":"59"},{"_id":"55","name":"TRR 142 - Project Area B"},{"name":"TRR 142 - Subproject B4","_id":"69"}]},{"publication":"Nature Communications","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"293"},{"_id":"230"},{"_id":"429"},{"_id":"35"}],"type":"journal_article","date_created":"2019-05-29T07:33:32Z","intvolume":"         9","publication_status":"published","date_updated":"2023-04-21T11:34:48Z","author":[{"full_name":"Schmidt, Claudia","first_name":"Claudia","last_name":"Schmidt","orcid":"0000-0003-3179-9997","id":"466"},{"last_name":"Bühler","first_name":"J.","full_name":"Bühler, J."},{"full_name":"Heinrich, A.-C.","last_name":"Heinrich","first_name":"A.-C."},{"first_name":"J.","last_name":"Allerbeck","full_name":"Allerbeck, J."},{"full_name":"Podzimski, R.","last_name":"Podzimski","first_name":"R."},{"id":"38175","first_name":"Daniel","last_name":"Berghoff","full_name":"Berghoff, Daniel"},{"full_name":"Meier, Torsten","orcid":"0000-0001-8864-2072","first_name":"Torsten","last_name":"Meier","id":"344"},{"full_name":"Schmidt, Wolf Gero","first_name":"Wolf Gero","last_name":"Schmidt","orcid":"0000-0002-2717-5076","id":"468"},{"full_name":"Reichl, C.","first_name":"C.","last_name":"Reichl"},{"full_name":"Wegscheider, W.","first_name":"W.","last_name":"Wegscheider"},{"full_name":"Brida, D.","last_name":"Brida","first_name":"D."},{"full_name":"Leitenstorfer, A.","last_name":"Leitenstorfer","first_name":"A."}],"publication_identifier":{"issn":["2041-1723"]},"title":"Signatures of transient Wannier-Stark localization in bulk gallium arsenide","year":"2018","doi":"10.1038/s41467-018-05229-x","language":[{"iso":"eng"}],"article_number":"2890","project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"},{"name":"TRR 142","_id":"53"},{"_id":"54","name":"TRR 142 - Project Area A"},{"_id":"59","name":"TRR 142 - Subproject A2"},{"name":"TRR 142 - Project Area B","_id":"55"},{"name":"TRR 142 - Subproject B4","_id":"69"},{"name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"citation":{"mla":"Schmidt, Claudia, et al. “Signatures of Transient Wannier-Stark Localization in Bulk Gallium Arsenide.” <i>Nature Communications</i>, vol. 9, 2890, 2018, doi:<a href=\"https://doi.org/10.1038/s41467-018-05229-x\">10.1038/s41467-018-05229-x</a>.","bibtex":"@article{Schmidt_Bühler_Heinrich_Allerbeck_Podzimski_Berghoff_Meier_Schmidt_Reichl_Wegscheider_et al._2018, title={Signatures of transient Wannier-Stark localization in bulk gallium arsenide}, volume={9}, DOI={<a href=\"https://doi.org/10.1038/s41467-018-05229-x\">10.1038/s41467-018-05229-x</a>}, number={2890}, journal={Nature Communications}, author={Schmidt, Claudia and Bühler, J. and Heinrich, A.-C. and Allerbeck, J. and Podzimski, R. and Berghoff, Daniel and Meier, Torsten and Schmidt, Wolf Gero and Reichl, C. and Wegscheider, W. and et al.}, year={2018} }","ama":"Schmidt C, Bühler J, Heinrich A-C, et al. Signatures of transient Wannier-Stark localization in bulk gallium arsenide. <i>Nature Communications</i>. 2018;9. doi:<a href=\"https://doi.org/10.1038/s41467-018-05229-x\">10.1038/s41467-018-05229-x</a>","ieee":"C. Schmidt <i>et al.</i>, “Signatures of transient Wannier-Stark localization in bulk gallium arsenide,” <i>Nature Communications</i>, vol. 9, Art. no. 2890, 2018, doi: <a href=\"https://doi.org/10.1038/s41467-018-05229-x\">10.1038/s41467-018-05229-x</a>.","apa":"Schmidt, C., Bühler, J., Heinrich, A.-C., Allerbeck, J., Podzimski, R., Berghoff, D., Meier, T., Schmidt, W. G., Reichl, C., Wegscheider, W., Brida, D., &#38; Leitenstorfer, A. (2018). Signatures of transient Wannier-Stark localization in bulk gallium arsenide. <i>Nature Communications</i>, <i>9</i>, Article 2890. <a href=\"https://doi.org/10.1038/s41467-018-05229-x\">https://doi.org/10.1038/s41467-018-05229-x</a>","chicago":"Schmidt, Claudia, J. Bühler, A.-C. Heinrich, J. Allerbeck, R. 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Materials 1, 034401 (2017)]}, volume={2}, DOI={<a href=\"https://doi.org/10.1103/PhysRevMaterials.2.019902\">10.1103/PhysRevMaterials.2.019902</a>}, number={1019902}, journal={Physical Review Materials}, publisher={American Physical Society}, author={Friedrich, Michael and Schmidt, Wolf Gero and Schindlmayr, Arno and Sanna, Simone}, year={2018} }","apa":"Friedrich, M., Schmidt, W. G., Schindlmayr, A., &#38; Sanna, S. (2018). Erratum: Optical properties of titanium-doped lithium niobate from time-dependent density-functional theory [Phys. Rev. Materials 1, 034401 (2017)]. <i>Physical Review Materials</i>, <i>2</i>(1). <a href=\"https://doi.org/10.1103/PhysRevMaterials.2.019902\">https://doi.org/10.1103/PhysRevMaterials.2.019902</a>","ieee":"M. Friedrich, W. G. Schmidt, A. Schindlmayr, and S. Sanna, “Erratum: Optical properties of titanium-doped lithium niobate from time-dependent density-functional theory [Phys. Rev. Materials 1, 034401 (2017)],” <i>Physical Review Materials</i>, vol. 2, no. 1, 2018.","chicago":"Friedrich, Michael, Wolf Gero Schmidt, Arno Schindlmayr, and Simone Sanna. “Erratum: Optical Properties of Titanium-Doped Lithium Niobate from Time-Dependent Density-Functional Theory [Phys. Rev. Materials 1, 034401 (2017)].” <i>Physical Review Materials</i> 2, no. 1 (2018). <a href=\"https://doi.org/10.1103/PhysRevMaterials.2.019902\">https://doi.org/10.1103/PhysRevMaterials.2.019902</a>.","short":"M. Friedrich, W.G. Schmidt, A. Schindlmayr, S. 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G. (2018). Electric Field Induced Raman Scattering at the Sb–InP(110) Interface: The Surface Dipole Contribution. <i>Physica Status Solidi (b)</i>, <i>256</i>, Article 1800314. <a href=\"https://doi.org/10.1002/pssb.201800314\">https://doi.org/10.1002/pssb.201800314</a>","ieee":"N. Esser and W. G. Schmidt, “Electric Field Induced Raman Scattering at the Sb–InP(110) Interface: The Surface Dipole Contribution,” <i>physica status solidi (b)</i>, no. 256, Art. no. 1800314, 2018, doi: <a href=\"https://doi.org/10.1002/pssb.201800314\">10.1002/pssb.201800314</a>.","chicago":"Esser, Norbert, and Wolf Gero Schmidt. “Electric Field Induced Raman Scattering at the Sb–InP(110) Interface: The Surface Dipole Contribution.” <i>Physica Status Solidi (b)</i>, no. 256 (2018). <a href=\"https://doi.org/10.1002/pssb.201800314\">https://doi.org/10.1002/pssb.201800314</a>.","short":"N. Esser, W.G. Schmidt, Physica Status Solidi (b) (2018).","ama":"Esser N, Schmidt WG. Electric Field Induced Raman Scattering at the Sb–InP(110) Interface: The Surface Dipole Contribution. <i>physica status solidi (b)</i>. 2018;(256). doi:<a href=\"https://doi.org/10.1002/pssb.201800314\">10.1002/pssb.201800314</a>","bibtex":"@article{Esser_Schmidt_2018, title={Electric Field Induced Raman Scattering at the Sb–InP(110) Interface: The Surface Dipole Contribution}, DOI={<a href=\"https://doi.org/10.1002/pssb.201800314\">10.1002/pssb.201800314</a>}, number={2561800314}, journal={physica status solidi (b)}, author={Esser, Norbert and Schmidt, Wolf Gero}, year={2018} }"},"issue":"256","publication":"physica status solidi (b)","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"},{"name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"},{"name":"TRR 142: TRR 142","_id":"53"},{"name":"TRR 142 - B: TRR 142 - Project Area B","_id":"55"},{"_id":"69","name":"TRR 142 - B4: TRR 142 - Subproject B4"}],"date_created":"2020-05-29T09:48:41Z","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"27"},{"_id":"230"},{"_id":"429"}],"type":"journal_article"},{"project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"},{"_id":"53","name":"TRR 142"},{"name":"TRR 142 - Project Area B","_id":"55"},{"name":"TRR 142 - Subproject B4","_id":"69"}],"publication":"Physical Review B","citation":{"bibtex":"@article{Landmann_Rauls_Schmidt_2017, title={Understanding band alignments in semiconductor heterostructures: Composition dependence and type-I–type-II transition of natural band offsets in nonpolar zinc-blendeAlxGa1−xN/AlyGa1−yNcomposites}, DOI={<a href=\"https://doi.org/10.1103/physrevb.95.155310\">10.1103/physrevb.95.155310</a>}, journal={Physical Review B}, author={Landmann, M. and Rauls, E. and Schmidt, Wolf Gero}, year={2017} }","ama":"Landmann M, Rauls E, Schmidt WG. Understanding band alignments in semiconductor heterostructures: Composition dependence and type-I–type-II transition of natural band offsets in nonpolar zinc-blendeAlxGa1−xN/AlyGa1−yNcomposites. <i>Physical Review B</i>. 2017. doi:<a href=\"https://doi.org/10.1103/physrevb.95.155310\">10.1103/physrevb.95.155310</a>","mla":"Landmann, M., et al. “Understanding Band Alignments in Semiconductor Heterostructures: Composition Dependence and Type-I–Type-II Transition of Natural Band Offsets in Nonpolar Zinc-BlendeAlxGa1−xN/AlyGa1−yNcomposites.” <i>Physical Review B</i>, 2017, doi:<a href=\"https://doi.org/10.1103/physrevb.95.155310\">10.1103/physrevb.95.155310</a>.","chicago":"Landmann, M., E. Rauls, and Wolf Gero Schmidt. “Understanding Band Alignments in Semiconductor Heterostructures: Composition Dependence and Type-I–Type-II Transition of Natural Band Offsets in Nonpolar Zinc-BlendeAlxGa1−xN/AlyGa1−yNcomposites.” <i>Physical Review B</i>, 2017. <a href=\"https://doi.org/10.1103/physrevb.95.155310\">https://doi.org/10.1103/physrevb.95.155310</a>.","short":"M. Landmann, E. Rauls, W.G. Schmidt, Physical Review B (2017).","ieee":"M. Landmann, E. Rauls, and W. G. Schmidt, “Understanding band alignments in semiconductor heterostructures: Composition dependence and type-I–type-II transition of natural band offsets in nonpolar zinc-blendeAlxGa1−xN/AlyGa1−yNcomposites,” <i>Physical Review B</i>, 2017.","apa":"Landmann, M., Rauls, E., &#38; Schmidt, W. G. (2017). Understanding band alignments in semiconductor heterostructures: Composition dependence and type-I–type-II transition of natural band offsets in nonpolar zinc-blendeAlxGa1−xN/AlyGa1−yNcomposites. <i>Physical Review B</i>. <a href=\"https://doi.org/10.1103/physrevb.95.155310\">https://doi.org/10.1103/physrevb.95.155310</a>"},"type":"journal_article","department":[{"_id":"15"}],"date_created":"2019-05-29T07:40:31Z","date_updated":"2022-01-06T06:50:24Z","publication_status":"published","year":"2017","title":"Understanding band alignments in semiconductor heterostructures: Composition dependence and type-I–type-II transition of natural band offsets in nonpolar zinc-blendeAlxGa1−xN/AlyGa1−yNcomposites","status":"public","author":[{"full_name":"Landmann, M.","first_name":"M.","last_name":"Landmann"},{"last_name":"Rauls","first_name":"E.","full_name":"Rauls, E."},{"full_name":"Schmidt, Wolf Gero","first_name":"Wolf Gero","orcid":"0000-0002-2717-5076","last_name":"Schmidt","id":"468"}],"publication_identifier":{"issn":["2469-9950","2469-9969"]},"doi":"10.1103/physrevb.95.155310","user_id":"16199","_id":"10020","language":[{"iso":"eng"}]},{"citation":{"mla":"Spychala, Kai J., et al. “Impact of Carbon-Ion Implantation on the Nonlinear Optical Susceptibility of LiNbO3.” <i>OPTICS EXPRESS</i>, no. 18, 2017, pp. 21444--21453, doi:<a href=\"https://doi.org/10.1364/OE.25.021444\">10.1364/OE.25.021444</a>.","bibtex":"@article{Spychala_Berth_Widhalm_Rüsing_Wang_Sanna_Zrenner_2017, title={Impact of carbon-ion implantation on the nonlinear optical susceptibility of LiNbO3}, DOI={<a href=\"https://doi.org/10.1364/OE.25.021444\">10.1364/OE.25.021444</a>}, number={18}, journal={OPTICS EXPRESS}, author={Spychala, Kai J. and Berth, Gerhard and Widhalm, Alex and Rüsing, Michael and Wang, Lei and Sanna, Simone and Zrenner, Artur}, year={2017}, pages={21444--21453} }","ama":"Spychala KJ, Berth G, Widhalm A, et al. Impact of carbon-ion implantation on the nonlinear optical susceptibility of LiNbO3. <i>OPTICS EXPRESS</i>. 2017;(18):21444--21453. doi:<a href=\"https://doi.org/10.1364/OE.25.021444\">10.1364/OE.25.021444</a>","ieee":"K. J. Spychala <i>et al.</i>, “Impact of carbon-ion implantation on the nonlinear optical susceptibility of LiNbO3,” <i>OPTICS EXPRESS</i>, no. 18, pp. 21444--21453, 2017, doi: <a href=\"https://doi.org/10.1364/OE.25.021444\">10.1364/OE.25.021444</a>.","apa":"Spychala, K. J., Berth, G., Widhalm, A., Rüsing, M., Wang, L., Sanna, S., &#38; Zrenner, A. (2017). Impact of carbon-ion implantation on the nonlinear optical susceptibility of LiNbO3. <i>OPTICS EXPRESS</i>, <i>18</i>, 21444--21453. <a href=\"https://doi.org/10.1364/OE.25.021444\">https://doi.org/10.1364/OE.25.021444</a>","short":"K.J. Spychala, G. Berth, A. Widhalm, M. Rüsing, L. Wang, S. Sanna, A. Zrenner, OPTICS EXPRESS (2017) 21444--21453.","chicago":"Spychala, Kai J., Gerhard Berth, Alex Widhalm, Michael Rüsing, Lei Wang, Simone Sanna, and Artur Zrenner. “Impact of Carbon-Ion Implantation on the Nonlinear Optical Susceptibility of LiNbO3.” <i>OPTICS EXPRESS</i>, no. 18 (2017): 21444--21453. <a href=\"https://doi.org/10.1364/OE.25.021444\">https://doi.org/10.1364/OE.25.021444</a>."},"project":[{"grant_number":"231447078","_id":"53","name":"TRR 142"},{"name":"TRR 142 - Project Area B","_id":"55"},{"_id":"68","grant_number":"231447078","name":"TRR 142 - Subproject B3"}],"page":"21444--21453","_id":"3434","user_id":"14931","status":"public","date_created":"2018-07-05T11:53:46Z","type":"journal_article","department":[{"_id":"15"},{"_id":"230"},{"_id":"35"}],"issue":"18","publication":"OPTICS EXPRESS","abstract":[{"lang":"eng","text":"In this work we study the impact of ion implantation on the nonlinear optical properties in MgO:LiNbO3 via confocal second-harmonic microscopy. In detail, we spatially characterize the nonlinear susceptibility in carbon-ion implanted lithium niobate planar waveguides for different implantation energies and fluences, as well as the effect of annealing. In a further step, a computational simulation is used to calculate the implantation range of carbon-ions and the corresponding defect density distribution. A comparison between the simulation and the experimental data indicates that the depth profile of the second-order effective nonlinear coefficient is directly connected to the defect density that is induced by the ion irradiation. Furthermore it can be demonstrated that the annealing treatment partially recovers the second-order optical susceptibility."}],"language":[{"iso":"eng"}],"doi":"10.1364/OE.25.021444","year":"2017","title":"Impact of carbon-ion implantation on the nonlinear optical susceptibility of LiNbO3","publication_identifier":{"issn":["1094-4087"]},"author":[{"full_name":"Spychala, Kai J.","first_name":"Kai J.","last_name":"Spychala"},{"full_name":"Berth, Gerhard","first_name":"Gerhard","last_name":"Berth","id":"53"},{"first_name":"Alex","last_name":"Widhalm","full_name":"Widhalm, Alex"},{"id":"22501","orcid":"0000-0003-4682-4577","last_name":"Rüsing","first_name":"Michael","full_name":"Rüsing, Michael"},{"full_name":"Wang, Lei","last_name":"Wang","first_name":"Lei"},{"first_name":"Simone","last_name":"Sanna","full_name":"Sanna, Simone"},{"orcid":"0000-0002-5190-0944","first_name":"Artur","last_name":"Zrenner","full_name":"Zrenner, Artur","id":"606"}],"publication_status":"published","date_updated":"2023-10-09T08:10:58Z","article_type":"original"}]