[{"user_id":"16199","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"230"},{"_id":"429"},{"_id":"35"},{"_id":"790"}],"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"},{"_id":"52","name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing"},{"name":"TRR 142: Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen","_id":"53"}],"_id":"17068","language":[{"iso":"eng"}],"type":"journal_article","publication":"Physical Review Letters","status":"public","date_created":"2020-05-29T09:54:43Z","author":[{"full_name":"Braun, Christian","last_name":"Braun","first_name":"Christian"},{"last_name":"Neufeld","id":"23261","full_name":"Neufeld, Sergej","first_name":"Sergej"},{"first_name":"Uwe","last_name":"Gerstmann","orcid":"0000-0002-4476-223X","full_name":"Gerstmann, Uwe","id":"171"},{"first_name":"S.","last_name":"Sanna","full_name":"Sanna, S."},{"first_name":"J.","full_name":"Plaickner, J.","last_name":"Plaickner"},{"last_name":"Speiser","full_name":"Speiser, E.","first_name":"E."},{"last_name":"Esser","full_name":"Esser, N.","first_name":"N."},{"full_name":"Schmidt, Wolf Gero","id":"468","orcid":"0000-0002-2717-5076","last_name":"Schmidt","first_name":"Wolf Gero"}],"volume":124,"date_updated":"2025-12-05T13:59:21Z","doi":"10.1103/physrevlett.124.146802","title":"Vibration-Driven Self-Doping of Dangling-Bond Wires on Si(553)-Au Surfaces","issue":"14","publication_status":"published","publication_identifier":{"issn":["0031-9007","1079-7114"]},"citation":{"apa":"Braun, C., Neufeld, S., Gerstmann, U., Sanna, S., Plaickner, J., Speiser, E., Esser, N., &#38; Schmidt, W. G. (2020). Vibration-Driven Self-Doping of Dangling-Bond Wires on Si(553)-Au Surfaces. <i>Physical Review Letters</i>, <i>124</i>(14). <a href=\"https://doi.org/10.1103/physrevlett.124.146802\">https://doi.org/10.1103/physrevlett.124.146802</a>","mla":"Braun, Christian, et al. “Vibration-Driven Self-Doping of Dangling-Bond Wires on Si(553)-Au Surfaces.” <i>Physical Review Letters</i>, vol. 124, no. 14, 2020, doi:<a href=\"https://doi.org/10.1103/physrevlett.124.146802\">10.1103/physrevlett.124.146802</a>.","short":"C. Braun, S. Neufeld, U. Gerstmann, S. Sanna, J. Plaickner, E. Speiser, N. Esser, W.G. Schmidt, Physical Review Letters 124 (2020).","bibtex":"@article{Braun_Neufeld_Gerstmann_Sanna_Plaickner_Speiser_Esser_Schmidt_2020, title={Vibration-Driven Self-Doping of Dangling-Bond Wires on Si(553)-Au Surfaces}, volume={124}, DOI={<a href=\"https://doi.org/10.1103/physrevlett.124.146802\">10.1103/physrevlett.124.146802</a>}, number={14}, journal={Physical Review Letters}, author={Braun, Christian and Neufeld, Sergej and Gerstmann, Uwe and Sanna, S. and Plaickner, J. and Speiser, E. and Esser, N. and Schmidt, Wolf Gero}, year={2020} }","ama":"Braun C, Neufeld S, Gerstmann U, et al. Vibration-Driven Self-Doping of Dangling-Bond Wires on Si(553)-Au Surfaces. <i>Physical Review Letters</i>. 2020;124(14). doi:<a href=\"https://doi.org/10.1103/physrevlett.124.146802\">10.1103/physrevlett.124.146802</a>","chicago":"Braun, Christian, Sergej Neufeld, Uwe Gerstmann, S. Sanna, J. Plaickner, E. Speiser, N. Esser, and Wolf Gero Schmidt. “Vibration-Driven Self-Doping of Dangling-Bond Wires on Si(553)-Au Surfaces.” <i>Physical Review Letters</i> 124, no. 14 (2020). <a href=\"https://doi.org/10.1103/physrevlett.124.146802\">https://doi.org/10.1103/physrevlett.124.146802</a>.","ieee":"C. Braun <i>et al.</i>, “Vibration-Driven Self-Doping of Dangling-Bond Wires on Si(553)-Au Surfaces,” <i>Physical Review Letters</i>, vol. 124, no. 14, 2020, doi: <a href=\"https://doi.org/10.1103/physrevlett.124.146802\">10.1103/physrevlett.124.146802</a>."},"intvolume":"       124","year":"2020"},{"author":[{"first_name":"F. H.","full_name":"Cho, F. H.","last_name":"Cho"},{"last_name":"Peng","full_name":"Peng, Z.","first_name":"Z."},{"full_name":"Biktagirov, T.","last_name":"Biktagirov","first_name":"T."},{"first_name":"Uwe","last_name":"Gerstmann","full_name":"Gerstmann, Uwe","id":"171"},{"full_name":"Takahashi, S.","last_name":"Takahashi","first_name":"S."}],"date_created":"2019-09-19T07:19:13Z","volume":150,"date_updated":"2022-01-06T06:51:32Z","doi":"10.1063/1.5085351","title":"Investigation of Near-Surface Defects of Nanodiamonds by High-Frequency EPR and DFT Calculation","issue":"13","citation":{"apa":"Cho, F. H., Peng, Z., Biktagirov, T., Gerstmann, U., &#38; Takahashi, S. (2019). Investigation of Near-Surface Defects of Nanodiamonds by High-Frequency EPR and DFT Calculation. <i>The Journal of Chemical Physics</i>, <i>150</i>(13), 134702. <a href=\"https://doi.org/10.1063/1.5085351\">https://doi.org/10.1063/1.5085351</a>","mla":"Cho, F. H., et al. “Investigation of Near-Surface Defects of Nanodiamonds by High-Frequency EPR and DFT Calculation.” <i>The Journal of Chemical Physics</i>, vol. 150, no. 13, 2019, p. 134702, doi:<a href=\"https://doi.org/10.1063/1.5085351\">10.1063/1.5085351</a>.","bibtex":"@article{Cho_Peng_Biktagirov_Gerstmann_Takahashi_2019, title={Investigation of Near-Surface Defects of Nanodiamonds by High-Frequency EPR and DFT Calculation}, volume={150}, DOI={<a href=\"https://doi.org/10.1063/1.5085351\">10.1063/1.5085351</a>}, number={13}, journal={The Journal of Chemical Physics}, author={Cho, F. H. and Peng, Z. and Biktagirov, T. and Gerstmann, Uwe and Takahashi, S.}, year={2019}, pages={134702} }","short":"F.H. Cho, Z. Peng, T. Biktagirov, U. Gerstmann, S. Takahashi, The Journal of Chemical Physics 150 (2019) 134702.","ama":"Cho FH, Peng Z, Biktagirov T, Gerstmann U, Takahashi S. Investigation of Near-Surface Defects of Nanodiamonds by High-Frequency EPR and DFT Calculation. <i>The Journal of Chemical Physics</i>. 2019;150(13):134702. doi:<a href=\"https://doi.org/10.1063/1.5085351\">10.1063/1.5085351</a>","chicago":"Cho, F. H., Z. Peng, T. Biktagirov, Uwe Gerstmann, and S. Takahashi. “Investigation of Near-Surface Defects of Nanodiamonds by High-Frequency EPR and DFT Calculation.” <i>The Journal of Chemical Physics</i> 150, no. 13 (2019): 134702. <a href=\"https://doi.org/10.1063/1.5085351\">https://doi.org/10.1063/1.5085351</a>.","ieee":"F. H. Cho, Z. Peng, T. Biktagirov, U. Gerstmann, and S. Takahashi, “Investigation of Near-Surface Defects of Nanodiamonds by High-Frequency EPR and DFT Calculation,” <i>The Journal of Chemical Physics</i>, vol. 150, no. 13, p. 134702, 2019."},"intvolume":"       150","page":"134702","year":"2019","user_id":"40778","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"_id":"13294","language":[{"iso":"eng"}],"type":"journal_article","publication":"The Journal of Chemical Physics","status":"public"},{"title":"Proton Irradiation Induced Defects in β-Ga2O3: A Combined EPR and Theory Study","doi":"10.1063/1.5053158","date_updated":"2022-01-06T06:51:32Z","volume":7,"date_created":"2019-09-19T07:23:23Z","author":[{"last_name":"von Bardeleben","full_name":"von Bardeleben, Hans Jürgen","first_name":"Hans Jürgen"},{"first_name":"Shengqiang","full_name":"Zhou, Shengqiang","last_name":"Zhou"},{"last_name":"Gerstmann","full_name":"Gerstmann, Uwe","id":"171","first_name":"Uwe"},{"first_name":"Dmitry","last_name":"Skachkov","full_name":"Skachkov, Dmitry"},{"full_name":"Lambrecht, Walter R. L.","last_name":"Lambrecht","first_name":"Walter R. L."},{"full_name":"Ho, Quoc Duy","last_name":"Ho","first_name":"Quoc Duy"},{"first_name":"Peter","last_name":"Deák","full_name":"Deák, Peter"}],"year":"2019","intvolume":"         7","citation":{"chicago":"Bardeleben, Hans Jürgen von, Shengqiang Zhou, Uwe Gerstmann, Dmitry Skachkov, Walter R. L. Lambrecht, Quoc Duy Ho, and Peter Deák. “Proton Irradiation Induced Defects in β-Ga2O3: A Combined EPR and Theory Study.” <i>APL Materials</i> 7 (2019). <a href=\"https://doi.org/10.1063/1.5053158\">https://doi.org/10.1063/1.5053158</a>.","ieee":"H. J. von Bardeleben <i>et al.</i>, “Proton Irradiation Induced Defects in β-Ga2O3: A Combined EPR and Theory Study,” <i>APL Materials</i>, vol. 7, 2019.","ama":"von Bardeleben HJ, Zhou S, Gerstmann U, et al. Proton Irradiation Induced Defects in β-Ga2O3: A Combined EPR and Theory Study. <i>APL Materials</i>. 2019;7. doi:<a href=\"https://doi.org/10.1063/1.5053158\">10.1063/1.5053158</a>","mla":"von Bardeleben, Hans Jürgen, et al. “Proton Irradiation Induced Defects in β-Ga2O3: A Combined EPR and Theory Study.” <i>APL Materials</i>, vol. 7, 022521, 2019, doi:<a href=\"https://doi.org/10.1063/1.5053158\">10.1063/1.5053158</a>.","bibtex":"@article{von Bardeleben_Zhou_Gerstmann_Skachkov_Lambrecht_Ho_Deák_2019, title={Proton Irradiation Induced Defects in β-Ga2O3: A Combined EPR and Theory Study}, volume={7}, DOI={<a href=\"https://doi.org/10.1063/1.5053158\">10.1063/1.5053158</a>}, number={022521}, journal={APL Materials}, author={von Bardeleben, Hans Jürgen and Zhou, Shengqiang and Gerstmann, Uwe and Skachkov, Dmitry and Lambrecht, Walter R. L. and Ho, Quoc Duy and Deák, Peter}, year={2019} }","short":"H.J. von Bardeleben, S. Zhou, U. Gerstmann, D. Skachkov, W.R.L. Lambrecht, Q.D. Ho, P. Deák, APL Materials 7 (2019).","apa":"von Bardeleben, H. J., Zhou, S., Gerstmann, U., Skachkov, D., Lambrecht, W. R. L., Ho, Q. D., &#38; Deák, P. (2019). Proton Irradiation Induced Defects in β-Ga2O3: A Combined EPR and Theory Study. <i>APL Materials</i>, <i>7</i>. <a href=\"https://doi.org/10.1063/1.5053158\">https://doi.org/10.1063/1.5053158</a>"},"publication_status":"published","article_number":"022521","language":[{"iso":"eng"}],"_id":"13295","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"user_id":"40778","status":"public","publication":"APL Materials","type":"journal_article"},{"citation":{"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>","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>.","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).","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>.","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>.","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>"},"intvolume":"        99","publication_status":"published","publication_identifier":{"issn":["2469-9950","2469-9969"]},"doi":"10.1103/physrevb.99.155107","date_updated":"2023-04-20T14:22:46Z","author":[{"first_name":"C. W.","last_name":"Nicholson","full_name":"Nicholson, C. W."},{"first_name":"M.","last_name":"Puppin","full_name":"Puppin, M."},{"full_name":"Lücke, A.","last_name":"Lücke","first_name":"A."},{"first_name":"Uwe","full_name":"Gerstmann, Uwe","id":"171","orcid":"0000-0002-4476-223X","last_name":"Gerstmann"},{"full_name":"Krenz, Marvin","id":"52309","last_name":"Krenz","first_name":"Marvin"},{"full_name":"Schmidt, Wolf Gero","id":"468","last_name":"Schmidt","orcid":"0000-0002-2717-5076","first_name":"Wolf Gero"},{"full_name":"Rettig, L.","last_name":"Rettig","first_name":"L."},{"last_name":"Ernstorfer","full_name":"Ernstorfer, R.","first_name":"R."},{"last_name":"Wolf","full_name":"Wolf, M.","first_name":"M."}],"volume":99,"status":"public","type":"journal_article","article_number":"155107","project":[{"_id":"52","name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing"},{"name":"TRR 142: TRR 142","_id":"53"},{"_id":"55","name":"TRR 142 - B: TRR 142 - Project Area B"},{"_id":"69","name":"TRR 142 - B4: TRR 142 - Subproject B4"}],"_id":"29746","user_id":"16199","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"230"},{"_id":"35"}],"year":"2019","issue":"15","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","publisher":"American Physical Society (APS)","date_created":"2022-02-03T15:26:06Z","publication":"Physical Review B","language":[{"iso":"eng"}]},{"year":"2019","quality_controlled":"1","title":"Potassium titanyl phosphate (KTP) quasiparticle energies and optical response","date_created":"2019-09-19T14:34:16Z","publisher":"IOP Publishing","file":[{"date_updated":"2020-08-30T14:29:27Z","date_created":"2020-08-28T09:07:18Z","creator":"schindlm","file_size":1481174,"description":"Creative Commons Attribution 3.0 Unported Public License (CC BY 3.0)","title":"Potassium titanyl phosphate (KTP) quasiparticle energies and optical response","file_id":"18535","access_level":"open_access","file_name":"Neufeld_2019_J._Phys._Mater._2_045003.pdf","content_type":"application/pdf","relation":"main_file"}],"abstract":[{"lang":"eng","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."}],"publication":"Journal of Physics: Materials","language":[{"iso":"eng"}],"ddc":["530"],"external_id":{"isi":["000560410300003"]},"intvolume":"         2","page":"045003","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>.","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>.","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} }","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>.","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>"},"publication_identifier":{"eissn":["2515-7639"]},"has_accepted_license":"1","publication_status":"published","doi":"10.1088/2515-7639/ab29ba","volume":2,"author":[{"id":"23261","full_name":"Neufeld, Sergej","last_name":"Neufeld","first_name":"Sergej"},{"first_name":"Adriana","full_name":"Bocchini, Adriana","id":"58349","orcid":"https://orcid.org/0000-0002-2134-3075","last_name":"Bocchini"},{"orcid":"0000-0002-4476-223X","last_name":"Gerstmann","full_name":"Gerstmann, Uwe","id":"171","first_name":"Uwe"},{"last_name":"Schindlmayr","orcid":"0000-0002-4855-071X","full_name":"Schindlmayr, Arno","id":"458","first_name":"Arno"},{"full_name":"Schmidt, Wolf Gero","id":"468","orcid":"0000-0002-2717-5076","last_name":"Schmidt","first_name":"Wolf Gero"}],"oa":"1","date_updated":"2023-04-21T11:36:12Z","status":"public","type":"journal_article","file_date_updated":"2020-08-30T14:29:27Z","isi":"1","article_type":"original","department":[{"_id":"296"},{"_id":"295"},{"_id":"230"},{"_id":"429"},{"_id":"170"},{"_id":"35"}],"user_id":"171","_id":"13365","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"},{"_id":"69","name":"TRR 142 - Subproject B4"},{"name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}]},{"year":"2019","intvolume":"        31","page":"385401","citation":{"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>.","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>.","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>","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} }","apa":"Bocchini, A., Neufeld, S., Gerstmann, U., &#38; Schmidt, W. G. (2019). 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