[{"year":"2015","issue":"22","title":"Raman scattering efficiency in LiTaO3 and LiNbO3 crystals","date_created":"2018-08-30T13:51:38Z","publisher":"American Physical Society (APS)","abstract":[{"lang":"eng","text":"LiTaO3 and LiNbO3 crystals are investigated here in a combined experimental and theoretical study that uses Raman spectroscopy in a complete set of scattering geometries and corresponding density-functional theory calculations to provide microscopic information on their vibrational properties. The Raman scattering efficiency is computed from first principles in order to univocally assign the measured Raman peaks to the calculated eigenvectors. Measured and calculated Raman spectra are shown to be in qualitative agreement and confirm the mode assignment by Margueron et al. [J. Appl. Phys. 111, 104105 (2012)], thus finally settling a long debate. While the two crystals show rather similar vibrational properties overall, the E-TO9 mode is markedly different in the two oxides. The deviations are explained by a different anion-cation bond type in LiTaO3 and LiNbO3 crystals."}],"publication":"Physical Review B","language":[{"iso":"eng"}],"citation":{"mla":"Sanna, Simone, et al. “Raman Scattering Efficiency in LiTaO3 and LiNbO3 Crystals.” <i>Physical Review B</i>, vol. 91, no. 22, American Physical Society (APS), 2015, doi:<a href=\"https://doi.org/10.1103/physrevb.91.224302\">10.1103/physrevb.91.224302</a>.","bibtex":"@article{Sanna_Neufeld_Rüsing_Berth_Zrenner_Schmidt_2015, title={Raman scattering efficiency in LiTaO3 and LiNbO3 crystals}, volume={91}, DOI={<a href=\"https://doi.org/10.1103/physrevb.91.224302\">10.1103/physrevb.91.224302</a>}, number={22}, journal={Physical Review B}, publisher={American Physical Society (APS)}, author={Sanna, Simone and Neufeld, Sergej and Rüsing, Michael and Berth, Gerhard and Zrenner, Artur and Schmidt, Wolf Gero}, year={2015} }","short":"S. Sanna, S. Neufeld, M. Rüsing, G. Berth, A. Zrenner, W.G. Schmidt, Physical Review B 91 (2015).","apa":"Sanna, S., Neufeld, S., Rüsing, M., Berth, G., Zrenner, A., &#38; Schmidt, W. G. (2015). Raman scattering efficiency in LiTaO3 and LiNbO3 crystals. <i>Physical Review B</i>, <i>91</i>(22). <a href=\"https://doi.org/10.1103/physrevb.91.224302\">https://doi.org/10.1103/physrevb.91.224302</a>","chicago":"Sanna, Simone, Sergej Neufeld, Michael Rüsing, Gerhard Berth, Artur Zrenner, and Wolf Gero Schmidt. “Raman Scattering Efficiency in LiTaO3 and LiNbO3 Crystals.” <i>Physical Review B</i> 91, no. 22 (2015). <a href=\"https://doi.org/10.1103/physrevb.91.224302\">https://doi.org/10.1103/physrevb.91.224302</a>.","ieee":"S. Sanna, S. Neufeld, M. Rüsing, G. Berth, A. Zrenner, and W. G. Schmidt, “Raman scattering efficiency in LiTaO3 and LiNbO3 crystals,” <i>Physical Review B</i>, vol. 91, no. 22, 2015, doi: <a href=\"https://doi.org/10.1103/physrevb.91.224302\">10.1103/physrevb.91.224302</a>.","ama":"Sanna S, Neufeld S, Rüsing M, Berth G, Zrenner A, Schmidt WG. Raman scattering efficiency in LiTaO3 and LiNbO3 crystals. <i>Physical Review B</i>. 2015;91(22). doi:<a href=\"https://doi.org/10.1103/physrevb.91.224302\">10.1103/physrevb.91.224302</a>"},"intvolume":"        91","publication_status":"published","publication_identifier":{"issn":["1098-0121","1550-235X"]},"doi":"10.1103/physrevb.91.224302","author":[{"last_name":"Sanna","full_name":"Sanna, Simone","first_name":"Simone"},{"last_name":"Neufeld","id":"23261","full_name":"Neufeld, Sergej","first_name":"Sergej"},{"full_name":"Rüsing, Michael","id":"22501","last_name":"Rüsing","orcid":"0000-0003-4682-4577","first_name":"Michael"},{"full_name":"Berth, Gerhard","id":"53","last_name":"Berth","first_name":"Gerhard"},{"orcid":"0000-0002-5190-0944","last_name":"Zrenner","id":"606","full_name":"Zrenner, Artur","first_name":"Artur"},{"last_name":"Schmidt","orcid":"0000-0002-2717-5076","full_name":"Schmidt, Wolf Gero","id":"468","first_name":"Wolf Gero"}],"volume":91,"date_updated":"2023-10-11T07:25:58Z","status":"public","type":"journal_article","funded_apc":"1","article_type":"original","user_id":"22501","department":[{"_id":"15"},{"_id":"230"}],"project":[{"grant_number":"231447078","name":"TRR 142","_id":"53"},{"name":"TRR 142 - Project Area B","_id":"55"},{"name":"TRR 142 - Subproject B3","_id":"68","grant_number":"231447078"},{"grant_number":"231447078","_id":"69","name":"TRR 142 - Subproject B4"},{"_id":"52","name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"_id":"4332"},{"volume":15,"author":[{"first_name":"Franziska","last_name":"Zeuner","full_name":"Zeuner, Franziska"},{"first_name":"Mulda","last_name":"Muldarisnur","full_name":"Muldarisnur, Mulda"},{"full_name":"Hildebrandt, Andre","last_name":"Hildebrandt","first_name":"Andre"},{"orcid":"0000-0001-7059-9862","last_name":"Förstner","id":"158","full_name":"Förstner, Jens","first_name":"Jens"},{"first_name":"Thomas","full_name":"Zentgraf, Thomas","id":"30525","orcid":"0000-0002-8662-1101","last_name":"Zentgraf"}],"date_updated":"2025-01-08T08:58:05Z","oa":"1","doi":"10.1021/acs.nanolett.5b01381","has_accepted_license":"1","publication_identifier":{"issn":["1530-6984","1530-6992"]},"publication_status":"published","intvolume":"        15","page":"4189-4193","citation":{"ama":"Zeuner F, Muldarisnur M, Hildebrandt A, Förstner J, Zentgraf T. Coupling Mediated Coherent Control of Localized Surface Plasmon Polaritons. <i>Nano Letters</i>. 2015;15(6):4189-4193. doi:<a href=\"https://doi.org/10.1021/acs.nanolett.5b01381\">10.1021/acs.nanolett.5b01381</a>","chicago":"Zeuner, Franziska, Mulda Muldarisnur, Andre Hildebrandt, Jens Förstner, and Thomas Zentgraf. “Coupling Mediated Coherent Control of Localized Surface Plasmon Polaritons.” <i>Nano Letters</i> 15, no. 6 (2015): 4189–93. <a href=\"https://doi.org/10.1021/acs.nanolett.5b01381\">https://doi.org/10.1021/acs.nanolett.5b01381</a>.","ieee":"F. Zeuner, M. Muldarisnur, A. Hildebrandt, J. Förstner, and T. Zentgraf, “Coupling Mediated Coherent Control of Localized Surface Plasmon Polaritons,” <i>Nano Letters</i>, vol. 15, no. 6, pp. 4189–4193, 2015, doi: <a href=\"https://doi.org/10.1021/acs.nanolett.5b01381\">10.1021/acs.nanolett.5b01381</a>.","bibtex":"@article{Zeuner_Muldarisnur_Hildebrandt_Förstner_Zentgraf_2015, title={Coupling Mediated Coherent Control of Localized Surface Plasmon Polaritons}, volume={15}, DOI={<a href=\"https://doi.org/10.1021/acs.nanolett.5b01381\">10.1021/acs.nanolett.5b01381</a>}, number={6}, journal={Nano Letters}, publisher={American Chemical Society (ACS)}, author={Zeuner, Franziska and Muldarisnur, Mulda and Hildebrandt, Andre and Förstner, Jens and Zentgraf, Thomas}, year={2015}, pages={4189–4193} }","mla":"Zeuner, Franziska, et al. “Coupling Mediated Coherent Control of Localized Surface Plasmon Polaritons.” <i>Nano Letters</i>, vol. 15, no. 6, American Chemical Society (ACS), 2015, pp. 4189–93, doi:<a href=\"https://doi.org/10.1021/acs.nanolett.5b01381\">10.1021/acs.nanolett.5b01381</a>.","short":"F. Zeuner, M. Muldarisnur, A. Hildebrandt, J. Förstner, T. Zentgraf, Nano Letters 15 (2015) 4189–4193.","apa":"Zeuner, F., Muldarisnur, M., Hildebrandt, A., Förstner, J., &#38; Zentgraf, T. (2015). Coupling Mediated Coherent Control of Localized Surface Plasmon Polaritons. <i>Nano Letters</i>, <i>15</i>(6), 4189–4193. <a href=\"https://doi.org/10.1021/acs.nanolett.5b01381\">https://doi.org/10.1021/acs.nanolett.5b01381</a>"},"department":[{"_id":"15"},{"_id":"230"},{"_id":"61"},{"_id":"289"}],"user_id":"30525","_id":"1697","project":[{"grant_number":"231447078","_id":"53","name":"TRR 142: TRR 142 - Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen"},{"_id":"54","name":"TRR 142 - A: TRR 142 - Project Area A"},{"grant_number":"231447078","name":"TRR 142 - A05: TRR 142 - Plasmonische Nanoantennen verstärkte Licht Emission und Frequenz Konversion in dielektrischen und Halbleiter-Mikrostrukturen (A05)","_id":"62"}],"file_date_updated":"2018-09-04T19:22:48Z","type":"journal_article","status":"public","urn":"16979","date_created":"2018-03-22T18:34:34Z","publisher":"American Chemical Society (ACS)","title":"Coupling Mediated Coherent Control of Localized Surface Plasmon Polaritons","issue":"6","year":"2015","language":[{"iso":"eng"}],"keyword":["tet_topic_plasmonics"],"ddc":["530"],"publication":"Nano Letters","file":[{"file_size":272432,"file_id":"3919","file_name":"2015-04 Zeuner THG Nanoletter.pdf","access_level":"open_access","date_updated":"2018-09-04T19:22:48Z","date_created":"2018-08-16T08:18:28Z","creator":"fossie","relation":"main_file","content_type":"application/pdf"}]},{"user_id":"30525","department":[{"_id":"15"},{"_id":"230"}],"project":[{"_id":"53","name":"TRR 142: TRR 142 - Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen","grant_number":"231447078"},{"_id":"54","name":"TRR 142 - A: TRR 142 - Project Area A"},{"name":"TRR 142 - A05: TRR 142 - Plasmonische Nanoantennen verstärkte Licht Emission und Frequenz Konversion in dielektrischen und Halbleiter-Mikrostrukturen (A05)","_id":"62","grant_number":"231447078"}],"_id":"1699","language":[{"iso":"eng"}],"type":"journal_article","publication":"Nature Materials","status":"public","author":[{"last_name":"Li","full_name":"Li, Guixin","first_name":"Guixin"},{"first_name":"Shumei","full_name":"Chen, Shumei","last_name":"Chen"},{"last_name":"Pholchai","full_name":"Pholchai, Nitipat","first_name":"Nitipat"},{"first_name":"Bernhard","full_name":"Reineke, Bernhard","last_name":"Reineke"},{"first_name":"Polis Wing Han","last_name":"Wong","full_name":"Wong, Polis Wing Han"},{"first_name":"Edwin Yue Bun","last_name":"Pun","full_name":"Pun, Edwin Yue Bun"},{"first_name":"Kok Wai","last_name":"Cheah","full_name":"Cheah, Kok Wai"},{"first_name":"Thomas","last_name":"Zentgraf","orcid":"0000-0002-8662-1101","full_name":"Zentgraf, Thomas","id":"30525"},{"first_name":"Shuang","full_name":"Zhang, Shuang","last_name":"Zhang"}],"date_created":"2018-03-22T18:36:05Z","volume":14,"publisher":"Springer Nature","date_updated":"2025-01-08T09:00:29Z","doi":"10.1038/nmat4267","title":"Continuous control of the nonlinearity phase for harmonic generations","issue":"6","publication_status":"published","publication_identifier":{"issn":["1476-1122","1476-4660"]},"citation":{"short":"G. Li, S. Chen, N. Pholchai, B. Reineke, P.W.H. Wong, E.Y.B. Pun, K.W. Cheah, T. Zentgraf, S. Zhang, Nature Materials 14 (2015) 607–612.","bibtex":"@article{Li_Chen_Pholchai_Reineke_Wong_Pun_Cheah_Zentgraf_Zhang_2015, title={Continuous control of the nonlinearity phase for harmonic generations}, volume={14}, DOI={<a href=\"https://doi.org/10.1038/nmat4267\">10.1038/nmat4267</a>}, number={6}, journal={Nature Materials}, publisher={Springer Nature}, author={Li, Guixin and Chen, Shumei and Pholchai, Nitipat and Reineke, Bernhard and Wong, Polis Wing Han and Pun, Edwin Yue Bun and Cheah, Kok Wai and Zentgraf, Thomas and Zhang, Shuang}, year={2015}, pages={607–612} }","mla":"Li, Guixin, et al. “Continuous Control of the Nonlinearity Phase for Harmonic Generations.” <i>Nature Materials</i>, vol. 14, no. 6, Springer Nature, 2015, pp. 607–12, doi:<a href=\"https://doi.org/10.1038/nmat4267\">10.1038/nmat4267</a>.","apa":"Li, G., Chen, S., Pholchai, N., Reineke, B., Wong, P. W. H., Pun, E. Y. B., Cheah, K. W., Zentgraf, T., &#38; Zhang, S. (2015). Continuous control of the nonlinearity phase for harmonic generations. <i>Nature Materials</i>, <i>14</i>(6), 607–612. <a href=\"https://doi.org/10.1038/nmat4267\">https://doi.org/10.1038/nmat4267</a>","ama":"Li G, Chen S, Pholchai N, et al. Continuous control of the nonlinearity phase for harmonic generations. <i>Nature Materials</i>. 2015;14(6):607-612. doi:<a href=\"https://doi.org/10.1038/nmat4267\">10.1038/nmat4267</a>","chicago":"Li, Guixin, Shumei Chen, Nitipat Pholchai, Bernhard Reineke, Polis Wing Han Wong, Edwin Yue Bun Pun, Kok Wai Cheah, Thomas Zentgraf, and Shuang Zhang. “Continuous Control of the Nonlinearity Phase for Harmonic Generations.” <i>Nature Materials</i> 14, no. 6 (2015): 607–12. <a href=\"https://doi.org/10.1038/nmat4267\">https://doi.org/10.1038/nmat4267</a>.","ieee":"G. Li <i>et al.</i>, “Continuous control of the nonlinearity phase for harmonic generations,” <i>Nature Materials</i>, vol. 14, no. 6, pp. 607–612, 2015, doi: <a href=\"https://doi.org/10.1038/nmat4267\">10.1038/nmat4267</a>."},"intvolume":"        14","page":"607-612","year":"2015"},{"doi":"10.1088/0953-8984/27/38/385402","author":[{"last_name":"Friedrich","full_name":"Friedrich, Michael","first_name":"Michael"},{"first_name":"Arthur","full_name":"Riefer, Arthur","last_name":"Riefer"},{"first_name":"Simone","full_name":"Sanna, Simone","last_name":"Sanna"},{"first_name":"Wolf Gero","last_name":"Schmidt","orcid":"0000-0002-2717-5076","full_name":"Schmidt, Wolf Gero","id":"468"},{"first_name":"Arno","id":"458","full_name":"Schindlmayr, Arno","orcid":"0000-0002-4855-071X","last_name":"Schindlmayr"}],"volume":27,"date_updated":"2025-12-05T10:00:42Z","citation":{"short":"M. Friedrich, A. Riefer, S. Sanna, W.G. Schmidt, A. Schindlmayr, Journal of Physics: Condensed Matter 27 (2015).","bibtex":"@article{Friedrich_Riefer_Sanna_Schmidt_Schindlmayr_2015, title={Phonon dispersion and zero-point renormalization of LiNbO3 from density-functional perturbation theory}, volume={27}, DOI={<a href=\"https://doi.org/10.1088/0953-8984/27/38/385402\">10.1088/0953-8984/27/38/385402</a>}, number={38385402}, journal={Journal of Physics: Condensed Matter}, publisher={IOP Publishing}, author={Friedrich, Michael and Riefer, Arthur and Sanna, Simone and Schmidt, Wolf Gero and Schindlmayr, Arno}, year={2015} }","mla":"Friedrich, Michael, et al. “Phonon Dispersion and Zero-Point Renormalization of LiNbO3 from Density-Functional Perturbation Theory.” <i>Journal of Physics: Condensed Matter</i>, vol. 27, no. 38, 385402, IOP Publishing, 2015, doi:<a href=\"https://doi.org/10.1088/0953-8984/27/38/385402\">10.1088/0953-8984/27/38/385402</a>.","apa":"Friedrich, M., Riefer, A., Sanna, S., Schmidt, W. G., &#38; Schindlmayr, A. (2015). Phonon dispersion and zero-point renormalization of LiNbO3 from density-functional perturbation theory. <i>Journal of Physics: Condensed Matter</i>, <i>27</i>(38), Article 385402. <a href=\"https://doi.org/10.1088/0953-8984/27/38/385402\">https://doi.org/10.1088/0953-8984/27/38/385402</a>","ieee":"M. Friedrich, A. Riefer, S. Sanna, W. G. Schmidt, and A. Schindlmayr, “Phonon dispersion and zero-point renormalization of LiNbO3 from density-functional perturbation theory,” <i>Journal of Physics: Condensed Matter</i>, vol. 27, no. 38, Art. no. 385402, 2015, doi: <a href=\"https://doi.org/10.1088/0953-8984/27/38/385402\">10.1088/0953-8984/27/38/385402</a>.","chicago":"Friedrich, Michael, Arthur Riefer, Simone Sanna, Wolf Gero Schmidt, and Arno Schindlmayr. “Phonon Dispersion and Zero-Point Renormalization of LiNbO3 from Density-Functional Perturbation Theory.” <i>Journal of Physics: Condensed Matter</i> 27, no. 38 (2015). <a href=\"https://doi.org/10.1088/0953-8984/27/38/385402\">https://doi.org/10.1088/0953-8984/27/38/385402</a>.","ama":"Friedrich M, Riefer A, Sanna S, Schmidt WG, Schindlmayr A. Phonon dispersion and zero-point renormalization of LiNbO3 from density-functional perturbation theory. <i>Journal of Physics: Condensed Matter</i>. 2015;27(38). doi:<a href=\"https://doi.org/10.1088/0953-8984/27/38/385402\">10.1088/0953-8984/27/38/385402</a>"},"intvolume":"        27","publication_status":"published","has_accepted_license":"1","publication_identifier":{"eissn":["1361-648X"],"issn":["0953-8984"]},"pmid":"1","file_date_updated":"2020-08-30T14:46:56Z","article_number":"385402","isi":"1","article_type":"original","user_id":"16199","department":[{"_id":"295"},{"_id":"296"},{"_id":"230"},{"_id":"429"},{"_id":"15"},{"_id":"35"},{"_id":"27"}],"project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"},{"name":"TRR 142","_id":"53"},{"name":"TRR 142 - Project Area B","_id":"55"},{"name":"TRR 142 - Subproject B4","_id":"69"},{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"_id":"10030","status":"public","type":"journal_article","title":"Phonon dispersion and zero-point renormalization of LiNbO3 from density-functional perturbation theory","date_created":"2019-05-29T08:41:18Z","publisher":"IOP Publishing","year":"2015","issue":"38","quality_controlled":"1","language":[{"iso":"eng"}],"ddc":["530"],"external_id":{"isi":["000362549700004"],"pmid":["26337951"]},"file":[{"file_size":1793430,"file_name":"Friedrich_2015_J._Phys. _Condens._Matter_27_385402.pdf","creator":"schindlm","content_type":"application/pdf","title":"Phonon dispersion and zero-point renormalization of LiNbO3 from density-functional perturbation theory","description":"© 2015 IOP Publishing Ltd","access_level":"closed","file_id":"18578","date_updated":"2020-08-30T14:46:56Z","date_created":"2020-08-28T14:24:23Z","relation":"main_file"}],"abstract":[{"text":"The vibrational properties of stoichiometric LiNbO3 are analyzed within density-functional perturbation theory in order to obtain the complete phonon dispersion of the material. The phonon density of states of the ferroelectric (paraelectric) phase shows two (one) distinct band gaps separating the high-frequency (~800 cm−1) optical branches from the continuum of acoustic and lower optical phonon states. This result leads to specific heat capacites in close agreement with experimental measurements in the range 0–350 K and a Debye temperature of 574 K. The calculated zero-point renormalization of the electronic Kohn–Sham eigenvalues reveals a strong dependence on the phonon wave vectors, especially near Γ. Integrated over all phonon modes, our results indicate a vibrational correction of the electronic band gap of 0.41 eV at 0 K, which is in excellent agreement with the extrapolated temperature-dependent measurements.","lang":"eng"}],"publication":"Journal of Physics: Condensed Matter"},{"citation":{"ama":"Sanna S, Dues C, Schmidt WG. Modeling atomic force microscopy at LiNbO 3 surfaces from first-principles. <i>Computational Materials Science</i>. 2015;103:145-150. doi:<a href=\"https://doi.org/10.1016/j.commatsci.2015.03.025\">10.1016/j.commatsci.2015.03.025</a>","ieee":"S. Sanna, C. Dues, and W. G. Schmidt, “Modeling atomic force microscopy at LiNbO 3 surfaces from first-principles,” <i>Computational Materials Science</i>, vol. 103, pp. 145–150, 2015, doi: <a href=\"https://doi.org/10.1016/j.commatsci.2015.03.025\">10.1016/j.commatsci.2015.03.025</a>.","chicago":"Sanna, S., C. Dues, and Wolf Gero Schmidt. “Modeling Atomic Force Microscopy at LiNbO 3 Surfaces from First-Principles.” <i>Computational Materials Science</i> 103 (2015): 145–50. <a href=\"https://doi.org/10.1016/j.commatsci.2015.03.025\">https://doi.org/10.1016/j.commatsci.2015.03.025</a>.","apa":"Sanna, S., Dues, C., &#38; Schmidt, W. G. (2015). Modeling atomic force microscopy at LiNbO 3 surfaces from first-principles. <i>Computational Materials Science</i>, <i>103</i>, 145–150. <a href=\"https://doi.org/10.1016/j.commatsci.2015.03.025\">https://doi.org/10.1016/j.commatsci.2015.03.025</a>","short":"S. Sanna, C. Dues, W.G. Schmidt, Computational Materials Science 103 (2015) 145–150.","bibtex":"@article{Sanna_Dues_Schmidt_2015, title={Modeling atomic force microscopy at LiNbO 3 surfaces from first-principles}, volume={103}, DOI={<a href=\"https://doi.org/10.1016/j.commatsci.2015.03.025\">10.1016/j.commatsci.2015.03.025</a>}, journal={Computational Materials Science}, author={Sanna, S. and Dues, C. and Schmidt, Wolf Gero}, year={2015}, pages={145–150} }","mla":"Sanna, S., et al. “Modeling Atomic Force Microscopy at LiNbO 3 Surfaces from First-Principles.” <i>Computational Materials Science</i>, vol. 103, 2015, pp. 145–50, doi:<a href=\"https://doi.org/10.1016/j.commatsci.2015.03.025\">10.1016/j.commatsci.2015.03.025</a>."},"intvolume":"       103","page":"145-150","year":"2015","publication_status":"published","publication_identifier":{"issn":["0927-0256"]},"doi":"10.1016/j.commatsci.2015.03.025","title":"Modeling atomic force microscopy at LiNbO 3 surfaces from first-principles","author":[{"full_name":"Sanna, S.","last_name":"Sanna","first_name":"S."},{"full_name":"Dues, C.","last_name":"Dues","first_name":"C."},{"first_name":"Wolf Gero","last_name":"Schmidt","orcid":"0000-0002-2717-5076","full_name":"Schmidt, Wolf Gero","id":"468"}],"date_created":"2019-09-30T13:06:04Z","volume":103,"date_updated":"2025-12-05T10:37:16Z","status":"public","type":"journal_article","publication":"Computational Materials Science","language":[{"iso":"eng"}],"user_id":"16199","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"429"},{"_id":"27"}],"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"},{"name":"TRR 142 - Subproject B3","_id":"68"},{"name":"TRR 142 - Subproject B4","_id":"69"},{"_id":"53","name":"TRR 142: Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen"}],"_id":"13504"},{"title":"Polaronic deformation at theFe2+/3+impurity site inFe:LiNbO3crystals","doi":"10.1103/physrevb.91.094109","date_updated":"2025-12-05T10:36:22Z","volume":91,"date_created":"2019-09-30T13:19:05Z","author":[{"first_name":"A.","full_name":"Sanson, A.","last_name":"Sanson"},{"first_name":"A.","full_name":"Zaltron, A.","last_name":"Zaltron"},{"first_name":"N.","last_name":"Argiolas","full_name":"Argiolas, N."},{"full_name":"Sada, C.","last_name":"Sada","first_name":"C."},{"last_name":"Bazzan","full_name":"Bazzan, M.","first_name":"M."},{"first_name":"Wolf Gero","orcid":"0000-0002-2717-5076","last_name":"Schmidt","full_name":"Schmidt, Wolf Gero","id":"468"},{"full_name":"Sanna, S.","last_name":"Sanna","first_name":"S."}],"year":"2015","intvolume":"        91","citation":{"short":"A. Sanson, A. Zaltron, N. Argiolas, C. Sada, M. Bazzan, W.G. Schmidt, S. Sanna, Physical Review B 91 (2015).","mla":"Sanson, A., et al. “Polaronic Deformation at TheFe2+/3+impurity Site InFe:LiNbO3crystals.” <i>Physical Review B</i>, vol. 91, 2015, doi:<a href=\"https://doi.org/10.1103/physrevb.91.094109\">10.1103/physrevb.91.094109</a>.","bibtex":"@article{Sanson_Zaltron_Argiolas_Sada_Bazzan_Schmidt_Sanna_2015, title={Polaronic deformation at theFe2+/3+impurity site inFe:LiNbO3crystals}, volume={91}, DOI={<a href=\"https://doi.org/10.1103/physrevb.91.094109\">10.1103/physrevb.91.094109</a>}, journal={Physical Review B}, author={Sanson, A. and Zaltron, A. and Argiolas, N. and Sada, C. and Bazzan, M. and Schmidt, Wolf Gero and Sanna, S.}, year={2015} }","apa":"Sanson, A., Zaltron, A., Argiolas, N., Sada, C., Bazzan, M., Schmidt, W. G., &#38; Sanna, S. (2015). Polaronic deformation at theFe2+/3+impurity site inFe:LiNbO3crystals. <i>Physical Review B</i>, <i>91</i>. <a href=\"https://doi.org/10.1103/physrevb.91.094109\">https://doi.org/10.1103/physrevb.91.094109</a>","ieee":"A. Sanson <i>et al.</i>, “Polaronic deformation at theFe2+/3+impurity site inFe:LiNbO3crystals,” <i>Physical Review B</i>, vol. 91, 2015, doi: <a href=\"https://doi.org/10.1103/physrevb.91.094109\">10.1103/physrevb.91.094109</a>.","chicago":"Sanson, A., A. Zaltron, N. Argiolas, C. Sada, M. Bazzan, Wolf Gero Schmidt, and S. Sanna. “Polaronic Deformation at TheFe2+/3+impurity Site InFe:LiNbO3crystals.” <i>Physical Review B</i> 91 (2015). <a href=\"https://doi.org/10.1103/physrevb.91.094109\">https://doi.org/10.1103/physrevb.91.094109</a>.","ama":"Sanson A, Zaltron A, Argiolas N, et al. Polaronic deformation at theFe2+/3+impurity site inFe:LiNbO3crystals. <i>Physical Review B</i>. 2015;91. doi:<a href=\"https://doi.org/10.1103/physrevb.91.094109\">10.1103/physrevb.91.094109</a>"},"publication_identifier":{"issn":["1098-0121","1550-235X"]},"publication_status":"published","language":[{"iso":"eng"}],"_id":"13506","project":[{"_id":"53","name":"TRR 142"},{"_id":"55","name":"TRR 142 - Project Area B"},{"name":"TRR 142 - Subproject B3","_id":"68"},{"name":"TRR 142 - Subproject B4","_id":"69"},{"name":"TRR 142: Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen","_id":"53"}],"department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"429"}],"user_id":"16199","status":"public","publication":"Physical Review B","type":"journal_article"},{"language":[{"iso":"eng"}],"user_id":"16199","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"429"},{"_id":"27"}],"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"},{"_id":"66","name":"TRR 142 - Subproject B1"},{"_id":"69","name":"TRR 142 - Subproject B4"}],"_id":"13507","status":"public","type":"journal_article","publication":"Physical Review B","doi":"10.1103/physrevb.91.035302","title":"GaNm-plane: Atomic structure, surface bands, and optical response","author":[{"first_name":"M.","last_name":"Landmann","full_name":"Landmann, M."},{"full_name":"Rauls, E.","last_name":"Rauls","first_name":"E."},{"first_name":"Wolf Gero","orcid":"0000-0002-2717-5076","last_name":"Schmidt","full_name":"Schmidt, Wolf Gero","id":"468"},{"first_name":"M. D.","last_name":"Neumann","full_name":"Neumann, M. D."},{"last_name":"Speiser","full_name":"Speiser, E.","first_name":"E."},{"full_name":"Esser, N.","last_name":"Esser","first_name":"N."}],"date_created":"2019-09-30T13:24:00Z","volume":91,"date_updated":"2025-12-05T10:35:47Z","citation":{"apa":"Landmann, M., Rauls, E., Schmidt, W. G., Neumann, M. D., Speiser, E., &#38; Esser, N. (2015). GaNm-plane: Atomic structure, surface bands, and optical response. <i>Physical Review B</i>, <i>91</i>. <a href=\"https://doi.org/10.1103/physrevb.91.035302\">https://doi.org/10.1103/physrevb.91.035302</a>","short":"M. Landmann, E. Rauls, W.G. Schmidt, M.D. Neumann, E. Speiser, N. Esser, Physical Review B 91 (2015).","bibtex":"@article{Landmann_Rauls_Schmidt_Neumann_Speiser_Esser_2015, title={GaNm-plane: Atomic structure, surface bands, and optical response}, volume={91}, DOI={<a href=\"https://doi.org/10.1103/physrevb.91.035302\">10.1103/physrevb.91.035302</a>}, journal={Physical Review B}, author={Landmann, M. and Rauls, E. and Schmidt, Wolf Gero and Neumann, M. D. and Speiser, E. and Esser, N.}, year={2015} }","mla":"Landmann, M., et al. “GaNm-Plane: Atomic Structure, Surface Bands, and Optical Response.” <i>Physical Review B</i>, vol. 91, 2015, doi:<a href=\"https://doi.org/10.1103/physrevb.91.035302\">10.1103/physrevb.91.035302</a>.","ama":"Landmann M, Rauls E, Schmidt WG, Neumann MD, Speiser E, Esser N. GaNm-plane: Atomic structure, surface bands, and optical response. <i>Physical Review B</i>. 2015;91. doi:<a href=\"https://doi.org/10.1103/physrevb.91.035302\">10.1103/physrevb.91.035302</a>","chicago":"Landmann, M., E. Rauls, Wolf Gero Schmidt, M. D. Neumann, E. Speiser, and N. Esser. “GaNm-Plane: Atomic Structure, Surface Bands, and Optical Response.” <i>Physical Review B</i> 91 (2015). <a href=\"https://doi.org/10.1103/physrevb.91.035302\">https://doi.org/10.1103/physrevb.91.035302</a>.","ieee":"M. Landmann, E. Rauls, W. G. Schmidt, M. D. Neumann, E. Speiser, and N. Esser, “GaNm-plane: Atomic structure, surface bands, and optical response,” <i>Physical Review B</i>, vol. 91, 2015, doi: <a href=\"https://doi.org/10.1103/physrevb.91.035302\">10.1103/physrevb.91.035302</a>."},"intvolume":"        91","year":"2015","publication_status":"published","publication_identifier":{"issn":["1098-0121","1550-235X"]}},{"type":"journal_article","status":"public","project":[{"name":"TRR 142","_id":"53"},{"_id":"54","name":"TRR 142 - Project Area A"},{"_id":"60","name":"TRR 142 - Subproject A3"},{"_id":"53","name":"TRR 142: Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen"}],"_id":"4330","user_id":"16199","department":[{"_id":"15"},{"_id":"230"},{"_id":"35"},{"_id":"170"},{"_id":"429"}],"article_type":"original","publication_status":"published","publication_identifier":{"issn":["2041-1723"]},"citation":{"short":"D. Heinze, D. Breddermann, A. Zrenner, S. Schumacher, Nature Communications 6 (2015).","bibtex":"@article{Heinze_Breddermann_Zrenner_Schumacher_2015, title={A quantum dot single-photon source with on-the-fly all-optical polarization control and timed emission}, volume={6}, DOI={<a href=\"https://doi.org/10.1038/ncomms9473\">10.1038/ncomms9473</a>}, number={1}, journal={Nature Communications}, publisher={Springer Nature}, author={Heinze, Dirk and Breddermann, Dominik and Zrenner, Artur and Schumacher, Stefan}, year={2015} }","mla":"Heinze, Dirk, et al. “A Quantum Dot Single-Photon Source with on-the-Fly All-Optical Polarization Control and Timed Emission.” <i>Nature Communications</i>, vol. 6, no. 1, Springer Nature, 2015, doi:<a href=\"https://doi.org/10.1038/ncomms9473\">10.1038/ncomms9473</a>.","apa":"Heinze, D., Breddermann, D., Zrenner, A., &#38; Schumacher, S. (2015). A quantum dot single-photon source with on-the-fly all-optical polarization control and timed emission. <i>Nature Communications</i>, <i>6</i>(1). <a href=\"https://doi.org/10.1038/ncomms9473\">https://doi.org/10.1038/ncomms9473</a>","ieee":"D. Heinze, D. Breddermann, A. Zrenner, and S. Schumacher, “A quantum dot single-photon source with on-the-fly all-optical polarization control and timed emission,” <i>Nature Communications</i>, vol. 6, no. 1, 2015, doi: <a href=\"https://doi.org/10.1038/ncomms9473\">10.1038/ncomms9473</a>.","chicago":"Heinze, Dirk, Dominik Breddermann, Artur Zrenner, and Stefan Schumacher. “A Quantum Dot Single-Photon Source with on-the-Fly All-Optical Polarization Control and Timed Emission.” <i>Nature Communications</i> 6, no. 1 (2015). <a href=\"https://doi.org/10.1038/ncomms9473\">https://doi.org/10.1038/ncomms9473</a>.","ama":"Heinze D, Breddermann D, Zrenner A, Schumacher S. A quantum dot single-photon source with on-the-fly all-optical polarization control and timed emission. <i>Nature Communications</i>. 2015;6(1). doi:<a href=\"https://doi.org/10.1038/ncomms9473\">10.1038/ncomms9473</a>"},"intvolume":"         6","date_updated":"2025-12-05T14:45:38Z","author":[{"first_name":"Dirk","last_name":"Heinze","full_name":"Heinze, Dirk"},{"last_name":"Breddermann","full_name":"Breddermann, Dominik","first_name":"Dominik"},{"first_name":"Artur","id":"606","full_name":"Zrenner, Artur","orcid":"0000-0002-5190-0944","last_name":"Zrenner"},{"first_name":"Stefan","orcid":"0000-0003-4042-4951","last_name":"Schumacher","id":"27271","full_name":"Schumacher, Stefan"}],"volume":6,"doi":"10.1038/ncomms9473","publication":"Nature Communications","abstract":[{"text":"Sources of single photons are key elements for applications in quantum information science.\r\nAmong the different sources available, semiconductor quantum dots excel with their\r\nintegrability in semiconductor on-chip solutions and the potential that photon emission can\r\nbe triggered on demand. Usually, the photon is emitted from a single-exciton ground state.\r\nPolarization of the photon and time of emission are either probabilistic or pre-determined by\r\nelectronic properties of the system. Here, we study the direct two-photon emission from the\r\nbiexciton. The two-photon emission is enabled by a laser pulse driving the system into a\r\nvirtual state inside the band gap. From this intermediate state, the single photon of interest\r\nis then spontaneously emitted. We show that emission through this higher-order\r\ntransition provides a versatile approach to generate a single photon. Through the driving\r\nlaser pulse, polarization state, frequency and emission time of the photon can be controlled\r\non-the-fly.","lang":"eng"}],"language":[{"iso":"eng"}],"issue":"1","year":"2015","publisher":"Springer Nature","date_created":"2018-08-30T13:07:30Z","title":"A quantum dot single-photon source with on-the-fly all-optical polarization control and timed emission"},{"doi":"10.1103/physrevb.90.235312","title":"Polarization properties of single zinc-blende GaN/AlN quantum dots","date_created":"2019-03-29T13:43:44Z","author":[{"first_name":"S.","full_name":"Sergent, S.","last_name":"Sergent"},{"first_name":"S.","last_name":"Kako","full_name":"Kako, S."},{"full_name":"Bürger, M.","last_name":"Bürger","first_name":"M."},{"first_name":"T.","last_name":"Schupp","full_name":"Schupp, T."},{"first_name":"Donat Josef","last_name":"As","orcid":"0000-0003-1121-3565","full_name":"As, Donat Josef","id":"14"},{"full_name":"Arakawa, Y.","last_name":"Arakawa","first_name":"Y."}],"date_updated":"2022-01-06T07:04:00Z","citation":{"short":"S. Sergent, S. Kako, M. Bürger, T. Schupp, D.J. As, Y. Arakawa, Physical Review B (2014).","bibtex":"@article{Sergent_Kako_Bürger_Schupp_As_Arakawa_2014, title={Polarization properties of single zinc-blende GaN/AlN quantum dots}, DOI={<a href=\"https://doi.org/10.1103/physrevb.90.235312\">10.1103/physrevb.90.235312</a>}, journal={Physical Review B}, author={Sergent, S. and Kako, S. and Bürger, M. and Schupp, T. and As, Donat Josef and Arakawa, Y.}, year={2014} }","mla":"Sergent, S., et al. “Polarization Properties of Single Zinc-Blende GaN/AlN Quantum Dots.” <i>Physical Review B</i>, 2014, doi:<a href=\"https://doi.org/10.1103/physrevb.90.235312\">10.1103/physrevb.90.235312</a>.","apa":"Sergent, S., Kako, S., Bürger, M., Schupp, T., As, D. J., &#38; Arakawa, Y. (2014). Polarization properties of single zinc-blende GaN/AlN quantum dots. <i>Physical Review B</i>. <a href=\"https://doi.org/10.1103/physrevb.90.235312\">https://doi.org/10.1103/physrevb.90.235312</a>","chicago":"Sergent, S., S. Kako, M. Bürger, T. Schupp, Donat Josef As, and Y. Arakawa. “Polarization Properties of Single Zinc-Blende GaN/AlN Quantum Dots.” <i>Physical Review B</i>, 2014. <a href=\"https://doi.org/10.1103/physrevb.90.235312\">https://doi.org/10.1103/physrevb.90.235312</a>.","ieee":"S. Sergent, S. Kako, M. Bürger, T. Schupp, D. J. As, and Y. Arakawa, “Polarization properties of single zinc-blende GaN/AlN quantum dots,” <i>Physical Review B</i>, 2014.","ama":"Sergent S, Kako S, Bürger M, Schupp T, As DJ, Arakawa Y. Polarization properties of single zinc-blende GaN/AlN quantum dots. <i>Physical Review B</i>. 2014. doi:<a href=\"https://doi.org/10.1103/physrevb.90.235312\">10.1103/physrevb.90.235312</a>"},"year":"2014","publication_status":"published","publication_identifier":{"issn":["1098-0121","1550-235X"]},"language":[{"iso":"eng"}],"user_id":"14","department":[{"_id":"230"},{"_id":"429"}],"_id":"8762","status":"public","type":"journal_article","publication":"Physical Review B"},{"citation":{"mla":"Li, Yanlu, et al. “Modeling Intrinsic Defects in LiNbO3 within the Slater-Janak Transition State Model.” <i>The Journal of Chemical Physics</i>, 234113, 2014, doi:<a href=\"https://doi.org/10.1063/1.4883737\">10.1063/1.4883737</a>.","bibtex":"@article{Li_Sanna_Schmidt_2014, title={Modeling intrinsic defects in LiNbO3 within the Slater-Janak transition state model}, DOI={<a href=\"https://doi.org/10.1063/1.4883737\">10.1063/1.4883737</a>}, number={234113}, journal={The Journal of Chemical Physics}, author={Li, Yanlu and Sanna, Simone and Schmidt, Wolf Gero}, year={2014} }","short":"Y. Li, S. Sanna, W.G. Schmidt, The Journal of Chemical Physics (2014).","apa":"Li, Y., Sanna, S., &#38; Schmidt, W. G. (2014). Modeling intrinsic defects in LiNbO3 within the Slater-Janak transition state model. <i>The Journal of Chemical Physics</i>. <a href=\"https://doi.org/10.1063/1.4883737\">https://doi.org/10.1063/1.4883737</a>","ama":"Li Y, Sanna S, Schmidt WG. Modeling intrinsic defects in LiNbO3 within the Slater-Janak transition state model. <i>The Journal of Chemical Physics</i>. 2014. doi:<a href=\"https://doi.org/10.1063/1.4883737\">10.1063/1.4883737</a>","ieee":"Y. Li, S. Sanna, and W. G. Schmidt, “Modeling intrinsic defects in LiNbO3 within the Slater-Janak transition state model,” <i>The Journal of Chemical Physics</i>, 2014.","chicago":"Li, Yanlu, Simone Sanna, and Wolf Gero Schmidt. “Modeling Intrinsic Defects in LiNbO3 within the Slater-Janak Transition State Model.” <i>The Journal of Chemical Physics</i>, 2014. <a href=\"https://doi.org/10.1063/1.4883737\">https://doi.org/10.1063/1.4883737</a>."},"year":"2014","publication_status":"published","publication_identifier":{"issn":["0021-9606","1089-7690"]},"doi":"10.1063/1.4883737","title":"Modeling intrinsic defects in LiNbO3 within the Slater-Janak transition state model","author":[{"full_name":"Li, Yanlu","last_name":"Li","first_name":"Yanlu"},{"first_name":"Simone","last_name":"Sanna","full_name":"Sanna, Simone"},{"first_name":"Wolf Gero","id":"468","full_name":"Schmidt, Wolf Gero","orcid":"0000-0002-2717-5076","last_name":"Schmidt"}],"date_created":"2019-05-29T08:55:30Z","date_updated":"2022-01-06T06:50:27Z","status":"public","type":"journal_article","publication":"The Journal of Chemical Physics","language":[{"iso":"eng"}],"article_number":"234113","user_id":"16199","department":[{"_id":"15"}],"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"},{"name":"TRR 142 - Subproject B4","_id":"69"}],"_id":"10035"},{"date_updated":"2025-12-05T09:57:24Z","date_created":"2019-05-29T08:56:42Z","author":[{"last_name":"Hölscher","full_name":"Hölscher, Rebecca","first_name":"Rebecca"},{"last_name":"Schmidt","orcid":"0000-0002-2717-5076","id":"468","full_name":"Schmidt, Wolf Gero","first_name":"Wolf Gero"},{"full_name":"Sanna, Simone","last_name":"Sanna","first_name":"Simone"}],"title":"Modeling LiNbO3 Surfaces at Ambient Conditions","doi":"10.1021/jp502936f","publication_identifier":{"issn":["1932-7447","1932-7455"]},"publication_status":"published","year":"2014","page":"10213-10220","citation":{"ieee":"R. Hölscher, W. G. Schmidt, and S. Sanna, “Modeling LiNbO3 Surfaces at Ambient Conditions,” <i>The Journal of Physical Chemistry C</i>, pp. 10213–10220, 2014, doi: <a href=\"https://doi.org/10.1021/jp502936f\">10.1021/jp502936f</a>.","chicago":"Hölscher, Rebecca, Wolf Gero Schmidt, and Simone Sanna. “Modeling LiNbO3 Surfaces at Ambient Conditions.” <i>The Journal of Physical Chemistry C</i>, 2014, 10213–20. <a href=\"https://doi.org/10.1021/jp502936f\">https://doi.org/10.1021/jp502936f</a>.","ama":"Hölscher R, Schmidt WG, Sanna S. Modeling LiNbO3 Surfaces at Ambient Conditions. <i>The Journal of Physical Chemistry C</i>. Published online 2014:10213-10220. doi:<a href=\"https://doi.org/10.1021/jp502936f\">10.1021/jp502936f</a>","bibtex":"@article{Hölscher_Schmidt_Sanna_2014, title={Modeling LiNbO3 Surfaces at Ambient Conditions}, DOI={<a href=\"https://doi.org/10.1021/jp502936f\">10.1021/jp502936f</a>}, journal={The Journal of Physical Chemistry C}, author={Hölscher, Rebecca and Schmidt, Wolf Gero and Sanna, Simone}, year={2014}, pages={10213–10220} }","short":"R. Hölscher, W.G. Schmidt, S. Sanna, The Journal of Physical Chemistry C (2014) 10213–10220.","mla":"Hölscher, Rebecca, et al. “Modeling LiNbO3 Surfaces at Ambient Conditions.” <i>The Journal of Physical Chemistry C</i>, 2014, pp. 10213–20, doi:<a href=\"https://doi.org/10.1021/jp502936f\">10.1021/jp502936f</a>.","apa":"Hölscher, R., Schmidt, W. G., &#38; Sanna, S. (2014). Modeling LiNbO3 Surfaces at Ambient Conditions. <i>The Journal of Physical Chemistry C</i>, 10213–10220. <a href=\"https://doi.org/10.1021/jp502936f\">https://doi.org/10.1021/jp502936f</a>"},"_id":"10036","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"},{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"429"},{"_id":"27"}],"user_id":"16199","funded_apc":"1","language":[{"iso":"eng"}],"publication":"The Journal of Physical Chemistry C","type":"journal_article","status":"public"},{"volume":89,"author":[{"last_name":"Li","full_name":"Li, Yanlu","first_name":"Yanlu"},{"first_name":"Wolf Gero","last_name":"Schmidt","orcid":"0000-0002-2717-5076","id":"468","full_name":"Schmidt, Wolf Gero"},{"last_name":"Sanna","full_name":"Sanna, S.","first_name":"S."}],"date_created":"2019-09-30T13:38:01Z","date_updated":"2025-12-05T10:32:36Z","doi":"10.1103/physrevb.89.094111","title":"IntrinsicLiNbO3point defects from hybrid density functional calculations","issue":"9","publication_identifier":{"issn":["1098-0121","1550-235X"]},"publication_status":"published","intvolume":"        89","citation":{"apa":"Li, Y., Schmidt, W. G., &#38; Sanna, S. (2014). IntrinsicLiNbO3point defects from hybrid density functional calculations. <i>Physical Review B</i>, <i>89</i>(9). <a href=\"https://doi.org/10.1103/physrevb.89.094111\">https://doi.org/10.1103/physrevb.89.094111</a>","mla":"Li, Yanlu, et al. “IntrinsicLiNbO3point Defects from Hybrid Density Functional Calculations.” <i>Physical Review B</i>, vol. 89, no. 9, 2014, doi:<a href=\"https://doi.org/10.1103/physrevb.89.094111\">10.1103/physrevb.89.094111</a>.","short":"Y. Li, W.G. Schmidt, S. Sanna, Physical Review B 89 (2014).","bibtex":"@article{Li_Schmidt_Sanna_2014, title={IntrinsicLiNbO3point defects from hybrid density functional calculations}, volume={89}, DOI={<a href=\"https://doi.org/10.1103/physrevb.89.094111\">10.1103/physrevb.89.094111</a>}, number={9}, journal={Physical Review B}, author={Li, Yanlu and Schmidt, Wolf Gero and Sanna, S.}, year={2014} }","ama":"Li Y, Schmidt WG, Sanna S. IntrinsicLiNbO3point defects from hybrid density functional calculations. <i>Physical Review B</i>. 2014;89(9). doi:<a href=\"https://doi.org/10.1103/physrevb.89.094111\">10.1103/physrevb.89.094111</a>","chicago":"Li, Yanlu, Wolf Gero Schmidt, and S. Sanna. “IntrinsicLiNbO3point Defects from Hybrid Density Functional Calculations.” <i>Physical Review B</i> 89, no. 9 (2014). <a href=\"https://doi.org/10.1103/physrevb.89.094111\">https://doi.org/10.1103/physrevb.89.094111</a>.","ieee":"Y. Li, W. G. Schmidt, and S. Sanna, “IntrinsicLiNbO3point defects from hybrid density functional calculations,” <i>Physical Review B</i>, vol. 89, no. 9, 2014, doi: <a href=\"https://doi.org/10.1103/physrevb.89.094111\">10.1103/physrevb.89.094111</a>."},"year":"2014","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"429"}],"user_id":"16199","_id":"13514","project":[{"_id":"53","name":"TRR 142"},{"name":"TRR 142 - Project Area B","_id":"55"},{"name":"TRR 142 - Subproject B1","_id":"66"},{"_id":"69","name":"TRR 142 - Subproject B4"},{"_id":"53","name":"TRR 142: Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen"}],"language":[{"iso":"eng"}],"publication":"Physical Review B","type":"journal_article","status":"public"},{"date_created":"2019-09-30T13:40:10Z","author":[{"first_name":"S.","full_name":"Sanna, S.","last_name":"Sanna"},{"first_name":"R.","full_name":"Hölscher, R.","last_name":"Hölscher"},{"first_name":"Wolf Gero","orcid":"0000-0002-2717-5076","last_name":"Schmidt","full_name":"Schmidt, Wolf Gero","id":"468"}],"date_updated":"2025-12-05T10:31:53Z","doi":"10.1016/j.apsusc.2014.01.104","title":"Temperature dependent LiNbO3(0001): Surface reconstruction and surface charge","publication_status":"published","publication_identifier":{"issn":["0169-4332"]},"citation":{"short":"S. Sanna, R. Hölscher, W.G. Schmidt, Applied Surface Science (2014) 70–78.","mla":"Sanna, S., et al. “Temperature Dependent LiNbO3(0001): Surface Reconstruction and Surface Charge.” <i>Applied Surface Science</i>, 2014, pp. 70–78, doi:<a href=\"https://doi.org/10.1016/j.apsusc.2014.01.104\">10.1016/j.apsusc.2014.01.104</a>.","bibtex":"@article{Sanna_Hölscher_Schmidt_2014, title={Temperature dependent LiNbO3(0001): Surface reconstruction and surface charge}, DOI={<a href=\"https://doi.org/10.1016/j.apsusc.2014.01.104\">10.1016/j.apsusc.2014.01.104</a>}, journal={Applied Surface Science}, author={Sanna, S. and Hölscher, R. and Schmidt, Wolf Gero}, year={2014}, pages={70–78} }","apa":"Sanna, S., Hölscher, R., &#38; Schmidt, W. G. (2014). Temperature dependent LiNbO3(0001): Surface reconstruction and surface charge. <i>Applied Surface Science</i>, 70–78. <a href=\"https://doi.org/10.1016/j.apsusc.2014.01.104\">https://doi.org/10.1016/j.apsusc.2014.01.104</a>","ama":"Sanna S, Hölscher R, Schmidt WG. Temperature dependent LiNbO3(0001): Surface reconstruction and surface charge. <i>Applied Surface Science</i>. Published online 2014:70-78. doi:<a href=\"https://doi.org/10.1016/j.apsusc.2014.01.104\">10.1016/j.apsusc.2014.01.104</a>","ieee":"S. Sanna, R. Hölscher, and W. G. Schmidt, “Temperature dependent LiNbO3(0001): Surface reconstruction and surface charge,” <i>Applied Surface Science</i>, pp. 70–78, 2014, doi: <a href=\"https://doi.org/10.1016/j.apsusc.2014.01.104\">10.1016/j.apsusc.2014.01.104</a>.","chicago":"Sanna, S., R. Hölscher, and Wolf Gero Schmidt. “Temperature Dependent LiNbO3(0001): Surface Reconstruction and Surface Charge.” <i>Applied Surface Science</i>, 2014, 70–78. <a href=\"https://doi.org/10.1016/j.apsusc.2014.01.104\">https://doi.org/10.1016/j.apsusc.2014.01.104</a>."},"page":"70-78","year":"2014","user_id":"16199","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"429"},{"_id":"27"}],"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":"68","name":"TRR 142 - Subproject B3"},{"name":"TRR 142 - Subproject B4","_id":"69"}],"_id":"13515","language":[{"iso":"eng"}],"type":"journal_article","publication":"Applied Surface Science","status":"public"}]