We report a combined experiment-theory study on low energy vibrational modes in fluorescence spectra of perylene-3,4,9,10-tetracarboxylic acid dianhydride (PTCDA) molecules.
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Schmidt, “Liquid Crystal (8CB) Molecular Adsorption on Lithium Niobate Z-Cut Surfaces,” The Journal of Physical Chemistry C, pp. 9342–9346, 2015.","chicago":"Braun, Christian, Simone Sanna, and Wolf Gero Schmidt. “Liquid Crystal (8CB) Molecular Adsorption on Lithium Niobate Z-Cut Surfaces.” The Journal of Physical Chemistry C, 2015, 9342–46. https://doi.org/10.1021/acs.jpcc.5b00894.","apa":"Braun, C., Sanna, S., & Schmidt, W. G. (2015). Liquid Crystal (8CB) Molecular Adsorption on Lithium Niobate Z-Cut Surfaces. The Journal of Physical Chemistry C, 9342–9346. https://doi.org/10.1021/acs.jpcc.5b00894","mla":"Braun, Christian, et al. “Liquid Crystal (8CB) Molecular Adsorption on Lithium Niobate Z-Cut Surfaces.” The Journal of Physical Chemistry C, 2015, pp. 9342–46, doi:10.1021/acs.jpcc.5b00894.","bibtex":"@article{Braun_Sanna_Schmidt_2015, title={Liquid Crystal (8CB) Molecular Adsorption on Lithium Niobate Z-Cut Surfaces}, DOI={10.1021/acs.jpcc.5b00894}, journal={The Journal of Physical Chemistry C}, author={Braun, Christian and Sanna, Simone and Schmidt, Wolf Gero}, year={2015}, pages={9342–9346} }","short":"C. Braun, S. Sanna, W.G. Schmidt, The Journal of Physical Chemistry C (2015) 9342–9346."},"date_updated":"2022-01-06T06:50:26Z","author":[{"orcid":"0000-0002-3224-2683","last_name":"Braun","id":"28675","full_name":"Braun, Christian","first_name":"Christian"},{"first_name":"Simone","full_name":"Sanna, Simone","last_name":"Sanna"},{"full_name":"Schmidt, Wolf Gero","id":"468","last_name":"Schmidt","orcid":"0000-0002-2717-5076","first_name":"Wolf Gero"}],"date_created":"2019-05-29T08:37:53Z","title":"Liquid Crystal (8CB) Molecular Adsorption on Lithium Niobate Z-Cut Surfaces","doi":"10.1021/acs.jpcc.5b00894","publication":"The Journal of Physical Chemistry C","type":"journal_article","status":"public","_id":"10029","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"}],"department":[{"_id":"15"}],"user_id":"16199","funded_apc":"1","language":[{"iso":"eng"}]},{"type":"journal_article","publication":"Physical Review B","status":"public","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":"10031","user_id":"16199","department":[{"_id":"15"}],"language":[{"iso":"eng"}],"publication_status":"published","publication_identifier":{"issn":["1098-0121","1550-235X"]},"year":"2015","citation":{"ama":"Li Y, Schmidt WG, Sanna S. Defect complexes in congruentLiNbO3and their optical signatures. Physical Review B. 2015. doi:10.1103/physrevb.91.174106","ieee":"Y. Li, W. G. Schmidt, and S. Sanna, “Defect complexes in congruentLiNbO3and their optical signatures,” Physical Review B, 2015.","chicago":"Li, Yanlu, Wolf Gero Schmidt, and Simone Sanna. “Defect Complexes in CongruentLiNbO3and Their Optical Signatures.” Physical Review B, 2015. https://doi.org/10.1103/physrevb.91.174106.","bibtex":"@article{Li_Schmidt_Sanna_2015, title={Defect complexes in congruentLiNbO3and their optical signatures}, DOI={10.1103/physrevb.91.174106}, journal={Physical Review B}, author={Li, Yanlu and Schmidt, Wolf Gero and Sanna, Simone}, year={2015} }","mla":"Li, Yanlu, et al. “Defect Complexes in CongruentLiNbO3and Their Optical Signatures.” Physical Review B, 2015, doi:10.1103/physrevb.91.174106.","short":"Y. Li, W.G. Schmidt, S. Sanna, Physical Review B (2015).","apa":"Li, Y., Schmidt, W. G., & Sanna, S. (2015). Defect complexes in congruentLiNbO3and their optical signatures. Physical Review B. https://doi.org/10.1103/physrevb.91.174106"},"date_updated":"2022-01-06T06:50:27Z","author":[{"first_name":"Yanlu","full_name":"Li, Yanlu","last_name":"Li"},{"first_name":"Wolf Gero","orcid":"0000-0002-2717-5076","last_name":"Schmidt","id":"468","full_name":"Schmidt, Wolf Gero"},{"first_name":"Simone","last_name":"Sanna","full_name":"Sanna, Simone"}],"date_created":"2019-05-29T08:42:52Z","title":"Defect complexes in congruentLiNbO3and their optical signatures","doi":"10.1103/physrevb.91.174106"},{"doi":"10.1016/j.commatsci.2015.03.025","title":"Modeling atomic force microscopy at LiNbO 3 surfaces from first-principles","date_created":"2019-05-29T08:50:16Z","author":[{"last_name":"Sanna","full_name":"Sanna, S.","first_name":"S."},{"first_name":"C.","full_name":"Dues, C.","last_name":"Dues"},{"full_name":"Schmidt, Wolf Gero","id":"468","orcid":"0000-0002-2717-5076","last_name":"Schmidt","first_name":"Wolf Gero"}],"date_updated":"2022-01-06T06:50:27Z","citation":{"ama":"Sanna S, Dues C, Schmidt WG. Modeling atomic force microscopy at LiNbO 3 surfaces from first-principles. Computational Materials Science. 2015:145-150. doi:10.1016/j.commatsci.2015.03.025","ieee":"S. Sanna, C. Dues, and W. G. Schmidt, “Modeling atomic force microscopy at LiNbO 3 surfaces from first-principles,” Computational Materials Science, pp. 145–150, 2015.","chicago":"Sanna, S., C. Dues, and Wolf Gero Schmidt. “Modeling Atomic Force Microscopy at LiNbO 3 Surfaces from First-Principles.” Computational Materials Science, 2015, 145–50. https://doi.org/10.1016/j.commatsci.2015.03.025.","apa":"Sanna, S., Dues, C., & Schmidt, W. G. (2015). Modeling atomic force microscopy at LiNbO 3 surfaces from first-principles. Computational Materials Science, 145–150. https://doi.org/10.1016/j.commatsci.2015.03.025","short":"S. Sanna, C. Dues, W.G. Schmidt, Computational Materials Science (2015) 145–150.","bibtex":"@article{Sanna_Dues_Schmidt_2015, title={Modeling atomic force microscopy at LiNbO 3 surfaces from first-principles}, DOI={10.1016/j.commatsci.2015.03.025}, 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.” Computational Materials Science, 2015, pp. 145–50, doi:10.1016/j.commatsci.2015.03.025."},"page":"145-150","year":"2015","publication_status":"published","publication_identifier":{"issn":["0927-0256"]},"language":[{"iso":"eng"}],"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"},{"_id":"69","name":"TRR 142 - Subproject B4"}],"_id":"10033","status":"public","type":"journal_article","publication":"Computational Materials Science"},{"type":"journal_article","status":"public","department":[{"_id":"15"},{"_id":"230"}],"user_id":"22501","_id":"4332","project":[{"name":"TRR 142","_id":"53","grant_number":"231447078"},{"_id":"55","name":"TRR 142 - Project Area B"},{"grant_number":"231447078","name":"TRR 142 - Subproject B3","_id":"68"},{"grant_number":"231447078","_id":"69","name":"TRR 142 - Subproject B4"},{"_id":"52","name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"funded_apc":"1","article_type":"original","publication_identifier":{"issn":["1098-0121","1550-235X"]},"publication_status":"published","intvolume":" 91","citation":{"apa":"Sanna, S., Neufeld, S., Rüsing, M., Berth, G., Zrenner, A., & Schmidt, W. G. (2015). Raman scattering efficiency in LiTaO3 and LiNbO3 crystals. Physical Review B, 91(22). https://doi.org/10.1103/physrevb.91.224302","mla":"Sanna, Simone, et al. “Raman Scattering Efficiency in LiTaO3 and LiNbO3 Crystals.” Physical Review B, vol. 91, no. 22, American Physical Society (APS), 2015, doi:10.1103/physrevb.91.224302.","bibtex":"@article{Sanna_Neufeld_Rüsing_Berth_Zrenner_Schmidt_2015, title={Raman scattering efficiency in LiTaO3 and LiNbO3 crystals}, volume={91}, DOI={10.1103/physrevb.91.224302}, 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).","ieee":"S. Sanna, S. Neufeld, M. Rüsing, G. Berth, A. Zrenner, and W. G. Schmidt, “Raman scattering efficiency in LiTaO3 and LiNbO3 crystals,” Physical Review B, vol. 91, no. 22, 2015, doi: 10.1103/physrevb.91.224302.","chicago":"Sanna, Simone, Sergej Neufeld, Michael Rüsing, Gerhard Berth, Artur Zrenner, and Wolf Gero Schmidt. “Raman Scattering Efficiency in LiTaO3 and LiNbO3 Crystals.” Physical Review B 91, no. 22 (2015). https://doi.org/10.1103/physrevb.91.224302.","ama":"Sanna S, Neufeld S, Rüsing M, Berth G, Zrenner A, Schmidt WG. Raman scattering efficiency in LiTaO3 and LiNbO3 crystals. Physical Review B. 2015;91(22). doi:10.1103/physrevb.91.224302"},"volume":91,"author":[{"full_name":"Sanna, Simone","last_name":"Sanna","first_name":"Simone"},{"full_name":"Neufeld, Sergej","id":"23261","last_name":"Neufeld","first_name":"Sergej"},{"last_name":"Rüsing","orcid":"0000-0003-4682-4577","id":"22501","full_name":"Rüsing, Michael","first_name":"Michael"},{"first_name":"Gerhard","last_name":"Berth","full_name":"Berth, Gerhard","id":"53"},{"first_name":"Artur","last_name":"Zrenner","orcid":"0000-0002-5190-0944","id":"606","full_name":"Zrenner, Artur"},{"first_name":"Wolf Gero","last_name":"Schmidt","orcid":"0000-0002-2717-5076","id":"468","full_name":"Schmidt, Wolf Gero"}],"date_updated":"2023-10-11T07:25:58Z","doi":"10.1103/physrevb.91.224302","publication":"Physical Review B","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."}],"language":[{"iso":"eng"}],"issue":"22","year":"2015","date_created":"2018-08-30T13:51:38Z","publisher":"American Physical Society (APS)","title":"Raman scattering efficiency in LiTaO3 and LiNbO3 crystals"},{"publication":"Scientific Reports","abstract":[{"lang":"eng","text":"Recently, a new class of nonlinear systems was introduced, in which the self-trapping of fundamental and vortical localized modes in space of dimension D is supported by cubic self-repulsion with a strength growing as a function of the distance from the center, r, at any rate faster that rD. These systems support robust 2D and 3D modes which either do not exist or are unstable in other nonlinear systems. Here we demonstrate a possibility to create solitary vortices in this setting by applying a phase-imprinting torque to the ground state. Initially, a strong torque completely destroys the ground state. However, contrary to usual systems, where the destruction is irreversible, the present ones demonstrate a rapid restabilization and the creation of one or several shifted vortices orbiting the center. For the sake of comparison, we show analytically that, in the linear system with a 3D trapping potential, the action of a torque on the ground state is inefficient and creates only even-vorticity states with a small probability."}],"language":[{"iso":"eng"}],"year":"2015","date_created":"2019-10-18T10:55:40Z","title":"Creation of vortices by torque in multidimensional media with inhomogeneous defocusing nonlinearity","type":"journal_article","status":"public","_id":"13935","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"}],"department":[{"_id":"15"},{"_id":"170"},{"_id":"293"},{"_id":"230"}],"user_id":"49063","article_number":"9420","funded_apc":"1","publication_identifier":{"issn":["2045-2322"]},"publication_status":"published","intvolume":" 5","citation":{"ama":"Driben R, Meier T, Malomed BA. Creation of vortices by torque in multidimensional media with inhomogeneous defocusing nonlinearity. Scientific Reports. 2015;5. doi:10.1038/srep09420","ieee":"R. Driben, T. Meier, and B. A. Malomed, “Creation of vortices by torque in multidimensional media with inhomogeneous defocusing nonlinearity,” Scientific Reports, vol. 5, Art. no. 9420, 2015, doi: 10.1038/srep09420.","chicago":"Driben, Rodislav, Torsten Meier, and Boris A. Malomed. “Creation of Vortices by Torque in Multidimensional Media with Inhomogeneous Defocusing Nonlinearity.” Scientific Reports 5 (2015). https://doi.org/10.1038/srep09420.","mla":"Driben, Rodislav, et al. “Creation of Vortices by Torque in Multidimensional Media with Inhomogeneous Defocusing Nonlinearity.” Scientific Reports, vol. 5, 9420, 2015, doi:10.1038/srep09420.","short":"R. Driben, T. Meier, B.A. Malomed, Scientific Reports 5 (2015).","bibtex":"@article{Driben_Meier_Malomed_2015, title={Creation of vortices by torque in multidimensional media with inhomogeneous defocusing nonlinearity}, volume={5}, DOI={10.1038/srep09420}, number={9420}, journal={Scientific Reports}, author={Driben, Rodislav and Meier, Torsten and Malomed, Boris A.}, year={2015} }","apa":"Driben, R., Meier, T., & Malomed, B. A. (2015). Creation of vortices by torque in multidimensional media with inhomogeneous defocusing nonlinearity. Scientific Reports, 5, Article 9420. https://doi.org/10.1038/srep09420"},"date_updated":"2023-04-16T21:38:58Z","volume":5,"author":[{"first_name":"Rodislav","full_name":"Driben, Rodislav","last_name":"Driben"},{"orcid":"0000-0001-8864-2072","last_name":"Meier","full_name":"Meier, Torsten","id":"344","first_name":"Torsten"},{"first_name":"Boris A.","full_name":"Malomed, Boris A.","last_name":"Malomed"}],"doi":"10.1038/srep09420"},{"intvolume":" 9361","citation":{"bibtex":"@inproceedings{Podzimski_Duc_Meier_2015, series={SPIE Proceedings}, title={Time-domain calculations of shift currents in bulk GaAs}, volume={9361}, DOI={10.1117/12.2078123}, number={93611U}, booktitle={SPIE Proceedings Vol. 9361: Ultrafast Phenomena and Nanophotonics XIX}, publisher={SPIE}, author={Podzimski, Reinold and Duc, Huynh T. and Meier, Torsten}, editor={Betz, Markus and Elezzabi, Abdulhakem Y. and Tsen, Kong-Thon}, year={2015}, collection={SPIE Proceedings} }","mla":"Podzimski, Reinold, et al. “Time-Domain Calculations of Shift Currents in Bulk GaAs.” SPIE Proceedings Vol. 9361: Ultrafast Phenomena and Nanophotonics XIX, edited by Markus Betz et al., vol. 9361, 93611U, SPIE, 2015, doi:10.1117/12.2078123.","short":"R. Podzimski, H.T. Duc, T. Meier, in: M. Betz, A.Y. Elezzabi, K.-T. Tsen (Eds.), SPIE Proceedings Vol. 9361: Ultrafast Phenomena and Nanophotonics XIX, SPIE, 2015.","apa":"Podzimski, R., Duc, H. T., & Meier, T. (2015). Time-domain calculations of shift currents in bulk GaAs. In M. Betz, A. Y. Elezzabi, & K.-T. Tsen (Eds.), SPIE Proceedings Vol. 9361: Ultrafast Phenomena and Nanophotonics XIX (No. 93611U; Vol. 9361). SPIE. https://doi.org/10.1117/12.2078123","ama":"Podzimski R, Duc HT, Meier T. Time-domain calculations of shift currents in bulk GaAs. In: Betz M, Elezzabi AY, Tsen K-T, eds. SPIE Proceedings Vol. 9361: Ultrafast Phenomena and Nanophotonics XIX. Vol 9361. SPIE Proceedings. SPIE; 2015. doi:10.1117/12.2078123","chicago":"Podzimski, Reinold, Huynh T. Duc, and Torsten Meier. “Time-Domain Calculations of Shift Currents in Bulk GaAs.” In SPIE Proceedings Vol. 9361: Ultrafast Phenomena and Nanophotonics XIX, edited by Markus Betz, Abdulhakem Y. Elezzabi, and Kong-Thon Tsen, Vol. 9361. SPIE Proceedings. SPIE, 2015. https://doi.org/10.1117/12.2078123.","ieee":"R. Podzimski, H. T. Duc, and T. Meier, “Time-domain calculations of shift currents in bulk GaAs,” in SPIE Proceedings Vol. 9361: Ultrafast Phenomena and Nanophotonics XIX, 2015, vol. 9361, doi: 10.1117/12.2078123."},"publication_status":"published","doi":"10.1117/12.2078123","date_updated":"2023-04-16T21:42:04Z","volume":9361,"author":[{"first_name":"Reinold","full_name":"Podzimski, Reinold","last_name":"Podzimski"},{"first_name":"Huynh T.","last_name":"Duc","full_name":"Duc, Huynh T."},{"orcid":"0000-0001-8864-2072","last_name":"Meier","full_name":"Meier, Torsten","id":"344","first_name":"Torsten"}],"editor":[{"last_name":"Betz","full_name":"Betz, Markus","first_name":"Markus"},{"first_name":"Abdulhakem Y.","last_name":"Elezzabi","full_name":"Elezzabi, Abdulhakem Y."},{"full_name":"Tsen, Kong-Thon","last_name":"Tsen","first_name":"Kong-Thon"}],"status":"public","type":"conference","article_number":"93611U","_id":"22950","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"}],"department":[{"_id":"15"},{"_id":"170"},{"_id":"293"},{"_id":"230"}],"user_id":"49063","series_title":"SPIE Proceedings","year":"2015","title":"Time-domain calculations of shift currents in bulk GaAs","publisher":"SPIE","date_created":"2021-08-06T08:54:36Z","publication":"SPIE Proceedings Vol. 9361: Ultrafast Phenomena and Nanophotonics XIX","language":[{"iso":"eng"}]},{"year":"2015","issue":"38","quality_controlled":"1","title":"Phonon dispersion and zero-point renormalization of LiNbO3 from density-functional perturbation theory","date_created":"2019-05-29T08:41:18Z","publisher":"IOP Publishing","file":[{"creator":"schindlm","file_size":1793430,"file_name":"Friedrich_2015_J._Phys. _Condens._Matter_27_385402.pdf","content_type":"application/pdf","date_updated":"2020-08-30T14:46:56Z","date_created":"2020-08-28T14:24:23Z","description":"© 2015 IOP Publishing Ltd","title":"Phonon dispersion and zero-point renormalization of LiNbO3 from density-functional perturbation theory","access_level":"closed","file_id":"18578","relation":"main_file"}],"abstract":[{"lang":"eng","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."}],"publication":"Journal of Physics: Condensed Matter","language":[{"iso":"eng"}],"ddc":["530"],"external_id":{"isi":["000362549700004"],"pmid":["26337951"]},"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={10.1088/0953-8984/27/38/385402}, 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.” Journal of Physics: Condensed Matter, vol. 27, no. 38, 385402, IOP Publishing, 2015, doi:10.1088/0953-8984/27/38/385402.","apa":"Friedrich, M., Riefer, A., Sanna, S., Schmidt, W. G., & Schindlmayr, A. (2015). Phonon dispersion and zero-point renormalization of LiNbO3 from density-functional perturbation theory. Journal of Physics: Condensed Matter, 27(38), Article 385402. https://doi.org/10.1088/0953-8984/27/38/385402","ama":"Friedrich M, Riefer A, Sanna S, Schmidt WG, Schindlmayr A. Phonon dispersion and zero-point renormalization of LiNbO3 from density-functional perturbation theory. Journal of Physics: Condensed Matter. 2015;27(38). doi:10.1088/0953-8984/27/38/385402","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,” Journal of Physics: Condensed Matter, vol. 27, no. 38, Art. no. 385402, 2015, doi: 10.1088/0953-8984/27/38/385402.","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.” Journal of Physics: Condensed Matter 27, no. 38 (2015). https://doi.org/10.1088/0953-8984/27/38/385402."},"intvolume":" 27","publication_status":"published","has_accepted_license":"1","pmid":"1","publication_identifier":{"issn":["0953-8984"],"eissn":["1361-648X"]},"doi":"10.1088/0953-8984/27/38/385402","author":[{"first_name":"Michael","full_name":"Friedrich, Michael","last_name":"Friedrich"},{"last_name":"Riefer","full_name":"Riefer, Arthur","first_name":"Arthur"},{"full_name":"Sanna, Simone","last_name":"Sanna","first_name":"Simone"},{"full_name":"Schmidt, Wolf Gero","id":"468","last_name":"Schmidt","orcid":"0000-0002-2717-5076","first_name":"Wolf Gero"},{"orcid":"0000-0002-4855-071X","last_name":"Schindlmayr","full_name":"Schindlmayr, Arno","id":"458","first_name":"Arno"}],"volume":27,"date_updated":"2025-12-05T10:00:42Z","status":"public","type":"journal_article","file_date_updated":"2020-08-30T14:46:56Z","article_type":"original","isi":"1","article_number":"385402","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"},{"_id":"53","name":"TRR 142"},{"_id":"55","name":"TRR 142 - Project Area B"},{"name":"TRR 142 - Subproject B4","_id":"69"},{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"_id":"10030"},{"publication_status":"published","publication_identifier":{"issn":["1098-0121","1550-235X"]},"issue":"22","year":"2015","citation":{"apa":"Müllegger, S., Rauls, E., Gerstmann, U., Tebi, S., Serrano, G., Wiespointner-Baumgarthuber, S., Schmidt, W. G., & Koch, R. (2015). Mechanism for nuclear and electron spin excitation by radio frequency current. Physical Review B, 92(22). https://doi.org/10.1103/physrevb.92.220418","mla":"Müllegger, Stefan, et al. “Mechanism for Nuclear and Electron Spin Excitation by Radio Frequency Current.” Physical Review B, vol. 92, no. 22, 2015, doi:10.1103/physrevb.92.220418.","short":"S. Müllegger, E. Rauls, U. Gerstmann, S. Tebi, G. Serrano, S. Wiespointner-Baumgarthuber, W.G. Schmidt, R. Koch, Physical Review B 92 (2015).","bibtex":"@article{Müllegger_Rauls_Gerstmann_Tebi_Serrano_Wiespointner-Baumgarthuber_Schmidt_Koch_2015, title={Mechanism for nuclear and electron spin excitation by radio frequency current}, volume={92}, DOI={10.1103/physrevb.92.220418}, number={22}, journal={Physical Review B}, author={Müllegger, Stefan and Rauls, Eva and Gerstmann, Uwe and Tebi, Stefano and Serrano, Giulia and Wiespointner-Baumgarthuber, Stefan and Schmidt, Wolf Gero and Koch, Reinhold}, year={2015} }","ama":"Müllegger S, Rauls E, Gerstmann U, et al. Mechanism for nuclear and electron spin excitation by radio frequency current. Physical Review B. 2015;92(22). doi:10.1103/physrevb.92.220418","ieee":"S. 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