[{"doi":"10.1103/physrevmaterials.7.024420","date_updated":"2023-10-11T09:08:16Z","language":[{"iso":"eng"}],"title":"Vibrational properties of LiNbO3 and LiTaO3 under uniaxial stress","publication_status":"published","publication_identifier":{"issn":["2475-9953"]},"article_number":"024420","issue":"2","_id":"47993","intvolume":" 7","type":"journal_article","citation":{"short":"E. Singh, M.N. Pionteck, S. Reitzig, M. Lange, M. Rüsing, L.M. Eng, S. Sanna, Physical Review Materials 7 (2023).","ieee":"E. Singh et al., “Vibrational properties of LiNbO3 and LiTaO3 under uniaxial stress,” Physical Review Materials, vol. 7, no. 2, Art. no. 024420, 2023, doi: 10.1103/physrevmaterials.7.024420.","chicago":"Singh, Ekta, Mike N. Pionteck, Sven Reitzig, Michael Lange, Michael Rüsing, Lukas M. Eng, and Simone Sanna. “Vibrational Properties of LiNbO3 and LiTaO3 under Uniaxial Stress.” Physical Review Materials 7, no. 2 (2023). https://doi.org/10.1103/physrevmaterials.7.024420.","apa":"Singh, E., Pionteck, M. N., Reitzig, S., Lange, M., Rüsing, M., Eng, L. M., & Sanna, S. (2023). Vibrational properties of LiNbO3 and LiTaO3 under uniaxial stress. Physical Review Materials, 7(2), Article 024420. https://doi.org/10.1103/physrevmaterials.7.024420","ama":"Singh E, Pionteck MN, Reitzig S, et al. Vibrational properties of LiNbO3 and LiTaO3 under uniaxial stress. Physical Review Materials. 2023;7(2). doi:10.1103/physrevmaterials.7.024420","mla":"Singh, Ekta, et al. “Vibrational Properties of LiNbO3 and LiTaO3 under Uniaxial Stress.” Physical Review Materials, vol. 7, no. 2, 024420, American Physical Society (APS), 2023, doi:10.1103/physrevmaterials.7.024420.","bibtex":"@article{Singh_Pionteck_Reitzig_Lange_Rüsing_Eng_Sanna_2023, title={Vibrational properties of LiNbO3 and LiTaO3 under uniaxial stress}, volume={7}, DOI={10.1103/physrevmaterials.7.024420}, number={2024420}, journal={Physical Review Materials}, publisher={American Physical Society (APS)}, author={Singh, Ekta and Pionteck, Mike N. and Reitzig, Sven and Lange, Michael and Rüsing, Michael and Eng, Lukas M. and Sanna, Simone}, year={2023} }"},"year":"2023","user_id":"22501","extern":"1","abstract":[{"text":"Structural strain severely impacts material properties, such as the linear and nonlinear optical response. Moreover, strain plays a key role, e.g., in the physics of ferroelectrics and, in particular, of their domain walls. μ-Raman spectroscopy is a well-suited technique for the investigation of such strain effects as it allows to measure the lattice dynamics locally. However, quantifying and reconstructing strain fields from Raman maps requires knowledge on the strain dependence of phonon frequencies. In this paper, we have analyzed both theoretically and experimentally the phonon frequencies in the widely used ferroelectrics lithium niobate and lithium tantalate as a function of uniaxial strain via density functional theory and μ-Raman spectroscopy. Overall, we find a good agreement between our ab initio models and the experimental data performed with a stress cell. The majority of phonons show an increase in frequency under compressive strain, whereas the opposite is observed for tensile strains. Moreover, for E-type phonons, we observe the lifting of degeneracy already at moderate strain fields (i.e., at ±0.2%) along the x and y directions. This paper, hence, allows for the systematic analysis of three-dimensional strains in modern-type bulk and thin-film devices assembled from lithium niobate and tantalate.","lang":"eng"}],"article_type":"original","volume":7,"date_created":"2023-10-11T09:06:56Z","status":"public","publication":"Physical Review Materials","keyword":["Physics and Astronomy (miscellaneous)","General Materials Science"],"publisher":"American Physical Society (APS)","author":[{"last_name":"Singh","first_name":"Ekta","full_name":"Singh, Ekta"},{"last_name":"Pionteck","first_name":"Mike N.","full_name":"Pionteck, Mike N."},{"full_name":"Reitzig, Sven","first_name":"Sven","last_name":"Reitzig"},{"last_name":"Lange","first_name":"Michael","full_name":"Lange, Michael"},{"id":"22501","last_name":"Rüsing","orcid":"0000-0003-4682-4577","full_name":"Rüsing, Michael","first_name":"Michael"},{"last_name":"Eng","first_name":"Lukas M.","full_name":"Eng, Lukas M."},{"last_name":"Sanna","first_name":"Simone","full_name":"Sanna, Simone"}],"quality_controlled":"1"},{"author":[{"first_name":"Sergej","full_name":"Neufeld, Sergej","last_name":"Neufeld","id":"23261"},{"first_name":"Adriana","full_name":"Bocchini, Adriana","orcid":"https://orcid.org/0000-0002-2134-3075","last_name":"Bocchini","id":"58349"},{"last_name":"Schmidt","id":"468","first_name":"Wolf Gero","full_name":"Schmidt, Wolf Gero","orcid":"0000-0002-2717-5076"}],"department":[{"_id":"15"},{"_id":"295"},{"_id":"170"},{"_id":"429"},{"_id":"230"},{"_id":"35"}],"publication":"Physical Review Materials","publication_identifier":{"issn":["2475-9953"]},"publication_status":"published","status":"public","project":[{"name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"},{"_id":"53","name":"TRR 142: TRR 142"},{"_id":"55","name":"TRR 142 - B: TRR 142 - Project Area B"},{"name":"TRR 142 - B4: TRR 142 - Subproject B4","_id":"69"}],"date_created":"2021-06-14T17:34:35Z","title":"Potassium titanyl phosphate Z- and Y-cut surfaces from density-functional theory","user_id":"16199","type":"journal_article","year":"2021","citation":{"mla":"Neufeld, Sergej, et al. “Potassium Titanyl Phosphate Z- and Y-Cut Surfaces from Density-Functional Theory.” Physical Review Materials, 2021, doi:10.1103/physrevmaterials.5.064407.","bibtex":"@article{Neufeld_Bocchini_Schmidt_2021, title={Potassium titanyl phosphate Z- and Y-cut surfaces from density-functional theory}, DOI={10.1103/physrevmaterials.5.064407}, journal={Physical Review Materials}, author={Neufeld, Sergej and Bocchini, Adriana and Schmidt, Wolf Gero}, year={2021} }","apa":"Neufeld, S., Bocchini, A., & Schmidt, W. G. (2021). Potassium titanyl phosphate Z- and Y-cut surfaces from density-functional theory. Physical Review Materials. https://doi.org/10.1103/physrevmaterials.5.064407","ama":"Neufeld S, Bocchini A, Schmidt WG. Potassium titanyl phosphate Z- and Y-cut surfaces from density-functional theory. Physical Review Materials. Published online 2021. doi:10.1103/physrevmaterials.5.064407","chicago":"Neufeld, Sergej, Adriana Bocchini, and Wolf Gero Schmidt. “Potassium Titanyl Phosphate Z- and Y-Cut Surfaces from Density-Functional Theory.” Physical Review Materials, 2021. https://doi.org/10.1103/physrevmaterials.5.064407.","ieee":"S. Neufeld, A. Bocchini, and W. G. Schmidt, “Potassium titanyl phosphate Z- and Y-cut surfaces from density-functional theory,” Physical Review Materials, 2021, doi: 10.1103/physrevmaterials.5.064407.","short":"S. Neufeld, A. Bocchini, W.G. Schmidt, Physical Review Materials (2021)."},"language":[{"iso":"eng"}],"date_updated":"2023-04-20T14:08:07Z","_id":"22310","doi":"10.1103/physrevmaterials.5.064407"},{"language":[{"iso":"eng"}],"type":"journal_article","citation":{"mla":"Riedl, T., et al. “Strain-Driven InAs Island Growth on Top of GaAs(111) Nanopillars.” Physical Review Materials, 2020, doi:10.1103/physrevmaterials.4.014602.","bibtex":"@article{Riedl_Kunnathully_Trapp_Langer_Reuter_Lindner_2020, title={Strain-driven InAs island growth on top of GaAs(111) nanopillars}, DOI={10.1103/physrevmaterials.4.014602}, journal={Physical Review Materials}, author={Riedl, T. and Kunnathully, V. S. and Trapp, A. and Langer, T. and Reuter, Dirk and Lindner, J. K. N.}, year={2020} }","chicago":"Riedl, T., V. S. Kunnathully, A. Trapp, T. Langer, Dirk Reuter, and J. K. N. Lindner. “Strain-Driven InAs Island Growth on Top of GaAs(111) Nanopillars.” Physical Review Materials, 2020. https://doi.org/10.1103/physrevmaterials.4.014602.","ama":"Riedl T, Kunnathully VS, Trapp A, Langer T, Reuter D, Lindner JKN. Strain-driven InAs island growth on top of GaAs(111) nanopillars. Physical Review Materials. 2020. doi:10.1103/physrevmaterials.4.014602","apa":"Riedl, T., Kunnathully, V. S., Trapp, A., Langer, T., Reuter, D., & Lindner, J. K. N. (2020). Strain-driven InAs island growth on top of GaAs(111) nanopillars. Physical Review Materials. https://doi.org/10.1103/physrevmaterials.4.014602","ieee":"T. Riedl, V. S. Kunnathully, A. Trapp, T. Langer, D. Reuter, and J. K. N. Lindner, “Strain-driven InAs island growth on top of GaAs(111) nanopillars,” Physical Review Materials, 2020.","short":"T. Riedl, V.S. Kunnathully, A. Trapp, T. Langer, D. Reuter, J.K.N. Lindner, Physical Review Materials (2020)."},"year":"2020","doi":"10.1103/physrevmaterials.4.014602","_id":"21797","date_updated":"2022-01-06T06:55:13Z","date_created":"2021-04-26T07:27:11Z","status":"public","publication_identifier":{"issn":["2475-9953"]},"publication_status":"published","department":[{"_id":"15"},{"_id":"230"}],"publication":"Physical Review Materials","author":[{"full_name":"Riedl, T.","first_name":"T.","last_name":"Riedl"},{"first_name":"V. S.","full_name":"Kunnathully, V. S.","last_name":"Kunnathully"},{"full_name":"Trapp, A.","first_name":"A.","last_name":"Trapp"},{"first_name":"T.","full_name":"Langer, T.","last_name":"Langer"},{"first_name":"Dirk","full_name":"Reuter, Dirk","last_name":"Reuter","id":"37763"},{"first_name":"J. K. N.","full_name":"Lindner, J. K. N.","last_name":"Lindner"}],"user_id":"42514","title":"Strain-driven InAs island growth on top of GaAs(111) nanopillars"},{"type":"journal_article","citation":{"ieee":"T. Riedl, V. S. Kunnathully, A. Trapp, T. Langer, D. Reuter, and J. K. N. Lindner, “Strain-driven InAs island growth on top of GaAs(111) nanopillars,” Physical Review Materials, 2020.","short":"T. Riedl, V.S. Kunnathully, A. Trapp, T. Langer, D. Reuter, J.K.N. Lindner, Physical Review Materials (2020).","bibtex":"@article{Riedl_Kunnathully_Trapp_Langer_Reuter_Lindner_2020, title={Strain-driven InAs island growth on top of GaAs(111) nanopillars}, DOI={10.1103/physrevmaterials.4.014602}, journal={Physical Review Materials}, author={Riedl, T. and Kunnathully, V. S. and Trapp, A. and Langer, T. and Reuter, D. and Lindner, J. K. N.}, year={2020} }","mla":"Riedl, T., et al. “Strain-Driven InAs Island Growth on Top of GaAs(111) Nanopillars.” Physical Review Materials, 2020, doi:10.1103/physrevmaterials.4.014602.","ama":"Riedl T, Kunnathully VS, Trapp A, Langer T, Reuter D, Lindner JKN. Strain-driven InAs island growth on top of GaAs(111) nanopillars. Physical Review Materials. 2020. doi:10.1103/physrevmaterials.4.014602","apa":"Riedl, T., Kunnathully, V. S., Trapp, A., Langer, T., Reuter, D., & Lindner, J. K. N. (2020). Strain-driven InAs island growth on top of GaAs(111) nanopillars. Physical Review Materials. https://doi.org/10.1103/physrevmaterials.4.014602","chicago":"Riedl, T., V. S. Kunnathully, A. Trapp, T. Langer, D. Reuter, and J. K. N. Lindner. “Strain-Driven InAs Island Growth on Top of GaAs(111) Nanopillars.” Physical Review Materials, 2020. https://doi.org/10.1103/physrevmaterials.4.014602."},"year":"2020","language":[{"iso":"eng"}],"doi":"10.1103/physrevmaterials.4.014602","date_updated":"2022-01-06T06:52:32Z","_id":"15714","publication_identifier":{"issn":["2475-9953"]},"publication_status":"published","date_created":"2020-01-29T08:37:47Z","status":"public","department":[{"_id":"15"},{"_id":"230"}],"publication":"Physical Review Materials","author":[{"first_name":"T.","full_name":"Riedl, T.","last_name":"Riedl"},{"last_name":"Kunnathully","full_name":"Kunnathully, V. S.","first_name":"V. S."},{"full_name":"Trapp, A.","first_name":"A.","last_name":"Trapp"},{"full_name":"Langer, T.","first_name":"T.","last_name":"Langer"},{"full_name":"Reuter, D.","first_name":"D.","last_name":"Reuter"},{"full_name":"Lindner, J. K. N.","first_name":"J. K. N.","last_name":"Lindner"}],"title":"Strain-driven InAs island growth on top of GaAs(111) nanopillars","user_id":"42514"},{"publication_status":"published","publication_identifier":{"issn":["2475-9953"]},"department":[{"_id":"15"},{"_id":"230"}],"title":"Strain-driven InAs island growth on top of GaAs(111) nanopillars","language":[{"iso":"eng"}],"doi":"10.1103/physrevmaterials.4.014602","date_updated":"2023-01-10T12:12:13Z","date_created":"2022-11-15T14:21:41Z","status":"public","volume":4,"publication":"Physical Review Materials","keyword":["Physics and Astronomy (miscellaneous)","General Materials Science"],"author":[{"first_name":"Thomas","full_name":"Riedl, Thomas","last_name":"Riedl","id":"36950"},{"first_name":"V. S.","full_name":"Kunnathully, V. S.","last_name":"Kunnathully"},{"full_name":"Trapp, A.","first_name":"A.","last_name":"Trapp"},{"last_name":"Langer","full_name":"Langer, T.","first_name":"T."},{"last_name":"Reuter","id":"37763","first_name":"Dirk","full_name":"Reuter, Dirk"},{"first_name":"Jörg","full_name":"Lindner, Jörg","last_name":"Lindner","id":"20797"}],"publisher":"American Physical Society (APS)","user_id":"77496","citation":{"bibtex":"@article{Riedl_Kunnathully_Trapp_Langer_Reuter_Lindner_2020, title={Strain-driven InAs island growth on top of GaAs(111) nanopillars}, volume={4}, DOI={10.1103/physrevmaterials.4.014602}, number={1014602}, journal={Physical Review Materials}, publisher={American Physical Society (APS)}, author={Riedl, Thomas and Kunnathully, V. S. and Trapp, A. and Langer, T. and Reuter, Dirk and Lindner, Jörg}, year={2020} }","mla":"Riedl, Thomas, et al. “Strain-Driven InAs Island Growth on Top of GaAs(111) Nanopillars.” Physical Review Materials, vol. 4, no. 1, 014602, American Physical Society (APS), 2020, doi:10.1103/physrevmaterials.4.014602.","ama":"Riedl T, Kunnathully VS, Trapp A, Langer T, Reuter D, Lindner J. Strain-driven InAs island growth on top of GaAs(111) nanopillars. Physical Review Materials. 2020;4(1). doi:10.1103/physrevmaterials.4.014602","apa":"Riedl, T., Kunnathully, V. S., Trapp, A., Langer, T., Reuter, D., & Lindner, J. (2020). Strain-driven InAs island growth on top of GaAs(111) nanopillars. Physical Review Materials, 4(1), Article 014602. https://doi.org/10.1103/physrevmaterials.4.014602","chicago":"Riedl, Thomas, V. S. Kunnathully, A. Trapp, T. Langer, Dirk Reuter, and Jörg Lindner. “Strain-Driven InAs Island Growth on Top of GaAs(111) Nanopillars.” Physical Review Materials 4, no. 1 (2020). https://doi.org/10.1103/physrevmaterials.4.014602.","ieee":"T. Riedl, V. S. Kunnathully, A. Trapp, T. Langer, D. Reuter, and J. Lindner, “Strain-driven InAs island growth on top of GaAs(111) nanopillars,” Physical Review Materials, vol. 4, no. 1, Art. no. 014602, 2020, doi: 10.1103/physrevmaterials.4.014602.","short":"T. Riedl, V.S. Kunnathully, A. Trapp, T. Langer, D. Reuter, J. Lindner, Physical Review Materials 4 (2020)."},"type":"journal_article","year":"2020","issue":"1","article_number":"014602","_id":"34093","intvolume":" 4"},{"doi":"10.1103/physrevmaterials.3.104603","date_updated":"2022-01-06T06:56:01Z","_id":"23831","citation":{"ama":"Baron E, Goldhahn R, Deppe M, As DJ, Feneberg M. Influence of the free-electron concentration on the optical properties of zincblende GaN up to 1×1020cm−3. Physical Review Materials. 2019. doi:10.1103/physrevmaterials.3.104603","apa":"Baron, E., Goldhahn, R., Deppe, M., As, D. J., & Feneberg, M. (2019). Influence of the free-electron concentration on the optical properties of zincblende GaN up to 1×1020cm−3. Physical Review Materials. https://doi.org/10.1103/physrevmaterials.3.104603","chicago":"Baron, Elias, Rüdiger Goldhahn, Michael Deppe, Donat Josef As, and Martin Feneberg. “Influence of the Free-Electron Concentration on the Optical Properties of Zincblende GaN up to 1×1020cm−3.” Physical Review Materials, 2019. https://doi.org/10.1103/physrevmaterials.3.104603.","mla":"Baron, Elias, et al. “Influence of the Free-Electron Concentration on the Optical Properties of Zincblende GaN up to 1×1020cm−3.” Physical Review Materials, 2019, doi:10.1103/physrevmaterials.3.104603.","bibtex":"@article{Baron_Goldhahn_Deppe_As_Feneberg_2019, title={Influence of the free-electron concentration on the optical properties of zincblende GaN up to 1×1020cm−3}, DOI={10.1103/physrevmaterials.3.104603}, journal={Physical Review Materials}, author={Baron, Elias and Goldhahn, Rüdiger and Deppe, Michael and As, Donat Josef and Feneberg, Martin}, year={2019} }","short":"E. Baron, R. Goldhahn, M. Deppe, D.J. As, M. Feneberg, Physical Review Materials (2019).","ieee":"E. Baron, R. Goldhahn, M. Deppe, D. J. As, and M. Feneberg, “Influence of the free-electron concentration on the optical properties of zincblende GaN up to 1×1020cm−3,” Physical Review Materials, 2019."},"type":"journal_article","year":"2019","language":[{"iso":"eng"}],"title":"Influence of the free-electron concentration on the optical properties of zincblende GaN up to 1×1020cm−3","user_id":"14","publication_identifier":{"issn":["2475-9953"]},"publication_status":"published","date_created":"2021-09-07T08:40:08Z","status":"public","department":[{"_id":"230"},{"_id":"429"}],"publication":"Physical Review Materials","author":[{"last_name":"Baron","full_name":"Baron, Elias","first_name":"Elias"},{"last_name":"Goldhahn","first_name":"Rüdiger","full_name":"Goldhahn, Rüdiger"},{"last_name":"Deppe","full_name":"Deppe, Michael","first_name":"Michael"},{"id":"14","last_name":"As","orcid":"0000-0003-1121-3565","full_name":"As, Donat Josef","first_name":"Donat Josef"},{"first_name":"Martin","full_name":"Feneberg, Martin","last_name":"Feneberg"}]},{"date_created":"2019-10-22T12:27:30Z","status":"public","publication_identifier":{"issn":["2475-9953"]},"publication_status":"published","department":[{"_id":"230"},{"_id":"429"}],"publication":"Physical Review Materials","author":[{"first_name":"Elias","full_name":"Baron, Elias","last_name":"Baron"},{"last_name":"Goldhahn","full_name":"Goldhahn, Rüdiger","first_name":"Rüdiger"},{"last_name":"Deppe","full_name":"Deppe, Michael","first_name":"Michael"},{"orcid":"0000-0003-1121-3565","full_name":"As, Donat Josef","first_name":"Donat Josef","id":"14","last_name":"As"},{"last_name":"Feneberg","first_name":"Martin","full_name":"Feneberg, Martin"}],"user_id":"14","title":"Influence of the free-electron concentration on the optical properties of zincblende GaN up to 1×1020cm−3","language":[{"iso":"eng"}],"citation":{"bibtex":"@article{Baron_Goldhahn_Deppe_As_Feneberg_2019, title={Influence of the free-electron concentration on the optical properties of zincblende GaN up to 1×1020cm−3}, DOI={10.1103/physrevmaterials.3.104603}, journal={Physical Review Materials}, author={Baron, Elias and Goldhahn, Rüdiger and Deppe, Michael and As, Donat Josef and Feneberg, Martin}, year={2019} }","mla":"Baron, Elias, et al. “Influence of the Free-Electron Concentration on the Optical Properties of Zincblende GaN up to 1×1020cm−3.” Physical Review Materials, 2019, doi:10.1103/physrevmaterials.3.104603.","chicago":"Baron, Elias, Rüdiger Goldhahn, Michael Deppe, Donat Josef As, and Martin Feneberg. “Influence of the Free-Electron Concentration on the Optical Properties of Zincblende GaN up to 1×1020cm−3.” Physical Review Materials, 2019. https://doi.org/10.1103/physrevmaterials.3.104603.","ama":"Baron E, Goldhahn R, Deppe M, As DJ, Feneberg M. Influence of the free-electron concentration on the optical properties of zincblende GaN up to 1×1020cm−3. Physical Review Materials. 2019. doi:10.1103/physrevmaterials.3.104603","apa":"Baron, E., Goldhahn, R., Deppe, M., As, D. J., & Feneberg, M. (2019). Influence of the free-electron concentration on the optical properties of zincblende GaN up to 1×1020cm−3. Physical Review Materials. https://doi.org/10.1103/physrevmaterials.3.104603","ieee":"E. Baron, R. Goldhahn, M. Deppe, D. J. As, and M. Feneberg, “Influence of the free-electron concentration on the optical properties of zincblende GaN up to 1×1020cm−3,” Physical Review Materials, 2019.","short":"E. Baron, R. Goldhahn, M. Deppe, D.J. As, M. Feneberg, Physical Review Materials (2019)."},"type":"journal_article","year":"2019","doi":"10.1103/physrevmaterials.3.104603","date_updated":"2022-01-06T06:51:48Z","_id":"13966"},{"user_id":"16199","publication":"Physical Review Materials","author":[{"full_name":"Mamiyev, Z.","first_name":"Z.","last_name":"Mamiyev"},{"last_name":"Lichtenstein","first_name":"T.","full_name":"Lichtenstein, T."},{"first_name":"C.","full_name":"Tegenkamp, C.","last_name":"Tegenkamp"},{"orcid":"0000-0002-3224-2683","full_name":"Braun, Christian","first_name":"Christian","id":"28675","last_name":"Braun"},{"first_name":"Wolf Gero","full_name":"Schmidt, Wolf Gero","orcid":"0000-0002-2717-5076","last_name":"Schmidt","id":"468"},{"first_name":"S.","full_name":"Sanna, S.","last_name":"Sanna"},{"last_name":"Pfnür","full_name":"Pfnür, H.","first_name":"H."}],"date_created":"2019-09-20T11:11:55Z","status":"public","volume":2,"intvolume":" 2","_id":"13406","issue":"6","funded_apc":"1","citation":{"apa":"Mamiyev, Z., Lichtenstein, T., Tegenkamp, C., Braun, C., Schmidt, W. G., Sanna, S., & Pfnür, H. (2018). Plasmon spectroscopy: Robust metallicity of Au wires on Si(557) upon oxidation. Physical Review Materials, 2(6). https://doi.org/10.1103/physrevmaterials.2.066002","ama":"Mamiyev Z, Lichtenstein T, Tegenkamp C, et al. Plasmon spectroscopy: Robust metallicity of Au wires on Si(557) upon oxidation. Physical Review Materials. 2018;2(6). doi:10.1103/physrevmaterials.2.066002","chicago":"Mamiyev, Z., T. Lichtenstein, C. Tegenkamp, Christian Braun, Wolf Gero Schmidt, S. Sanna, and H. Pfnür. “Plasmon Spectroscopy: Robust Metallicity of Au Wires on Si(557) upon Oxidation.” Physical Review Materials 2, no. 6 (2018). https://doi.org/10.1103/physrevmaterials.2.066002.","bibtex":"@article{Mamiyev_Lichtenstein_Tegenkamp_Braun_Schmidt_Sanna_Pfnür_2018, title={Plasmon spectroscopy: Robust metallicity of Au wires on Si(557) upon oxidation}, volume={2}, DOI={10.1103/physrevmaterials.2.066002}, number={6}, journal={Physical Review Materials}, author={Mamiyev, Z. and Lichtenstein, T. and Tegenkamp, C. and Braun, Christian and Schmidt, Wolf Gero and Sanna, S. and Pfnür, H.}, year={2018} }","mla":"Mamiyev, Z., et al. “Plasmon Spectroscopy: Robust Metallicity of Au Wires on Si(557) upon Oxidation.” Physical Review Materials, vol. 2, no. 6, 2018, doi:10.1103/physrevmaterials.2.066002.","short":"Z. Mamiyev, T. Lichtenstein, C. Tegenkamp, C. Braun, W.G. Schmidt, S. Sanna, H. Pfnür, Physical Review Materials 2 (2018).","ieee":"Z. Mamiyev et al., “Plasmon spectroscopy: Robust metallicity of Au wires on Si(557) upon oxidation,” Physical Review Materials, vol. 2, no. 6, 2018, doi: 10.1103/physrevmaterials.2.066002."},"type":"journal_article","year":"2018","title":"Plasmon spectroscopy: Robust metallicity of Au wires on Si(557) upon oxidation","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"}],"project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"},{"_id":"52","name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"publication_status":"published","publication_identifier":{"issn":["2475-9953"]},"date_updated":"2023-04-20T14:25:07Z","doi":"10.1103/physrevmaterials.2.066002","language":[{"iso":"eng"}]},{"publication":"Physical Review Materials","publisher":"American Physical Society (APS)","author":[{"id":"22501","last_name":"Rüsing","orcid":"0000-0003-4682-4577","full_name":"Rüsing, Michael","first_name":"Michael"},{"full_name":"Neufeld, Sergej","first_name":"Sergej","id":"23261","last_name":"Neufeld"},{"last_name":"Brockmeier","id":"44807","first_name":"Julian","full_name":"Brockmeier, Julian"},{"full_name":"Eigner, Christof","orcid":"https://orcid.org/0000-0002-5693-3083","first_name":"Christof","id":"13244","last_name":"Eigner"},{"last_name":"Mackwitz","first_name":"P.","full_name":"Mackwitz, P."},{"full_name":"Spychala, K.","first_name":"K.","last_name":"Spychala"},{"first_name":"Christine","full_name":"Silberhorn, Christine","last_name":"Silberhorn","id":"26263"},{"last_name":"Schmidt","id":"468","first_name":"Wolf Gero","full_name":"Schmidt, Wolf Gero","orcid":"0000-0002-2717-5076"},{"first_name":"Gerhard","full_name":"Berth, Gerhard","last_name":"Berth","id":"53"},{"full_name":"Zrenner, Artur","orcid":"0000-0002-5190-0944","first_name":"Artur","id":"606","last_name":"Zrenner"},{"last_name":"Sanna","full_name":"Sanna, S.","first_name":"S."}],"date_created":"2018-10-18T08:50:47Z","status":"public","volume":2,"abstract":[{"lang":"eng","text":"In recent years, Raman spectroscopy has been used to visualize and analyze ferroelectric domain structures.\r\nThe technique makes use of the fact that the intensity or frequency of certain phonons is strongly influenced\r\nby the presence of domain walls. Although the method is used frequently, the underlying mechanism responsible\r\nfor the changes in the spectra is not fully understood. This inhibits deeper analysis of domain structures based\r\non this method. Two different models have been proposed. However, neither model completely explains all\r\nobservations. In this work, we have systematically investigated domain walls in different scattering geometries\r\nwith Raman spectroscopy in the common ferroelectric materials used in integrated optics, i.e., KTiOPO4,\r\nLiNbO3, and LiTaO3. Based on the two models, we can demonstrate that the observed contrast for domain\r\nwalls is in fact based on two different effects. We can identify on the one hand microscopic changes at the\r\ndomain wall, e.g., strain and electric fields, and on the other hand a macroscopic change of selection rules at the\r\ndomain wall. While the macroscopic relaxation of selection rules can be explained by the directional dispersion\r\nof the phonons in agreement with previous propositions, the microscopic changes can be explained qualitatively\r\nin terms of a simplified atomistic model."}],"article_type":"original","user_id":"22501","year":"2018","citation":{"bibtex":"@article{Rüsing_Neufeld_Brockmeier_Eigner_Mackwitz_Spychala_Silberhorn_Schmidt_Berth_Zrenner_et al._2018, title={Imaging of 180∘ ferroelectric domain walls in uniaxial ferroelectrics by confocal Raman spectroscopy: Unraveling the contrast mechanism}, volume={2}, DOI={10.1103/physrevmaterials.2.103801}, number={10}, journal={Physical Review Materials}, publisher={American Physical Society (APS)}, author={Rüsing, Michael and Neufeld, Sergej and Brockmeier, Julian and Eigner, Christof and Mackwitz, P. and Spychala, K. and Silberhorn, Christine and Schmidt, Wolf Gero and Berth, Gerhard and Zrenner, Artur and et al.}, year={2018} }","mla":"Rüsing, Michael, et al. “Imaging of 180∘ Ferroelectric Domain Walls in Uniaxial Ferroelectrics by Confocal Raman Spectroscopy: Unraveling the Contrast Mechanism.” Physical Review Materials, vol. 2, no. 10, American Physical Society (APS), 2018, doi:10.1103/physrevmaterials.2.103801.","chicago":"Rüsing, Michael, Sergej Neufeld, Julian Brockmeier, Christof Eigner, P. Mackwitz, K. Spychala, Christine Silberhorn, et al. “Imaging of 180∘ Ferroelectric Domain Walls in Uniaxial Ferroelectrics by Confocal Raman Spectroscopy: Unraveling the Contrast Mechanism.” Physical Review Materials 2, no. 10 (2018). https://doi.org/10.1103/physrevmaterials.2.103801.","apa":"Rüsing, M., Neufeld, S., Brockmeier, J., Eigner, C., Mackwitz, P., Spychala, K., Silberhorn, C., Schmidt, W. G., Berth, G., Zrenner, A., & Sanna, S. (2018). Imaging of 180∘ ferroelectric domain walls in uniaxial ferroelectrics by confocal Raman spectroscopy: Unraveling the contrast mechanism. Physical Review Materials, 2(10). https://doi.org/10.1103/physrevmaterials.2.103801","ama":"Rüsing M, Neufeld S, Brockmeier J, et al. Imaging of 180∘ ferroelectric domain walls in uniaxial ferroelectrics by confocal Raman spectroscopy: Unraveling the contrast mechanism. Physical Review Materials. 2018;2(10). doi:10.1103/physrevmaterials.2.103801","ieee":"M. Rüsing et al., “Imaging of 180∘ ferroelectric domain walls in uniaxial ferroelectrics by confocal Raman spectroscopy: Unraveling the contrast mechanism,” Physical Review Materials, vol. 2, no. 10, 2018, doi: 10.1103/physrevmaterials.2.103801.","short":"M. Rüsing, S. Neufeld, J. Brockmeier, C. Eigner, P. Mackwitz, K. Spychala, C. Silberhorn, W.G. Schmidt, G. Berth, A. Zrenner, S. Sanna, Physical Review Materials 2 (2018)."},"type":"journal_article","_id":"4769","intvolume":" 2","issue":"10","department":[{"_id":"15"},{"_id":"230"},{"_id":"35"},{"_id":"288"}],"project":[{"grant_number":"231447078","name":"TRR 142","_id":"53"},{"_id":"55","name":"TRR 142 - Project Area B"},{"_id":"69","name":"TRR 142 - Subproject B4","grant_number":"231447078"},{"_id":"70","name":"TRR 142 - Subproject B5","grant_number":"231447078"}],"publication_status":"published","publication_identifier":{"issn":["2475-9953"]},"title":"Imaging of 180∘ ferroelectric domain walls in uniaxial ferroelectrics by confocal Raman spectroscopy: Unraveling the contrast mechanism","language":[{"iso":"eng"}],"date_updated":"2023-10-11T09:01:48Z","doi":"10.1103/physrevmaterials.2.103801"},{"author":[{"full_name":"Braun, Christian","orcid":"0000-0002-3224-2683","first_name":"Christian","id":"28675","last_name":"Braun"},{"last_name":"Hogan","full_name":"Hogan, Conor","first_name":"Conor"},{"last_name":"Chandola","first_name":"Sandhya","full_name":"Chandola, Sandhya"},{"last_name":"Esser","full_name":"Esser, Norbert","first_name":"Norbert"},{"last_name":"Sanna","first_name":"Simone","full_name":"Sanna, Simone"},{"id":"468","last_name":"Schmidt","orcid":"0000-0002-2717-5076","full_name":"Schmidt, Wolf Gero","first_name":"Wolf Gero"}],"publication":"Physical Review Materials","status":"public","date_created":"2019-09-20T11:48:15Z","volume":1,"user_id":"16199","funded_apc":"1","year":"2017","citation":{"chicago":"Braun, Christian, Conor Hogan, Sandhya Chandola, Norbert Esser, Simone Sanna, and Wolf Gero Schmidt. “Si(775)-Au Atomic Chains: Geometry, Optical Properties, and Spin Order.” Physical Review Materials 1, no. 5 (2017). https://doi.org/10.1103/physrevmaterials.1.055002.","ama":"Braun C, Hogan C, Chandola S, Esser N, Sanna S, Schmidt WG. Si(775)-Au atomic chains: Geometry, optical properties, and spin order. Physical Review Materials. 2017;1(5). doi:10.1103/physrevmaterials.1.055002","apa":"Braun, C., Hogan, C., Chandola, S., Esser, N., Sanna, S., & Schmidt, W. G. (2017). Si(775)-Au atomic chains: Geometry, optical properties, and spin order. Physical Review Materials, 1(5). https://doi.org/10.1103/physrevmaterials.1.055002","bibtex":"@article{Braun_Hogan_Chandola_Esser_Sanna_Schmidt_2017, title={Si(775)-Au atomic chains: Geometry, optical properties, and spin order}, volume={1}, DOI={10.1103/physrevmaterials.1.055002}, number={5}, journal={Physical Review Materials}, author={Braun, Christian and Hogan, Conor and Chandola, Sandhya and Esser, Norbert and Sanna, Simone and Schmidt, Wolf Gero}, year={2017} }","mla":"Braun, Christian, et al. “Si(775)-Au Atomic Chains: Geometry, Optical Properties, and Spin Order.” Physical Review Materials, vol. 1, no. 5, 2017, doi:10.1103/physrevmaterials.1.055002.","short":"C. Braun, C. Hogan, S. Chandola, N. Esser, S. Sanna, W.G. Schmidt, Physical Review Materials 1 (2017).","ieee":"C. Braun, C. Hogan, S. Chandola, N. Esser, S. Sanna, and W. G. Schmidt, “Si(775)-Au atomic chains: Geometry, optical properties, and spin order,” Physical Review Materials, vol. 1, no. 5, 2017."},"type":"journal_article","intvolume":" 1","_id":"13415","issue":"5","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"}],"project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"publication_identifier":{"issn":["2475-9953"]},"publication_status":"published","title":"Si(775)-Au atomic chains: Geometry, optical properties, and spin order","language":[{"iso":"eng"}],"date_updated":"2022-01-06T06:51:35Z","doi":"10.1103/physrevmaterials.1.055002"},{"isi":"1","department":[{"_id":"295"},{"_id":"296"},{"_id":"230"},{"_id":"429"}],"project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"},{"name":"TRR 142","_id":"53"},{"name":"TRR 142 - Project Area B","_id":"55"},{"_id":"69","name":"TRR 142 - Subproject B4"},{"name":"TRR 142 - Subproject B3","_id":"68"}],"publication_identifier":{"issn":["2475-9953"]},"publication_status":"published","external_id":{"isi":["000416562300001"]},"related_material":{"record":[{"relation":"other","id":"13410","status":"public"}]},"title":"Optical properties of titanium-doped lithium niobate from time-dependent density-functional theory","language":[{"iso":"eng"}],"date_updated":"2022-01-06T06:51:35Z","oa":"1","doi":"10.1103/PhysRevMaterials.1.034401","file":[{"access_level":"open_access","date_created":"2020-08-27T19:39:54Z","file_name":"PhysRevMaterials.1.034401.pdf","file_size":708075,"title":"Optical properties of titanium-doped lithium niobate from time-dependent density-functional theory","date_updated":"2020-08-30T14:36:11Z","content_type":"application/pdf","relation":"main_file","description":"© 2017 American Physical Society","creator":"schindlm","file_id":"18467"}],"file_date_updated":"2020-08-30T14:36:11Z","publication":"Physical Review Materials","author":[{"last_name":"Friedrich","full_name":"Friedrich, Michael","first_name":"Michael"},{"last_name":"Schmidt","id":"468","first_name":"Wolf Gero","orcid":"0000-0002-2717-5076","full_name":"Schmidt, Wolf Gero"},{"first_name":"Arno","orcid":"0000-0002-4855-071X","full_name":"Schindlmayr, Arno","last_name":"Schindlmayr","id":"458"},{"full_name":"Sanna, Simone","first_name":"Simone","last_name":"Sanna"}],"publisher":"American Physical Society","quality_controlled":"1","date_created":"2019-05-29T07:42:33Z","status":"public","has_accepted_license":"1","volume":1,"abstract":[{"lang":"eng","text":"The optical properties of pristine and titanium-doped LiNbO3 are modeled from first principles. The dielectric functions are calculated within time-dependent density-functional theory, and a model long-range contribution is employed for the exchange-correlation kernel in order to account for the electron-hole binding. Our study focuses on the influence of substitutional titanium atoms on lithium sites. We show that an increasing titanium concentration enhances the values of the refractive indices and the reflectivity."}],"article_type":"original","user_id":"458","ddc":["530"],"type":"journal_article","year":"2017","citation":{"bibtex":"@article{Friedrich_Schmidt_Schindlmayr_Sanna_2017, title={Optical properties of titanium-doped lithium niobate from time-dependent density-functional theory}, volume={1}, DOI={10.1103/PhysRevMaterials.1.034401}, number={3034401}, journal={Physical Review Materials}, publisher={American Physical Society}, author={Friedrich, Michael and Schmidt, Wolf Gero and Schindlmayr, Arno and Sanna, Simone}, year={2017} }","mla":"Friedrich, Michael, et al. “Optical Properties of Titanium-Doped Lithium Niobate from Time-Dependent Density-Functional Theory.” Physical Review Materials, vol. 1, no. 3, 034401, American Physical Society, 2017, doi:10.1103/PhysRevMaterials.1.034401.","ama":"Friedrich M, Schmidt WG, Schindlmayr A, Sanna S. Optical properties of titanium-doped lithium niobate from time-dependent density-functional theory. Physical Review Materials. 2017;1(3). doi:10.1103/PhysRevMaterials.1.034401","apa":"Friedrich, M., Schmidt, W. G., Schindlmayr, A., & Sanna, S. (2017). Optical properties of titanium-doped lithium niobate from time-dependent density-functional theory. Physical Review Materials, 1(3). https://doi.org/10.1103/PhysRevMaterials.1.034401","chicago":"Friedrich, Michael, Wolf Gero Schmidt, Arno Schindlmayr, and Simone Sanna. “Optical Properties of Titanium-Doped Lithium Niobate from Time-Dependent Density-Functional Theory.” Physical Review Materials 1, no. 3 (2017). https://doi.org/10.1103/PhysRevMaterials.1.034401.","ieee":"M. Friedrich, W. G. Schmidt, A. Schindlmayr, and S. Sanna, “Optical properties of titanium-doped lithium niobate from time-dependent density-functional theory,” Physical Review Materials, vol. 1, no. 3, 2017.","short":"M. Friedrich, W.G. Schmidt, A. Schindlmayr, S. Sanna, Physical Review Materials 1 (2017)."},"intvolume":" 1","_id":"10021","issue":"3","article_number":"034401"}]