[{"type":"journal_article","publication":"European Journal of Organic Chemistry","status":"public","_id":"38008","user_id":"89271","department":[{"_id":"35"},{"_id":"2"},{"_id":"657"}],"keyword":["T3"],"language":[{"iso":"eng"}],"extern":"1","publication_status":"published","publication_identifier":{"issn":["1434-193X"]},"issue":"36","year":"2010","citation":{"apa":"Werner, T., &#38; Koch, J. (2010). Sodium Hydride Catalyzed Tishchenko Reaction. <i>European Journal of Organic Chemistry</i>, <i>2010</i>(36), 6904–6907. <a href=\"https://doi.org/10.1002/ejoc.201001294\">https://doi.org/10.1002/ejoc.201001294</a>","short":"T. Werner, J. Koch, European Journal of Organic Chemistry 2010 (2010) 6904–6907.","bibtex":"@article{Werner_Koch_2010, title={Sodium Hydride Catalyzed Tishchenko Reaction}, volume={2010}, DOI={<a href=\"https://doi.org/10.1002/ejoc.201001294\">10.1002/ejoc.201001294</a>}, number={36}, journal={European Journal of Organic Chemistry}, publisher={Wiley}, author={Werner, Thomas and Koch, Juliane}, year={2010}, pages={6904–6907} }","mla":"Werner, Thomas, and Juliane Koch. “Sodium Hydride Catalyzed Tishchenko Reaction.” <i>European Journal of Organic Chemistry</i>, vol. 2010, no. 36, Wiley, 2010, pp. 6904–07, doi:<a href=\"https://doi.org/10.1002/ejoc.201001294\">10.1002/ejoc.201001294</a>.","ama":"Werner T, Koch J. Sodium Hydride Catalyzed Tishchenko Reaction. <i>European Journal of Organic Chemistry</i>. 2010;2010(36):6904-6907. doi:<a href=\"https://doi.org/10.1002/ejoc.201001294\">10.1002/ejoc.201001294</a>","ieee":"T. Werner and J. Koch, “Sodium Hydride Catalyzed Tishchenko Reaction,” <i>European Journal of Organic Chemistry</i>, vol. 2010, no. 36, pp. 6904–6907, 2010, doi: <a href=\"https://doi.org/10.1002/ejoc.201001294\">10.1002/ejoc.201001294</a>.","chicago":"Werner, Thomas, and Juliane Koch. “Sodium Hydride Catalyzed Tishchenko Reaction.” <i>European Journal of Organic Chemistry</i> 2010, no. 36 (2010): 6904–7. <a href=\"https://doi.org/10.1002/ejoc.201001294\">https://doi.org/10.1002/ejoc.201001294</a>."},"page":"6904-6907","intvolume":"      2010","publisher":"Wiley","date_updated":"2025-11-10T09:41:27Z","author":[{"first_name":"Thomas","full_name":"Werner, Thomas","id":"89271","orcid":"0000-0001-9025-3244","last_name":"Werner"},{"last_name":"Koch","full_name":"Koch, Juliane","first_name":"Juliane"}],"date_created":"2023-01-22T21:12:03Z","volume":2010,"title":"Sodium Hydride Catalyzed Tishchenko Reaction","doi":"10.1002/ejoc.201001294"},{"citation":{"chicago":"Ostwald, Richard, T. Bartel, and A. Menzel. “A Computational Micro‐sphere Model Applied to the Simulation of Phase‐transformations.” <i>ZAMM - Journal of Applied Mathematics and Mechanics / Zeitschrift Für Angewandte Mathematik Und Mechanik</i> 90, no. 7–8 (2010): 605–22. <a href=\"https://doi.org/10.1002/zamm.200900390\">https://doi.org/10.1002/zamm.200900390</a>.","ieee":"R. Ostwald, T. Bartel, and A. Menzel, “A computational micro‐sphere model applied to the simulation of phase‐transformations,” <i>ZAMM - Journal of Applied Mathematics and Mechanics / Zeitschrift für Angewandte Mathematik und Mechanik</i>, vol. 90, no. 7–8, pp. 605–622, 2010, doi: <a href=\"https://doi.org/10.1002/zamm.200900390\">10.1002/zamm.200900390</a>.","ama":"Ostwald R, Bartel T, Menzel A. A computational micro‐sphere model applied to the simulation of phase‐transformations. <i>ZAMM - Journal of Applied Mathematics and Mechanics / Zeitschrift für Angewandte Mathematik und Mechanik</i>. 2010;90(7-8):605-622. doi:<a href=\"https://doi.org/10.1002/zamm.200900390\">10.1002/zamm.200900390</a>","apa":"Ostwald, R., Bartel, T., &#38; Menzel, A. (2010). A computational micro‐sphere model applied to the simulation of phase‐transformations. <i>ZAMM - Journal of Applied Mathematics and Mechanics / Zeitschrift Für Angewandte Mathematik Und Mechanik</i>, <i>90</i>(7–8), 605–622. <a href=\"https://doi.org/10.1002/zamm.200900390\">https://doi.org/10.1002/zamm.200900390</a>","mla":"Ostwald, Richard, et al. “A Computational Micro‐sphere Model Applied to the Simulation of Phase‐transformations.” <i>ZAMM - Journal of Applied Mathematics and Mechanics / Zeitschrift Für Angewandte Mathematik Und Mechanik</i>, vol. 90, no. 7–8, Wiley, 2010, pp. 605–22, doi:<a href=\"https://doi.org/10.1002/zamm.200900390\">10.1002/zamm.200900390</a>.","bibtex":"@article{Ostwald_Bartel_Menzel_2010, title={A computational micro‐sphere model applied to the simulation of phase‐transformations}, volume={90}, DOI={<a href=\"https://doi.org/10.1002/zamm.200900390\">10.1002/zamm.200900390</a>}, number={7–8}, journal={ZAMM - Journal of Applied Mathematics and Mechanics / Zeitschrift für Angewandte Mathematik und Mechanik}, publisher={Wiley}, author={Ostwald, Richard and Bartel, T. and Menzel, A.}, year={2010}, pages={605–622} }","short":"R. Ostwald, T. Bartel, A. Menzel, ZAMM - Journal of Applied Mathematics and Mechanics / Zeitschrift Für Angewandte Mathematik Und Mechanik 90 (2010) 605–622."},"page":"605-622","intvolume":"        90","publication_status":"published","publication_identifier":{"issn":["0044-2267","1521-4001"]},"doi":"10.1002/zamm.200900390","author":[{"first_name":"Richard","last_name":"Ostwald","orcid":"0000-0003-2147-8444","id":"106876","full_name":"Ostwald, Richard"},{"full_name":"Bartel, T.","last_name":"Bartel","first_name":"T."},{"first_name":"A.","last_name":"Menzel","full_name":"Menzel, A."}],"volume":90,"date_updated":"2025-12-03T13:22:16Z","status":"public","type":"journal_article","user_id":"85414","department":[{"_id":"952"},{"_id":"321"}],"_id":"62791","year":"2010","issue":"7-8","quality_controlled":"1","title":"A computational micro‐sphere model applied to the simulation of phase‐transformations","date_created":"2025-12-03T13:21:33Z","publisher":"Wiley","abstract":[{"text":"<jats:title>Abstract</jats:title><jats:p>We present an efficient model for the simulation of polycrystalline materials undergoing solid to solid phase transformations. As a basis, we use a one‐dimensional, thermodynamically consistent phase‐transformation model. This model is embedded into a micro‐sphere formulation in order to simulate three‐dimensional boundary value problems. To solve the underlying evolution equations, we use a newly developed explicit integration scheme which could be proved to be unconditionally A‐stable. Besides the investigation of homogeneous deformation states, representative finite element examples are discussed. It is shown that the model nicely reflects the overall behaviour.</jats:p>","lang":"eng"}],"publication":"ZAMM - Journal of Applied Mathematics and Mechanics / Zeitschrift für Angewandte Mathematik und Mechanik","language":[{"iso":"eng"}]},{"title":"A micro‐sphere approach applied to the modelling of phase‐transformations","doi":"10.1002/pamm.201010150","publisher":"Wiley","date_updated":"2025-12-03T13:23:28Z","author":[{"last_name":"Ostwald","orcid":"0000-0003-2147-8444","id":"106876","full_name":"Ostwald, Richard","first_name":"Richard"},{"first_name":"Thorsten","last_name":"Bartel","full_name":"Bartel, Thorsten"},{"first_name":"Andreas","full_name":"Menzel, Andreas","last_name":"Menzel"}],"date_created":"2025-12-03T13:22:46Z","volume":10,"year":"2010","citation":{"ama":"Ostwald R, Bartel T, Menzel A. A micro‐sphere approach applied to the modelling of phase‐transformations. <i>PAMM</i>. 2010;10(1):315-316. doi:<a href=\"https://doi.org/10.1002/pamm.201010150\">10.1002/pamm.201010150</a>","ieee":"R. Ostwald, T. Bartel, and A. Menzel, “A micro‐sphere approach applied to the modelling of phase‐transformations,” <i>PAMM</i>, vol. 10, no. 1, pp. 315–316, 2010, doi: <a href=\"https://doi.org/10.1002/pamm.201010150\">10.1002/pamm.201010150</a>.","chicago":"Ostwald, Richard, Thorsten Bartel, and Andreas Menzel. “A Micro‐sphere Approach Applied to the Modelling of Phase‐transformations.” <i>PAMM</i> 10, no. 1 (2010): 315–16. <a href=\"https://doi.org/10.1002/pamm.201010150\">https://doi.org/10.1002/pamm.201010150</a>.","short":"R. Ostwald, T. Bartel, A. Menzel, PAMM 10 (2010) 315–316.","bibtex":"@article{Ostwald_Bartel_Menzel_2010, title={A micro‐sphere approach applied to the modelling of phase‐transformations}, volume={10}, DOI={<a href=\"https://doi.org/10.1002/pamm.201010150\">10.1002/pamm.201010150</a>}, number={1}, journal={PAMM}, publisher={Wiley}, author={Ostwald, Richard and Bartel, Thorsten and Menzel, Andreas}, year={2010}, pages={315–316} }","mla":"Ostwald, Richard, et al. “A Micro‐sphere Approach Applied to the Modelling of Phase‐transformations.” <i>PAMM</i>, vol. 10, no. 1, Wiley, 2010, pp. 315–16, doi:<a href=\"https://doi.org/10.1002/pamm.201010150\">10.1002/pamm.201010150</a>.","apa":"Ostwald, R., Bartel, T., &#38; Menzel, A. (2010). A micro‐sphere approach applied to the modelling of phase‐transformations. <i>PAMM</i>, <i>10</i>(1), 315–316. <a href=\"https://doi.org/10.1002/pamm.201010150\">https://doi.org/10.1002/pamm.201010150</a>"},"page":"315-316","intvolume":"        10","publication_status":"published","publication_identifier":{"issn":["1617-7061","1617-7061"]},"quality_controlled":"1","issue":"1","language":[{"iso":"eng"}],"_id":"62792","user_id":"85414","department":[{"_id":"952"},{"_id":"321"}],"abstract":[{"text":"<jats:title>Abstract</jats:title><jats:p>We present an efficient model for the simulation of phase‐transformations in polycrystalline materials. As a basis, we use a thermodynamically consistent, one‐dimensional phase‐transformation model, which is embedded into a micro‐sphere formulation in order to be able to simulate three‐dimensional boundary value problems. The underlying evolution equations are solved efficiently using a newly developed explicit integration scheme that has been proved to be unconditionally A‐stable. A numerical example by means of a deformation in simple shear is additionally provided in this contribution. (© 2010 Wiley‐VCH Verlag GmbH &amp; Co. KGaA, Weinheim)</jats:p>","lang":"eng"}],"status":"public","type":"journal_article","publication":"PAMM"},{"year":"2010","intvolume":"         7","page":"133-136","citation":{"ama":"Wippermann S, Schmidt WG, Bechstedt F, et al. Optical anisotropy of Si(111)-(4 × 1)/(8 × 2)-In nanowires calculated fromfirst-principles. <i>physica status solidi (c)</i>. 2010;7(2):133-136. doi:<a href=\"https://doi.org/10.1002/pssc.200982413\">10.1002/pssc.200982413</a>","chicago":"Wippermann, S., Wolf Gero Schmidt, F. Bechstedt, S. Chandola, K. Hinrichs, M. Gensch, N. Esser, K. Fleischer, and J. F. McGilp. “Optical Anisotropy of Si(111)-(4 × 1)/(8 × 2)-In Nanowires Calculated Fromfirst-Principles.” <i>Physica Status Solidi (c)</i> 7, no. 2 (2010): 133–36. <a href=\"https://doi.org/10.1002/pssc.200982413\">https://doi.org/10.1002/pssc.200982413</a>.","ieee":"S. Wippermann <i>et al.</i>, “Optical anisotropy of Si(111)-(4 × 1)/(8 × 2)-In nanowires calculated fromfirst-principles,” <i>physica status solidi (c)</i>, vol. 7, no. 2, pp. 133–136, 2010, doi: <a href=\"https://doi.org/10.1002/pssc.200982413\">10.1002/pssc.200982413</a>.","apa":"Wippermann, S., Schmidt, W. G., Bechstedt, F., Chandola, S., Hinrichs, K., Gensch, M., Esser, N., Fleischer, K., &#38; McGilp, J. F. (2010). Optical anisotropy of Si(111)-(4 × 1)/(8 × 2)-In nanowires calculated fromfirst-principles. <i>Physica Status Solidi (c)</i>, <i>7</i>(2), 133–136. <a href=\"https://doi.org/10.1002/pssc.200982413\">https://doi.org/10.1002/pssc.200982413</a>","mla":"Wippermann, S., et al. “Optical Anisotropy of Si(111)-(4 × 1)/(8 × 2)-In Nanowires Calculated Fromfirst-Principles.” <i>Physica Status Solidi (c)</i>, vol. 7, no. 2, 2010, pp. 133–36, doi:<a href=\"https://doi.org/10.1002/pssc.200982413\">10.1002/pssc.200982413</a>.","bibtex":"@article{Wippermann_Schmidt_Bechstedt_Chandola_Hinrichs_Gensch_Esser_Fleischer_McGilp_2010, title={Optical anisotropy of Si(111)-(4 × 1)/(8 × 2)-In nanowires calculated fromfirst-principles}, volume={7}, DOI={<a href=\"https://doi.org/10.1002/pssc.200982413\">10.1002/pssc.200982413</a>}, number={2}, journal={physica status solidi (c)}, author={Wippermann, S. and Schmidt, Wolf Gero and Bechstedt, F. and Chandola, S. and Hinrichs, K. and Gensch, M. and Esser, N. and Fleischer, K. and McGilp, J. F.}, year={2010}, pages={133–136} }","short":"S. Wippermann, W.G. Schmidt, F. Bechstedt, S. Chandola, K. Hinrichs, M. Gensch, N. Esser, K. Fleischer, J.F. McGilp, Physica Status Solidi (c) 7 (2010) 133–136."},"publication_identifier":{"issn":["1862-6351","1610-1642"]},"publication_status":"published","issue":"2","title":"Optical anisotropy of Si(111)-(4 × 1)/(8 × 2)-In nanowires calculated fromfirst-principles","doi":"10.1002/pssc.200982413","date_updated":"2025-12-05T12:45:21Z","volume":7,"date_created":"2019-10-01T14:34:59Z","author":[{"last_name":"Wippermann","full_name":"Wippermann, S.","first_name":"S."},{"first_name":"Wolf Gero","last_name":"Schmidt","orcid":"0000-0002-2717-5076","full_name":"Schmidt, Wolf Gero","id":"468"},{"last_name":"Bechstedt","full_name":"Bechstedt, F.","first_name":"F."},{"last_name":"Chandola","full_name":"Chandola, S.","first_name":"S."},{"full_name":"Hinrichs, K.","last_name":"Hinrichs","first_name":"K."},{"first_name":"M.","last_name":"Gensch","full_name":"Gensch, M."},{"last_name":"Esser","full_name":"Esser, N.","first_name":"N."},{"last_name":"Fleischer","full_name":"Fleischer, K.","first_name":"K."},{"first_name":"J. F.","last_name":"McGilp","full_name":"McGilp, J. F."}],"status":"public","publication":"physica status solidi (c)","type":"journal_article","language":[{"iso":"eng"}],"_id":"13581","project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"27"}],"user_id":"16199"},{"title":"Do we know the band gap of lithium niobate?","date_created":"2019-10-01T09:18:29Z","publisher":"Wiley-VCH","year":"2010","issue":"2","quality_controlled":"1","language":[{"iso":"eng"}],"ddc":["530"],"external_id":{"isi":["000284313000057"]},"file":[{"content_type":"application/pdf","creator":"schindlm","file_size":212674,"file_name":"pssc.200982473.pdf","relation":"main_file","date_updated":"2020-08-30T15:07:56Z","date_created":"2020-08-28T14:39:40Z","title":"Do we know the band gap of lithium niobate?","description":"© 2010 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim","access_level":"closed","file_id":"18583"}],"abstract":[{"text":"Given the vast range of lithium niobate (LiNbO3) applications, the knowledge about its electronic and optical properties is surprisingly limited. The direct band gap of 3.7 eV for the ferroelectric phase – frequently cited in the literature – is concluded from optical experiments. Recent theoretical investigations show that the electronic band‐structure and optical properties are very sensitive to quasiparticle and electron‐hole attraction effects, which were included using the GW approximation for the electron self‐energy and the Bethe‐Salpeter equation respectively, both based on a model screening function. The calculated fundamental gap was found to be at least 1 eV larger than the experimental value. To resolve this discrepancy we performed first‐principles GW calculations for lithium niobate using the full‐potential linearized augmented plane‐wave (FLAPW) method. Thereby we use the parameter‐free random phase approximation for a realistic description of the nonlocal and energydependent screening. This leads to a band gap of about 4.7 (4.2) eV for ferro(para)‐electric lithium niobate.","lang":"eng"}],"publication":"Physica Status Solidi C","doi":"10.1002/pssc.200982473","conference":{"start_date":"2009-07-05","name":"12th International Conference on the Formation of Semiconductor Interfaces","location":"Weimar","end_date":"2009-07-10"},"volume":7,"author":[{"full_name":"Thierfelder, Christian","last_name":"Thierfelder","first_name":"Christian"},{"full_name":"Sanna, Simone","last_name":"Sanna","first_name":"Simone"},{"full_name":"Schindlmayr, Arno","id":"458","last_name":"Schindlmayr","orcid":"0000-0002-4855-071X","first_name":"Arno"},{"first_name":"Wolf Gero","last_name":"Schmidt","orcid":"0000-0002-2717-5076","id":"468","full_name":"Schmidt, Wolf Gero"}],"date_updated":"2025-12-05T13:01:45Z","page":"362-365","intvolume":"         7","citation":{"bibtex":"@article{Thierfelder_Sanna_Schindlmayr_Schmidt_2010, title={Do we know the band gap of lithium niobate?}, volume={7}, DOI={<a href=\"https://doi.org/10.1002/pssc.200982473\">10.1002/pssc.200982473</a>}, number={2}, journal={Physica Status Solidi C}, publisher={Wiley-VCH}, author={Thierfelder, Christian and Sanna, Simone and Schindlmayr, Arno and Schmidt, Wolf Gero}, year={2010}, pages={362–365} }","short":"C. Thierfelder, S. Sanna, A. Schindlmayr, W.G. Schmidt, Physica Status Solidi C 7 (2010) 362–365.","mla":"Thierfelder, Christian, et al. “Do We Know the Band Gap of Lithium Niobate?” <i>Physica Status Solidi C</i>, vol. 7, no. 2, Wiley-VCH, 2010, pp. 362–65, doi:<a href=\"https://doi.org/10.1002/pssc.200982473\">10.1002/pssc.200982473</a>.","apa":"Thierfelder, C., Sanna, S., Schindlmayr, A., &#38; Schmidt, W. G. (2010). Do we know the band gap of lithium niobate? <i>Physica Status Solidi C</i>, <i>7</i>(2), 362–365. <a href=\"https://doi.org/10.1002/pssc.200982473\">https://doi.org/10.1002/pssc.200982473</a>","chicago":"Thierfelder, Christian, Simone Sanna, Arno Schindlmayr, and Wolf Gero Schmidt. “Do We Know the Band Gap of Lithium Niobate?” <i>Physica Status Solidi C</i> 7, no. 2 (2010): 362–65. <a href=\"https://doi.org/10.1002/pssc.200982473\">https://doi.org/10.1002/pssc.200982473</a>.","ieee":"C. Thierfelder, S. Sanna, A. Schindlmayr, and W. G. Schmidt, “Do we know the band gap of lithium niobate?,” <i>Physica Status Solidi C</i>, vol. 7, no. 2, pp. 362–365, 2010, doi: <a href=\"https://doi.org/10.1002/pssc.200982473\">10.1002/pssc.200982473</a>.","ama":"Thierfelder C, Sanna S, Schindlmayr A, Schmidt WG. Do we know the band gap of lithium niobate? <i>Physica Status Solidi C</i>. 2010;7(2):362-365. doi:<a href=\"https://doi.org/10.1002/pssc.200982473\">10.1002/pssc.200982473</a>"},"has_accepted_license":"1","publication_identifier":{"issn":["1862-6351"],"eissn":["1610-1642"]},"publication_status":"published","file_date_updated":"2020-08-30T15:07:56Z","article_type":"original","isi":"1","department":[{"_id":"295"},{"_id":"296"},{"_id":"15"},{"_id":"35"},{"_id":"230"},{"_id":"27"},{"_id":"170"}],"user_id":"16199","_id":"13573","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"status":"public","type":"journal_article"},{"issue":"2","publication_identifier":{"issn":["1862-6351","1610-1642"]},"publication_status":"published","intvolume":"         7","page":"157-160","citation":{"apa":"Gerstmann, U., Rohrmüller, M., Mauri, F., &#38; Schmidt, W. G. (2010). Ab initiog-tensor calculation for paramagnetic surface states: hydrogen adsorption at Si surfaces. <i>Physica Status Solidi (c)</i>, <i>7</i>(2), 157–160. <a href=\"https://doi.org/10.1002/pssc.200982462\">https://doi.org/10.1002/pssc.200982462</a>","bibtex":"@article{Gerstmann_Rohrmüller_Mauri_Schmidt_2010, title={Ab initiog-tensor calculation for paramagnetic surface states: hydrogen adsorption at Si surfaces}, volume={7}, DOI={<a href=\"https://doi.org/10.1002/pssc.200982462\">10.1002/pssc.200982462</a>}, number={2}, journal={physica status solidi (c)}, author={Gerstmann, Uwe and Rohrmüller, M. and Mauri, F. and Schmidt, Wolf Gero}, year={2010}, pages={157–160} }","short":"U. Gerstmann, M. Rohrmüller, F. Mauri, W.G. Schmidt, Physica Status Solidi (c) 7 (2010) 157–160.","mla":"Gerstmann, Uwe, et al. “Ab Initiog-Tensor Calculation for Paramagnetic Surface States: Hydrogen Adsorption at Si Surfaces.” <i>Physica Status Solidi (c)</i>, vol. 7, no. 2, 2010, pp. 157–60, doi:<a href=\"https://doi.org/10.1002/pssc.200982462\">10.1002/pssc.200982462</a>.","chicago":"Gerstmann, Uwe, M. Rohrmüller, F. Mauri, and Wolf Gero Schmidt. “Ab Initiog-Tensor Calculation for Paramagnetic Surface States: Hydrogen Adsorption at Si Surfaces.” <i>Physica Status Solidi (c)</i> 7, no. 2 (2010): 157–60. <a href=\"https://doi.org/10.1002/pssc.200982462\">https://doi.org/10.1002/pssc.200982462</a>.","ieee":"U. Gerstmann, M. Rohrmüller, F. Mauri, and W. G. Schmidt, “Ab initiog-tensor calculation for paramagnetic surface states: hydrogen adsorption at Si surfaces,” <i>physica status solidi (c)</i>, vol. 7, no. 2, pp. 157–160, 2010, doi: <a href=\"https://doi.org/10.1002/pssc.200982462\">10.1002/pssc.200982462</a>.","ama":"Gerstmann U, Rohrmüller M, Mauri F, Schmidt WG. Ab initiog-tensor calculation for paramagnetic surface states: hydrogen adsorption at Si surfaces. <i>physica status solidi (c)</i>. 2010;7(2):157-160. doi:<a href=\"https://doi.org/10.1002/pssc.200982462\">10.1002/pssc.200982462</a>"},"year":"2010","volume":7,"author":[{"first_name":"Uwe","orcid":"0000-0002-4476-223X","last_name":"Gerstmann","full_name":"Gerstmann, Uwe","id":"171"},{"full_name":"Rohrmüller, M.","last_name":"Rohrmüller","first_name":"M."},{"full_name":"Mauri, F.","last_name":"Mauri","first_name":"F."},{"full_name":"Schmidt, Wolf Gero","id":"468","last_name":"Schmidt","orcid":"0000-0002-2717-5076","first_name":"Wolf Gero"}],"date_created":"2019-10-01T09:20:03Z","date_updated":"2025-12-05T12:45:54Z","doi":"10.1002/pssc.200982462","title":"Ab initiog-tensor calculation for paramagnetic surface states: hydrogen adsorption at Si surfaces","publication":"physica status solidi (c)","type":"journal_article","status":"public","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"790"},{"_id":"230"},{"_id":"27"}],"user_id":"16199","_id":"13574","project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"language":[{"iso":"eng"}]},{"title":"Manganese-hydrogen complexes inGa1−xMnxN","doi":"10.1103/physrevb.80.205205","date_updated":"2025-12-05T13:14:00Z","volume":80,"author":[{"first_name":"C.","last_name":"Bihler","full_name":"Bihler, C."},{"first_name":"Uwe","orcid":"0000-0002-4476-223X","last_name":"Gerstmann","id":"171","full_name":"Gerstmann, Uwe"},{"first_name":"M.","full_name":"Hoeb, M.","last_name":"Hoeb"},{"first_name":"T.","last_name":"Graf","full_name":"Graf, T."},{"last_name":"Gjukic","full_name":"Gjukic, M.","first_name":"M."},{"full_name":"Schmidt, Wolf Gero","id":"468","orcid":"0000-0002-2717-5076","last_name":"Schmidt","first_name":"Wolf Gero"},{"last_name":"Stutzmann","full_name":"Stutzmann, M.","first_name":"M."},{"first_name":"M. S.","full_name":"Brandt, M. S.","last_name":"Brandt"}],"date_created":"2019-10-09T09:00:28Z","year":"2010","intvolume":"        80","citation":{"chicago":"Bihler, C., Uwe Gerstmann, M. Hoeb, T. Graf, M. Gjukic, Wolf Gero Schmidt, M. Stutzmann, and M. S. Brandt. “Manganese-Hydrogen Complexes InGa1−xMnxN.” <i>Physical Review B</i> 80, no. 20 (2010). <a href=\"https://doi.org/10.1103/physrevb.80.205205\">https://doi.org/10.1103/physrevb.80.205205</a>.","ieee":"C. Bihler <i>et al.</i>, “Manganese-hydrogen complexes inGa1−xMnxN,” <i>Physical Review B</i>, vol. 80, no. 20, 2010, doi: <a href=\"https://doi.org/10.1103/physrevb.80.205205\">10.1103/physrevb.80.205205</a>.","ama":"Bihler C, Gerstmann U, Hoeb M, et al. Manganese-hydrogen complexes inGa1−xMnxN. <i>Physical Review B</i>. 2010;80(20). doi:<a href=\"https://doi.org/10.1103/physrevb.80.205205\">10.1103/physrevb.80.205205</a>","apa":"Bihler, C., Gerstmann, U., Hoeb, M., Graf, T., Gjukic, M., Schmidt, W. G., Stutzmann, M., &#38; Brandt, M. S. (2010). Manganese-hydrogen complexes inGa1−xMnxN. <i>Physical Review B</i>, <i>80</i>(20). <a href=\"https://doi.org/10.1103/physrevb.80.205205\">https://doi.org/10.1103/physrevb.80.205205</a>","short":"C. Bihler, U. Gerstmann, M. Hoeb, T. Graf, M. Gjukic, W.G. Schmidt, M. Stutzmann, M.S. Brandt, Physical Review B 80 (2010).","bibtex":"@article{Bihler_Gerstmann_Hoeb_Graf_Gjukic_Schmidt_Stutzmann_Brandt_2010, title={Manganese-hydrogen complexes inGa1−xMnxN}, volume={80}, DOI={<a href=\"https://doi.org/10.1103/physrevb.80.205205\">10.1103/physrevb.80.205205</a>}, number={20}, journal={Physical Review B}, author={Bihler, C. and Gerstmann, Uwe and Hoeb, M. and Graf, T. and Gjukic, M. and Schmidt, Wolf Gero and Stutzmann, M. and Brandt, M. S.}, year={2010} }","mla":"Bihler, C., et al. “Manganese-Hydrogen Complexes InGa1−xMnxN.” <i>Physical Review B</i>, vol. 80, no. 20, 2010, doi:<a href=\"https://doi.org/10.1103/physrevb.80.205205\">10.1103/physrevb.80.205205</a>."},"publication_identifier":{"issn":["1098-0121","1550-235X"]},"publication_status":"published","issue":"20","language":[{"iso":"eng"}],"_id":"13656","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"790"},{"_id":"35"},{"_id":"230"}],"user_id":"16199","status":"public","publication":"Physical Review B","type":"journal_article"},{"article_number":"245407","language":[{"iso":"eng"}],"_id":"62930","user_id":"16199","department":[{"_id":"15"},{"_id":"170"},{"_id":"297"},{"_id":"35"},{"_id":"230"}],"status":"public","type":"journal_article","publication":"Physical Review B","title":"Dynamics of photoexcitation and stimulated optical emission in conjugated polymers: A multiscale quantum-chemistry and Maxwell-Bloch-equations approach","doi":"10.1103/physrevb.81.245407","date_updated":"2025-12-05T15:09:27Z","publisher":"American Physical Society (APS)","date_created":"2025-12-05T15:08:55Z","author":[{"first_name":"Stefan","full_name":"Schumacher, Stefan","id":"27271","orcid":"0000-0003-4042-4951","last_name":"Schumacher"},{"first_name":"Ian","last_name":"Galbraith","full_name":"Galbraith, Ian"},{"last_name":"Ruseckas","full_name":"Ruseckas, Arvydas","first_name":"Arvydas"},{"first_name":"Graham A.","last_name":"Turnbull","full_name":"Turnbull, Graham A."},{"first_name":"Ifor D. W.","last_name":"Samuel","full_name":"Samuel, Ifor D. W."}],"volume":81,"year":"2010","citation":{"ama":"Schumacher S, Galbraith I, Ruseckas A, Turnbull GA, Samuel IDW. Dynamics of photoexcitation and stimulated optical emission in conjugated polymers: A multiscale quantum-chemistry and Maxwell-Bloch-equations approach. <i>Physical Review B</i>. 2010;81(24). doi:<a href=\"https://doi.org/10.1103/physrevb.81.245407\">10.1103/physrevb.81.245407</a>","ieee":"S. Schumacher, I. Galbraith, A. Ruseckas, G. A. Turnbull, and I. D. W. Samuel, “Dynamics of photoexcitation and stimulated optical emission in conjugated polymers: A multiscale quantum-chemistry and Maxwell-Bloch-equations approach,” <i>Physical Review B</i>, vol. 81, no. 24, Art. no. 245407, 2010, doi: <a href=\"https://doi.org/10.1103/physrevb.81.245407\">10.1103/physrevb.81.245407</a>.","chicago":"Schumacher, Stefan, Ian Galbraith, Arvydas Ruseckas, Graham A. Turnbull, and Ifor D. W. Samuel. “Dynamics of Photoexcitation and Stimulated Optical Emission in Conjugated Polymers: A Multiscale Quantum-Chemistry and Maxwell-Bloch-Equations Approach.” <i>Physical Review B</i> 81, no. 24 (2010). <a href=\"https://doi.org/10.1103/physrevb.81.245407\">https://doi.org/10.1103/physrevb.81.245407</a>.","apa":"Schumacher, S., Galbraith, I., Ruseckas, A., Turnbull, G. A., &#38; Samuel, I. D. W. (2010). Dynamics of photoexcitation and stimulated optical emission in conjugated polymers: A multiscale quantum-chemistry and Maxwell-Bloch-equations approach. <i>Physical Review B</i>, <i>81</i>(24), Article 245407. <a href=\"https://doi.org/10.1103/physrevb.81.245407\">https://doi.org/10.1103/physrevb.81.245407</a>","mla":"Schumacher, Stefan, et al. “Dynamics of Photoexcitation and Stimulated Optical Emission in Conjugated Polymers: A Multiscale Quantum-Chemistry and Maxwell-Bloch-Equations Approach.” <i>Physical Review B</i>, vol. 81, no. 24, 245407, American Physical Society (APS), 2010, doi:<a href=\"https://doi.org/10.1103/physrevb.81.245407\">10.1103/physrevb.81.245407</a>.","bibtex":"@article{Schumacher_Galbraith_Ruseckas_Turnbull_Samuel_2010, title={Dynamics of photoexcitation and stimulated optical emission in conjugated polymers: A multiscale quantum-chemistry and Maxwell-Bloch-equations approach}, volume={81}, DOI={<a href=\"https://doi.org/10.1103/physrevb.81.245407\">10.1103/physrevb.81.245407</a>}, number={24245407}, journal={Physical Review B}, publisher={American Physical Society (APS)}, author={Schumacher, Stefan and Galbraith, Ian and Ruseckas, Arvydas and Turnbull, Graham A. and Samuel, Ifor D. W.}, year={2010} }","short":"S. Schumacher, I. Galbraith, A. Ruseckas, G.A. Turnbull, I.D.W. Samuel, Physical Review B 81 (2010)."},"intvolume":"        81","publication_status":"published","publication_identifier":{"issn":["1098-0121","1550-235X"]},"issue":"24"},{"year":"2010","citation":{"short":"S. Blankenburg, W.G. Schmidt, Physica Status Solidi (c) 7 (2010) 415–417.","bibtex":"@article{Blankenburg_Schmidt_2010, title={Temperature dependent stability of self-assembled molecular rows}, volume={7}, DOI={<a href=\"https://doi.org/10.1002/pssc.200982460\">10.1002/pssc.200982460</a>}, number={2}, journal={physica status solidi (c)}, author={Blankenburg, S. and Schmidt, Wolf Gero}, year={2010}, pages={415–417} }","mla":"Blankenburg, S., and Wolf Gero Schmidt. “Temperature Dependent Stability of Self-Assembled Molecular Rows.” <i>Physica Status Solidi (c)</i>, vol. 7, no. 2, 2010, pp. 415–17, doi:<a href=\"https://doi.org/10.1002/pssc.200982460\">10.1002/pssc.200982460</a>.","apa":"Blankenburg, S., &#38; Schmidt, W. G. (2010). Temperature dependent stability of self-assembled molecular rows. <i>Physica Status Solidi (c)</i>, <i>7</i>(2), 415–417. <a href=\"https://doi.org/10.1002/pssc.200982460\">https://doi.org/10.1002/pssc.200982460</a>","chicago":"Blankenburg, S., and Wolf Gero Schmidt. “Temperature Dependent Stability of Self-Assembled Molecular Rows.” <i>Physica Status Solidi (c)</i> 7, no. 2 (2010): 415–17. <a href=\"https://doi.org/10.1002/pssc.200982460\">https://doi.org/10.1002/pssc.200982460</a>.","ieee":"S. Blankenburg and W. G. Schmidt, “Temperature dependent stability of self-assembled molecular rows,” <i>physica status solidi (c)</i>, vol. 7, no. 2, pp. 415–417, 2010, doi: <a href=\"https://doi.org/10.1002/pssc.200982460\">10.1002/pssc.200982460</a>.","ama":"Blankenburg S, Schmidt WG. Temperature dependent stability of self-assembled molecular rows. <i>physica status solidi (c)</i>. 2010;7(2):415-417. doi:<a href=\"https://doi.org/10.1002/pssc.200982460\">10.1002/pssc.200982460</a>"},"page":"415-417","intvolume":"         7","publication_status":"published","publication_identifier":{"issn":["1862-6351","1610-1642"]},"issue":"2","title":"Temperature dependent stability of self-assembled molecular rows","doi":"10.1002/pssc.200982460","date_updated":"2025-12-16T07:36:06Z","author":[{"full_name":"Blankenburg, S.","last_name":"Blankenburg","first_name":"S."},{"id":"468","full_name":"Schmidt, Wolf Gero","orcid":"0000-0002-2717-5076","last_name":"Schmidt","first_name":"Wolf Gero"}],"date_created":"2019-10-15T07:47:46Z","volume":7,"status":"public","type":"journal_article","publication":"physica status solidi (c)","funded_apc":"1","language":[{"iso":"eng"}],"project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"_id":"13839","user_id":"16199","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"27"}]},{"issue":"7-8","publication_identifier":{"issn":["1862-6351","1610-1642"]},"publication_status":"published","page":"2272-2274","intvolume":"         7","citation":{"bibtex":"@article{Sanna_Schmidt_2010, title={GaN growth on LiNbO3 (0001) - a first-principles simulation}, volume={7}, DOI={<a href=\"https://doi.org/10.1002/pssc.200983649\">10.1002/pssc.200983649</a>}, number={7–8}, journal={physica status solidi (c)}, author={Sanna, Simone and Schmidt, Wolf Gero}, year={2010}, pages={2272–2274} }","short":"S. Sanna, W.G. Schmidt, Physica Status Solidi (c) 7 (2010) 2272–2274.","mla":"Sanna, Simone, and Wolf Gero Schmidt. “GaN Growth on LiNbO3 (0001) - a First-Principles Simulation.” <i>Physica Status Solidi (c)</i>, vol. 7, no. 7–8, 2010, pp. 2272–74, doi:<a href=\"https://doi.org/10.1002/pssc.200983649\">10.1002/pssc.200983649</a>.","apa":"Sanna, S., &#38; Schmidt, W. G. (2010). GaN growth on LiNbO3 (0001) - a first-principles simulation. <i>Physica Status Solidi (c)</i>, <i>7</i>(7–8), 2272–2274. <a href=\"https://doi.org/10.1002/pssc.200983649\">https://doi.org/10.1002/pssc.200983649</a>","ieee":"S. Sanna and W. G. Schmidt, “GaN growth on LiNbO3 (0001) - a first-principles simulation,” <i>physica status solidi (c)</i>, vol. 7, no. 7–8, pp. 2272–2274, 2010, doi: <a href=\"https://doi.org/10.1002/pssc.200983649\">10.1002/pssc.200983649</a>.","chicago":"Sanna, Simone, and Wolf Gero Schmidt. “GaN Growth on LiNbO3 (0001) - a First-Principles Simulation.” <i>Physica Status Solidi (c)</i> 7, no. 7–8 (2010): 2272–74. <a href=\"https://doi.org/10.1002/pssc.200983649\">https://doi.org/10.1002/pssc.200983649</a>.","ama":"Sanna S, Schmidt WG. GaN growth on LiNbO3 (0001) - a first-principles simulation. <i>physica status solidi (c)</i>. 2010;7(7-8):2272-2274. doi:<a href=\"https://doi.org/10.1002/pssc.200983649\">10.1002/pssc.200983649</a>"},"year":"2010","volume":7,"date_created":"2019-10-15T07:46:44Z","author":[{"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_updated":"2025-12-16T07:36:34Z","doi":"10.1002/pssc.200983649","title":"GaN growth on LiNbO3 (0001) - a first-principles simulation","publication":"physica status solidi (c)","type":"journal_article","status":"public","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"27"}],"user_id":"16199","_id":"13838","project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"language":[{"iso":"eng"}],"funded_apc":"1"},{"date_created":"2019-10-15T07:44:38Z","author":[{"full_name":"Scholle, Andreas","last_name":"Scholle","first_name":"Andreas"},{"last_name":"Greulich-Weber","full_name":"Greulich-Weber, Siegmund","first_name":"Siegmund"},{"first_name":"Eva","last_name":"Rauls","full_name":"Rauls, Eva"},{"full_name":"Schmidt, Wolf Gero","id":"468","orcid":"0000-0002-2717-5076","last_name":"Schmidt","first_name":"Wolf Gero"},{"first_name":"Uwe","last_name":"Gerstmann","orcid":"0000-0002-4476-223X","full_name":"Gerstmann, Uwe","id":"171"}],"volume":"645-648","date_updated":"2025-12-16T07:45:12Z","doi":"10.4028/www.scientific.net/msf.645-648.403","title":"Fine Structure of Triplet Centers in Room Temperature Irradiated 6H-SiC","publication_status":"published","publication_identifier":{"issn":["1662-9752"]},"citation":{"ama":"Scholle A, Greulich-Weber S, Rauls E, Schmidt WG, Gerstmann U. Fine Structure of Triplet Centers in Room Temperature Irradiated 6H-SiC. <i>Materials Science Forum</i>. 2010;645-648:403-406. doi:<a href=\"https://doi.org/10.4028/www.scientific.net/msf.645-648.403\">10.4028/www.scientific.net/msf.645-648.403</a>","chicago":"Scholle, Andreas, Siegmund Greulich-Weber, Eva Rauls, Wolf Gero Schmidt, and Uwe Gerstmann. “Fine Structure of Triplet Centers in Room Temperature Irradiated 6H-SiC.” <i>Materials Science Forum</i> 645–648 (2010): 403–6. <a href=\"https://doi.org/10.4028/www.scientific.net/msf.645-648.403\">https://doi.org/10.4028/www.scientific.net/msf.645-648.403</a>.","ieee":"A. Scholle, S. Greulich-Weber, E. Rauls, W. G. Schmidt, and U. Gerstmann, “Fine Structure of Triplet Centers in Room Temperature Irradiated 6H-SiC,” <i>Materials Science Forum</i>, vol. 645–648, pp. 403–406, 2010, doi: <a href=\"https://doi.org/10.4028/www.scientific.net/msf.645-648.403\">10.4028/www.scientific.net/msf.645-648.403</a>.","apa":"Scholle, A., Greulich-Weber, S., Rauls, E., Schmidt, W. G., &#38; Gerstmann, U. (2010). Fine Structure of Triplet Centers in Room Temperature Irradiated 6H-SiC. <i>Materials Science Forum</i>, <i>645–648</i>, 403–406. <a href=\"https://doi.org/10.4028/www.scientific.net/msf.645-648.403\">https://doi.org/10.4028/www.scientific.net/msf.645-648.403</a>","bibtex":"@article{Scholle_Greulich-Weber_Rauls_Schmidt_Gerstmann_2010, title={Fine Structure of Triplet Centers in Room Temperature Irradiated 6H-SiC}, volume={645–648}, DOI={<a href=\"https://doi.org/10.4028/www.scientific.net/msf.645-648.403\">10.4028/www.scientific.net/msf.645-648.403</a>}, journal={Materials Science Forum}, author={Scholle, Andreas and Greulich-Weber, Siegmund and Rauls, Eva and Schmidt, Wolf Gero and Gerstmann, Uwe}, year={2010}, pages={403–406} }","short":"A. Scholle, S. Greulich-Weber, E. Rauls, W.G. Schmidt, U. Gerstmann, Materials Science Forum 645–648 (2010) 403–406.","mla":"Scholle, Andreas, et al. “Fine Structure of Triplet Centers in Room Temperature Irradiated 6H-SiC.” <i>Materials Science Forum</i>, vol. 645–648, 2010, pp. 403–06, doi:<a href=\"https://doi.org/10.4028/www.scientific.net/msf.645-648.403\">10.4028/www.scientific.net/msf.645-648.403</a>."},"page":"403-406","year":"2010","user_id":"16199","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"790"},{"_id":"35"},{"_id":"230"}],"_id":"13837","language":[{"iso":"eng"}],"type":"journal_article","publication":"Materials Science Forum","status":"public","abstract":[{"text":"<jats:p>In non-annealed 6H-SiC samples that were electron irradiated at room temperature, a new EPR signal due to a S=1 defect center with exceptionally large zero-field splitting (D = +652•10-4 cm-1) has been observed under illumination. A positive sign of D demonstrates that the spin-orbit contribution to the zero-field splitting exceeds by far that of the spin-spin interaction. A principal axis of the fine structure tilted by 59° against the crystal c-axis as well as the exceptionally high zero-field splitting D can be qualitatively understood by the occurrence of additional close-lying defect levels in defect clusters resulting in comparatively large second-order spin-orbit coup¬ling. A tentative assignment to vacancy clusters is supported by the observed annealing behavior.  </jats:p>","lang":"eng"}]},{"year":"2010","citation":{"ama":"Wippermann S, Schmidt WG, Thissen P, Grundmeier G. Dissociative and molecular adsorption of water onα-Al2O3(0001). <i>physica status solidi (c)</i>. 2010;7(2):137-140. doi:<a href=\"https://doi.org/10.1002/pssc.200982423\">10.1002/pssc.200982423</a>","ieee":"S. Wippermann, W. G. Schmidt, P. Thissen, and G. Grundmeier, “Dissociative and molecular adsorption of water onα-Al2O3(0001),” <i>physica status solidi (c)</i>, vol. 7, no. 2, pp. 137–140, 2010, doi: <a href=\"https://doi.org/10.1002/pssc.200982423\">10.1002/pssc.200982423</a>.","chicago":"Wippermann, S., Wolf Gero Schmidt, P. Thissen, and Guido Grundmeier. “Dissociative and Molecular Adsorption of Water Onα-Al2O3(0001).” <i>Physica Status Solidi (c)</i> 7, no. 2 (2010): 137–40. <a href=\"https://doi.org/10.1002/pssc.200982423\">https://doi.org/10.1002/pssc.200982423</a>.","apa":"Wippermann, S., Schmidt, W. G., Thissen, P., &#38; Grundmeier, G. (2010). Dissociative and molecular adsorption of water onα-Al2O3(0001). <i>Physica Status Solidi (c)</i>, <i>7</i>(2), 137–140. <a href=\"https://doi.org/10.1002/pssc.200982423\">https://doi.org/10.1002/pssc.200982423</a>","bibtex":"@article{Wippermann_Schmidt_Thissen_Grundmeier_2010, title={Dissociative and molecular adsorption of water onα-Al2O3(0001)}, volume={7}, DOI={<a href=\"https://doi.org/10.1002/pssc.200982423\">10.1002/pssc.200982423</a>}, number={2}, journal={physica status solidi (c)}, author={Wippermann, S. and Schmidt, Wolf Gero and Thissen, P. and Grundmeier, Guido}, year={2010}, pages={137–140} }","short":"S. Wippermann, W.G. Schmidt, P. Thissen, G. 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