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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.","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>","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>","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>.","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>."},"publication_status":"published"},{"year":"2010","publication_identifier":{"eissn":["1610-1642"],"issn":["1862-6351"]},"language":[{"iso":"eng"}],"status":"public","date_created":"2019-10-01T09:18:29Z","publisher":"Wiley-VCH","date_updated":"2025-12-05T13:01:45Z","isi":"1","file_date_updated":"2020-08-30T15:07:56Z","_id":"13573","intvolume":"         7","conference":{"start_date":"2009-07-05","location":"Weimar","name":"12th International Conference on the Formation of Semiconductor Interfaces","end_date":"2009-07-10"},"article_type":"original","author":[{"full_name":"Thierfelder, Christian","first_name":"Christian","last_name":"Thierfelder"},{"full_name":"Sanna, Simone","first_name":"Simone","last_name":"Sanna"},{"last_name":"Schindlmayr","id":"458","first_name":"Arno","full_name":"Schindlmayr, Arno","orcid":"0000-0002-4855-071X"},{"orcid":"0000-0002-2717-5076","last_name":"Schmidt","id":"468","first_name":"Wolf Gero","full_name":"Schmidt, Wolf Gero"}],"department":[{"_id":"295"},{"_id":"296"},{"_id":"15"},{"_id":"35"},{"_id":"230"},{"_id":"27"},{"_id":"170"}],"citation":{"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>.","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.","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>","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>","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>."},"publication_status":"published","type":"journal_article","publication":"Physica Status Solidi C","ddc":["530"],"quality_controlled":"1","issue":"2","page":"362-365","volume":7,"project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"abstract":[{"lang":"eng","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."}],"has_accepted_license":"1","doi":"10.1002/pssc.200982473","title":"Do we know the band gap of lithium niobate?","file":[{"date_updated":"2020-08-30T15:07:56Z","relation":"main_file","file_size":212674,"file_name":"pssc.200982473.pdf","description":"© 2010 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim","creator":"schindlm","title":"Do we know the band gap of lithium niobate?","date_created":"2020-08-28T14:39:40Z","access_level":"closed","file_id":"18583","content_type":"application/pdf"}],"external_id":{"isi":["000284313000057"]},"user_id":"16199"},{"user_id":"16199","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"doi":"10.1002/pssc.200982462","title":"Ab initiog-tensor calculation for paramagnetic surface states: hydrogen adsorption at Si surfaces","issue":"2","page":"157-160","volume":7,"type":"journal_article","publication":"physica status solidi (c)","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"790"},{"_id":"230"},{"_id":"27"}],"citation":{"short":"U. Gerstmann, M. Rohrmüller, F. Mauri, W.G. Schmidt, Physica Status Solidi (c) 7 (2010) 157–160.","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} }","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>.","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>.","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>.","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>","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>"},"publication_status":"published","intvolume":"         7","author":[{"orcid":"0000-0002-4476-223X","full_name":"Gerstmann, Uwe","first_name":"Uwe","last_name":"Gerstmann","id":"171"},{"last_name":"Rohrmüller","full_name":"Rohrmüller, M.","first_name":"M."},{"full_name":"Mauri, F.","first_name":"F.","last_name":"Mauri"},{"last_name":"Schmidt","id":"468","first_name":"Wolf Gero","full_name":"Schmidt, Wolf Gero","orcid":"0000-0002-2717-5076"}],"date_updated":"2025-12-05T12:45:54Z","_id":"13574","year":"2010","publication_identifier":{"issn":["1862-6351","1610-1642"]},"language":[{"iso":"eng"}],"status":"public","date_created":"2019-10-01T09:20:03Z"},{"language":[{"iso":"eng"}],"publication_identifier":{"issn":["1862-6351","1610-1642"]},"year":"2010","status":"public","date_created":"2019-10-15T07:47:46Z","funded_apc":"1","date_updated":"2025-12-16T07:36:06Z","_id":"13839","intvolume":"         7","author":[{"last_name":"Blankenburg","full_name":"Blankenburg, S.","first_name":"S."},{"id":"468","last_name":"Schmidt","full_name":"Schmidt, Wolf Gero","first_name":"Wolf Gero","orcid":"0000-0002-2717-5076"}],"department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"27"}],"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>.","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>.","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>.","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>","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>"},"publication_status":"published","type":"journal_article","publication":"physica status solidi (c)","issue":"2","page":"415-417","volume":7,"project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"doi":"10.1002/pssc.200982460","title":"Temperature dependent stability of self-assembled molecular rows","user_id":"16199"},{"user_id":"16199","doi":"10.1002/pssc.200983649","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"title":"GaN growth on LiNbO3 (0001) - a first-principles simulation","issue":"7-8","volume":7,"page":"2272-2274","type":"journal_article","publication":"physica status solidi (c)","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"27"}],"publication_status":"published","citation":{"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>.","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.","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>","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>","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>.","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>."},"intvolume":"         7","author":[{"first_name":"Simone","full_name":"Sanna, Simone","last_name":"Sanna"},{"orcid":"0000-0002-2717-5076","last_name":"Schmidt","id":"468","first_name":"Wolf Gero","full_name":"Schmidt, Wolf Gero"}],"date_updated":"2025-12-16T07:36:34Z","_id":"13838","status":"public","language":[{"iso":"eng"}],"publication_identifier":{"issn":["1862-6351","1610-1642"]},"year":"2010","funded_apc":"1","date_created":"2019-10-15T07:46:44Z"},{"doi":"10.1002/pssc.200982423","project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"title":"Dissociative and molecular adsorption of water onα-Al2O3(0001)","user_id":"16199","type":"journal_article","publication":"physica status solidi (c)","issue":"2","volume":7,"page":"137-140","intvolume":"         7","author":[{"first_name":"S.","full_name":"Wippermann, S.","last_name":"Wippermann"},{"id":"468","last_name":"Schmidt","full_name":"Schmidt, Wolf Gero","first_name":"Wolf Gero","orcid":"0000-0002-2717-5076"},{"last_name":"Thissen","full_name":"Thissen, P.","first_name":"P."},{"first_name":"Guido","full_name":"Grundmeier, Guido","id":"194","last_name":"Grundmeier"}],"department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"2"},{"_id":"302"},{"_id":"35"},{"_id":"230"},{"_id":"27"}],"publication_status":"published","citation":{"short":"S. Wippermann, W.G. Schmidt, P. Thissen, G. Grundmeier, Physica Status Solidi (c) 7 (2010) 137–140.","mla":"Wippermann, S., et al. “Dissociative and Molecular Adsorption of Water Onα-Al2O3(0001).” <i>Physica Status Solidi (c)</i>, vol. 7, no. 2, 2010, pp. 137–40, doi:<a href=\"https://doi.org/10.1002/pssc.200982423\">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} }","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>.","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>.","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>","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>"},"status":"public","language":[{"iso":"eng"}],"year":"2010","publication_identifier":{"issn":["1862-6351","1610-1642"]},"funded_apc":"1","date_created":"2019-10-15T07:55:59Z","date_updated":"2025-12-16T07:43:16Z","_id":"13843"},{"doi":"10.1103/physrevb.81.125401","intvolume":"        81","project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"author":[{"last_name":"Rauls","full_name":"Rauls, E.","first_name":"E."},{"full_name":"Blankenburg, S.","first_name":"S.","last_name":"Blankenburg"},{"id":"468","last_name":"Schmidt","full_name":"Schmidt, Wolf Gero","first_name":"Wolf Gero","orcid":"0000-0002-2717-5076"}],"title":"Chemical reactivity on surfaces: Modeling the imide synthesis from DATP and PTCDA on Au(111)","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"27"}],"user_id":"16199","publication_status":"published","citation":{"short":"E. Rauls, S. Blankenburg, W.G. Schmidt, Physical Review B 81 (2010).","bibtex":"@article{Rauls_Blankenburg_Schmidt_2010, title={Chemical reactivity on surfaces: Modeling the imide synthesis from DATP and PTCDA on Au(111)}, volume={81}, DOI={<a href=\"https://doi.org/10.1103/physrevb.81.125401\">10.1103/physrevb.81.125401</a>}, number={12}, journal={Physical Review B}, author={Rauls, E. and Blankenburg, S. and Schmidt, Wolf Gero}, year={2010} }","mla":"Rauls, E., et al. “Chemical Reactivity on Surfaces: Modeling the Imide Synthesis from DATP and PTCDA on Au(111).” <i>Physical Review B</i>, vol. 81, no. 12, 2010, doi:<a href=\"https://doi.org/10.1103/physrevb.81.125401\">10.1103/physrevb.81.125401</a>.","ieee":"E. Rauls, S. Blankenburg, and W. G. Schmidt, “Chemical reactivity on surfaces: Modeling the imide synthesis from DATP and PTCDA on Au(111),” <i>Physical Review B</i>, vol. 81, no. 12, 2010, doi: <a href=\"https://doi.org/10.1103/physrevb.81.125401\">10.1103/physrevb.81.125401</a>.","chicago":"Rauls, E., S. Blankenburg, and Wolf Gero Schmidt. “Chemical Reactivity on Surfaces: Modeling the Imide Synthesis from DATP and PTCDA on Au(111).” <i>Physical Review B</i> 81, no. 12 (2010). <a href=\"https://doi.org/10.1103/physrevb.81.125401\">https://doi.org/10.1103/physrevb.81.125401</a>.","apa":"Rauls, E., Blankenburg, S., &#38; Schmidt, W. G. (2010). Chemical reactivity on surfaces: Modeling the imide synthesis from DATP and PTCDA on Au(111). <i>Physical Review B</i>, <i>81</i>(12). <a href=\"https://doi.org/10.1103/physrevb.81.125401\">https://doi.org/10.1103/physrevb.81.125401</a>","ama":"Rauls E, Blankenburg S, Schmidt WG. Chemical reactivity on surfaces: Modeling the imide synthesis from DATP and PTCDA on Au(111). <i>Physical Review B</i>. 2010;81(12). doi:<a href=\"https://doi.org/10.1103/physrevb.81.125401\">10.1103/physrevb.81.125401</a>"},"status":"public","type":"journal_article","publication_identifier":{"issn":["1098-0121","1550-235X"]},"year":"2010","language":[{"iso":"eng"}],"funded_apc":"1","publication":"Physical Review B","date_created":"2019-10-15T07:43:20Z","date_updated":"2025-12-16T07:46:10Z","issue":"12","volume":81,"_id":"13836"},{"title":"Ab initio investigation of the LiNbO3(0001) surface","project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"doi":"10.1002/pssc.200982456","user_id":"16199","publication":"physica status solidi (c)","type":"journal_article","page":"145-148","volume":7,"issue":"2","author":[{"full_name":"Sanna, Simone","first_name":"Simone","last_name":"Sanna"},{"full_name":"Gavrilenko, Alexander V.","first_name":"Alexander V.","last_name":"Gavrilenko"},{"id":"468","last_name":"Schmidt","full_name":"Schmidt, Wolf Gero","first_name":"Wolf Gero","orcid":"0000-0002-2717-5076"}],"intvolume":"         7","citation":{"ama":"Sanna S, Gavrilenko AV, Schmidt WG. Ab initio investigation of the LiNbO3(0001) surface. <i>physica status solidi (c)</i>. 2010;7(2):145-148. doi:<a href=\"https://doi.org/10.1002/pssc.200982456\">10.1002/pssc.200982456</a>","bibtex":"@article{Sanna_Gavrilenko_Schmidt_2010, title={Ab initio investigation of the LiNbO3(0001) surface}, volume={7}, DOI={<a href=\"https://doi.org/10.1002/pssc.200982456\">10.1002/pssc.200982456</a>}, number={2}, journal={physica status solidi (c)}, author={Sanna, Simone and Gavrilenko, Alexander V. and Schmidt, Wolf Gero}, year={2010}, pages={145–148} }","apa":"Sanna, S., Gavrilenko, A. V., &#38; Schmidt, W. G. (2010). 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