[{"status":"public","publisher":"IOP Publishing","_id":"60581","volume":37,"user_id":"16199","citation":{"mla":"Ruiz Alvarado, Isaac Azahel, et al. “Band Alignment at InP/TiO<sub>2</sub> Interfaces from Density-Functional Theory.” <i>Journal of Physics: Condensed Matter</i>, vol. 37, no. 7, 075001, IOP Publishing, 2024, doi:<a href=\"https://doi.org/10.1088/1361-648x/ad9725\">10.1088/1361-648x/ad9725</a>.","ama":"Ruiz Alvarado IA, Dreßler C, Schmidt WG. Band alignment at InP/TiO<sub>2</sub> interfaces from density-functional theory. <i>Journal of Physics: Condensed Matter</i>. 2024;37(7). doi:<a href=\"https://doi.org/10.1088/1361-648x/ad9725\">10.1088/1361-648x/ad9725</a>","bibtex":"@article{Ruiz Alvarado_Dreßler_Schmidt_2024, title={Band alignment at InP/TiO<sub>2</sub> interfaces from density-functional theory}, volume={37}, DOI={<a href=\"https://doi.org/10.1088/1361-648x/ad9725\">10.1088/1361-648x/ad9725</a>}, number={7075001}, journal={Journal of Physics: Condensed Matter}, publisher={IOP Publishing}, author={Ruiz Alvarado, Isaac Azahel and Dreßler, Christian and Schmidt, Wolf Gero}, year={2024} }","apa":"Ruiz Alvarado, I. A., Dreßler, C., &#38; Schmidt, W. G. (2024). Band alignment at InP/TiO<sub>2</sub> interfaces from density-functional theory. <i>Journal of Physics: Condensed Matter</i>, <i>37</i>(7), Article 075001. <a href=\"https://doi.org/10.1088/1361-648x/ad9725\">https://doi.org/10.1088/1361-648x/ad9725</a>","ieee":"I. A. Ruiz Alvarado, C. Dreßler, and W. G. Schmidt, “Band alignment at InP/TiO<sub>2</sub> interfaces from density-functional theory,” <i>Journal of Physics: Condensed Matter</i>, vol. 37, no. 7, Art. no. 075001, 2024, doi: <a href=\"https://doi.org/10.1088/1361-648x/ad9725\">10.1088/1361-648x/ad9725</a>.","chicago":"Ruiz Alvarado, Isaac Azahel, Christian Dreßler, and Wolf Gero Schmidt. “Band Alignment at InP/TiO<sub>2</sub> Interfaces from Density-Functional Theory.” <i>Journal of Physics: Condensed Matter</i> 37, no. 7 (2024). <a href=\"https://doi.org/10.1088/1361-648x/ad9725\">https://doi.org/10.1088/1361-648x/ad9725</a>.","short":"I.A. Ruiz Alvarado, C. Dreßler, W.G. Schmidt, Journal of Physics: Condensed Matter 37 (2024)."},"project":[{"_id":"53","name":"TRR 142: TRR 142 - Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen"},{"name":"TRR 142 - B: TRR 142 - Project Area B","_id":"55"},{"name":"TRR 142 - B07: TRR 142 - Polaronen-Einfluss auf die optischen Eigenschaften von Lithiumniobat (B07*)","_id":"168"}],"author":[{"full_name":"Ruiz Alvarado, Isaac Azahel","first_name":"Isaac Azahel","last_name":"Ruiz Alvarado","orcid":"0000-0002-4710-1170","id":"79462"},{"first_name":"Christian","last_name":"Dreßler","full_name":"Dreßler, Christian"},{"id":"468","full_name":"Schmidt, Wolf Gero","orcid":"0000-0002-2717-5076","last_name":"Schmidt","first_name":"Wolf Gero"}],"publication_identifier":{"issn":["0953-8984","1361-648X"]},"year":"2024","title":"Band alignment at InP/TiO<sub>2</sub> interfaces from density-functional theory","intvolume":"        37","date_updated":"2025-12-05T13:35:44Z","publication_status":"published","language":[{"iso":"eng"}],"article_number":"075001","doi":"10.1088/1361-648x/ad9725","issue":"7","publication":"Journal of Physics: Condensed Matter","abstract":[{"text":"<jats:title>Abstract</jats:title>\r\n               <jats:p>The natural band alignments between indium phosphide and the main dioxides of titanium, i.e. rutile, anatase, and brookite as well as amorphous titania are calculated from the branch-point energies of the respective materials. Irrespective of the titania polymorph considered, type-I band alignment is predicted. This may change, however, in dependence on the microscopic interface structure: supercell calculations for amorphous titania grown on P-rich InP(001) surfaces result in a titania conduction band that nearly aligns with that of InP. Depending on the interface specifics, both type-I band and type-II band alignments are observed in the simulations. This agrees with recent experimental findings.</jats:p>","lang":"eng"}],"date_created":"2025-07-09T13:40:51Z","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"230"},{"_id":"27"},{"_id":"35"}],"type":"journal_article"},{"type":"journal_article","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"230"},{"_id":"429"},{"_id":"35"}],"date_created":"2019-09-20T12:22:27Z","publication":"Journal of Physics: Condensed Matter","doi":"10.1088/1361-648x/ab295c","main_file_link":[{"open_access":"1"}],"language":[{"iso":"eng"}],"publication_status":"published","date_updated":"2023-04-21T11:37:48Z","intvolume":"        31","year":"2019","title":"Oxygen and potassium vacancies in KTP calculated from first principles","author":[{"id":"58349","full_name":"Bocchini, Adriana","last_name":"Bocchini","first_name":"Adriana","orcid":"https://orcid.org/0000-0002-2134-3075"},{"full_name":"Neufeld, Sergej","last_name":"Neufeld","first_name":"Sergej","id":"23261"},{"last_name":"Gerstmann","first_name":"Uwe","orcid":"0000-0002-4476-223X","full_name":"Gerstmann, Uwe","id":"171"},{"orcid":"0000-0002-2717-5076","first_name":"Wolf Gero","last_name":"Schmidt","full_name":"Schmidt, Wolf Gero","id":"468"}],"publication_identifier":{"issn":["0953-8984","1361-648X"]},"oa":"1","project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"},{"name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"},{"name":"TRR 142: TRR 142","_id":"53"},{"_id":"55","name":"TRR 142 - B: TRR 142 - Project Area B"},{"_id":"69","name":"TRR 142 - B4: TRR 142 - Subproject B4"}],"citation":{"short":"A. Bocchini, S. Neufeld, U. Gerstmann, W.G. Schmidt, Journal of Physics: Condensed Matter 31 (2019) 385401.","chicago":"Bocchini, Adriana, Sergej Neufeld, Uwe Gerstmann, and Wolf Gero Schmidt. “Oxygen and Potassium Vacancies in KTP Calculated from First Principles.” <i>Journal of Physics: Condensed Matter</i> 31 (2019): 385401. <a href=\"https://doi.org/10.1088/1361-648x/ab295c\">https://doi.org/10.1088/1361-648x/ab295c</a>.","ieee":"A. Bocchini, S. Neufeld, U. Gerstmann, and W. G. Schmidt, “Oxygen and potassium vacancies in KTP calculated from first principles,” <i>Journal of Physics: Condensed Matter</i>, vol. 31, p. 385401, 2019, doi: <a href=\"https://doi.org/10.1088/1361-648x/ab295c\">10.1088/1361-648x/ab295c</a>.","apa":"Bocchini, A., Neufeld, S., Gerstmann, U., &#38; Schmidt, W. G. (2019). Oxygen and potassium vacancies in KTP calculated from first principles. <i>Journal of Physics: Condensed Matter</i>, <i>31</i>, 385401. <a href=\"https://doi.org/10.1088/1361-648x/ab295c\">https://doi.org/10.1088/1361-648x/ab295c</a>","bibtex":"@article{Bocchini_Neufeld_Gerstmann_Schmidt_2019, title={Oxygen and potassium vacancies in KTP calculated from first principles}, volume={31}, DOI={<a href=\"https://doi.org/10.1088/1361-648x/ab295c\">10.1088/1361-648x/ab295c</a>}, journal={Journal of Physics: Condensed Matter}, author={Bocchini, Adriana and Neufeld, Sergej and Gerstmann, Uwe and Schmidt, Wolf Gero}, year={2019}, pages={385401} }","ama":"Bocchini A, Neufeld S, Gerstmann U, Schmidt WG. Oxygen and potassium vacancies in KTP calculated from first principles. <i>Journal of Physics: Condensed Matter</i>. 2019;31:385401. doi:<a href=\"https://doi.org/10.1088/1361-648x/ab295c\">10.1088/1361-648x/ab295c</a>","mla":"Bocchini, Adriana, et al. “Oxygen and Potassium Vacancies in KTP Calculated from First Principles.” <i>Journal of Physics: Condensed Matter</i>, vol. 31, 2019, p. 385401, doi:<a href=\"https://doi.org/10.1088/1361-648x/ab295c\">10.1088/1361-648x/ab295c</a>."},"user_id":"171","volume":31,"page":"385401","_id":"13429","status":"public"},{"project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"citation":{"mla":"Sanna, Simone, and Wolf Gero Schmidt. “LiNbO3 Surfaces from a Microscopic Perspective.” <i>Journal of Physics: Condensed Matter</i>, 413001, 2017, doi:<a href=\"https://doi.org/10.1088/1361-648x/aa818d\">10.1088/1361-648x/aa818d</a>.","bibtex":"@article{Sanna_Schmidt_2017, title={LiNbO3 surfaces from a microscopic perspective}, DOI={<a href=\"https://doi.org/10.1088/1361-648x/aa818d\">10.1088/1361-648x/aa818d</a>}, number={413001}, journal={Journal of Physics: Condensed Matter}, author={Sanna, Simone and Schmidt, Wolf Gero}, year={2017} }","ama":"Sanna S, Schmidt WG. LiNbO3 surfaces from a microscopic perspective. <i>Journal of Physics: Condensed Matter</i>. Published online 2017. doi:<a href=\"https://doi.org/10.1088/1361-648x/aa818d\">10.1088/1361-648x/aa818d</a>","ieee":"S. Sanna and W. G. Schmidt, “LiNbO3 surfaces from a microscopic perspective,” <i>Journal of Physics: Condensed Matter</i>, Art. no. 413001, 2017, doi: <a href=\"https://doi.org/10.1088/1361-648x/aa818d\">10.1088/1361-648x/aa818d</a>.","apa":"Sanna, S., &#38; Schmidt, W. G. (2017). LiNbO3 surfaces from a microscopic perspective. <i>Journal of Physics: Condensed Matter</i>, Article 413001. <a href=\"https://doi.org/10.1088/1361-648x/aa818d\">https://doi.org/10.1088/1361-648x/aa818d</a>","chicago":"Sanna, Simone, and Wolf Gero Schmidt. “LiNbO3 Surfaces from a Microscopic Perspective.” <i>Journal of Physics: Condensed Matter</i>, 2017. <a href=\"https://doi.org/10.1088/1361-648x/aa818d\">https://doi.org/10.1088/1361-648x/aa818d</a>.","short":"S. Sanna, W.G. Schmidt, Journal of Physics: Condensed Matter (2017)."},"publication":"Journal of Physics: Condensed Matter","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"27"}],"type":"journal_article","date_created":"2019-09-20T11:59:09Z","publication_status":"published","date_updated":"2025-12-05T10:13:16Z","author":[{"full_name":"Sanna, Simone","first_name":"Simone","last_name":"Sanna"},{"full_name":"Schmidt, Wolf Gero","first_name":"Wolf Gero","last_name":"Schmidt","orcid":"0000-0002-2717-5076","id":"468"}],"publication_identifier":{"issn":["0953-8984","1361-648X"]},"status":"public","year":"2017","title":"LiNbO3 surfaces from a microscopic perspective","user_id":"16199","doi":"10.1088/1361-648x/aa818d","funded_apc":"1","_id":"13418","language":[{"iso":"eng"}],"article_number":"413001"},{"status":"public","volume":29,"user_id":"16199","_id":"13803","funded_apc":"1","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"citation":{"mla":"Giannozzi, P., et al. “Advanced Capabilities for Materials Modelling with Quantum ESPRESSO.” <i>Journal of Physics: Condensed Matter</i>, vol. 29, no. 46, 465901, 2017, doi:<a href=\"https://doi.org/10.1088/1361-648x/aa8f79\">10.1088/1361-648x/aa8f79</a>.","bibtex":"@article{Giannozzi_Andreussi_Brumme_Bunau_Buongiorno Nardelli_Calandra_Car_Cavazzoni_Ceresoli_Cococcioni_et al._2017, title={Advanced capabilities for materials modelling with Quantum ESPRESSO}, volume={29}, DOI={<a href=\"https://doi.org/10.1088/1361-648x/aa8f79\">10.1088/1361-648x/aa8f79</a>}, number={46465901}, journal={Journal of Physics: Condensed Matter}, author={Giannozzi, P and Andreussi, O and Brumme, T and Bunau, O and Buongiorno Nardelli, M and Calandra, M and Car, R and Cavazzoni, C and Ceresoli, D and Cococcioni, M and et al.}, year={2017} }","ama":"Giannozzi P, Andreussi O, Brumme T, et al. Advanced capabilities for materials modelling with Quantum ESPRESSO. <i>Journal of Physics: Condensed Matter</i>. 2017;29(46). doi:<a href=\"https://doi.org/10.1088/1361-648x/aa8f79\">10.1088/1361-648x/aa8f79</a>","ieee":"P. Giannozzi <i>et al.</i>, “Advanced capabilities for materials modelling with Quantum ESPRESSO,” <i>Journal of Physics: Condensed Matter</i>, vol. 29, no. 46, Art. no. 465901, 2017, doi: <a href=\"https://doi.org/10.1088/1361-648x/aa8f79\">10.1088/1361-648x/aa8f79</a>.","apa":"Giannozzi, P., Andreussi, O., Brumme, T., Bunau, O., Buongiorno Nardelli, M., Calandra, M., Car, R., Cavazzoni, C., Ceresoli, D., Cococcioni, M., Colonna, N., Carnimeo, I., Dal Corso, A., de Gironcoli, S., Delugas, P., DiStasio, R. A., Ferretti, A., Floris, A., Fratesi, G., … Baroni, S. (2017). Advanced capabilities for materials modelling with Quantum ESPRESSO. <i>Journal of Physics: Condensed Matter</i>, <i>29</i>(46), Article 465901. <a href=\"https://doi.org/10.1088/1361-648x/aa8f79\">https://doi.org/10.1088/1361-648x/aa8f79</a>","short":"P. Giannozzi, O. Andreussi, T. Brumme, O. Bunau, M. Buongiorno Nardelli, M. Calandra, R. Car, C. Cavazzoni, D. Ceresoli, M. Cococcioni, N. Colonna, I. Carnimeo, A. Dal Corso, S. de Gironcoli, P. Delugas, R.A. DiStasio, A. Ferretti, A. Floris, G. Fratesi, G. Fugallo, R. Gebauer, U. Gerstmann, F. Giustino, T. Gorni, J. Jia, M. Kawamura, H.-Y. Ko, A. Kokalj, E. Küçükbenli, M. Lazzeri, M. Marsili, N. Marzari, F. Mauri, N.L. Nguyen, H.-V. Nguyen, A. Otero-de-la-Roza, L. Paulatto, S. Poncé, D. Rocca, R. Sabatini, B. Santra, M. Schlipf, A.P. Seitsonen, A. Smogunov, I. Timrov, T. Thonhauser, P. Umari, N. Vast, X. Wu, S. Baroni, Journal of Physics: Condensed Matter 29 (2017).","chicago":"Giannozzi, P, O Andreussi, T Brumme, O Bunau, M Buongiorno Nardelli, M Calandra, R Car, et al. “Advanced Capabilities for Materials Modelling with Quantum ESPRESSO.” <i>Journal of Physics: Condensed Matter</i> 29, no. 46 (2017). <a href=\"https://doi.org/10.1088/1361-648x/aa8f79\">https://doi.org/10.1088/1361-648x/aa8f79</a>."},"intvolume":"        29","publication_status":"published","date_updated":"2025-12-16T07:55:01Z","publication_identifier":{"issn":["0953-8984","1361-648X"]},"author":[{"first_name":"P","last_name":"Giannozzi","full_name":"Giannozzi, P"},{"first_name":"O","last_name":"Andreussi","full_name":"Andreussi, O"},{"last_name":"Brumme","first_name":"T","full_name":"Brumme, T"},{"full_name":"Bunau, O","last_name":"Bunau","first_name":"O"},{"full_name":"Buongiorno Nardelli, M","first_name":"M","last_name":"Buongiorno Nardelli"},{"last_name":"Calandra","first_name":"M","full_name":"Calandra, M"},{"full_name":"Car, R","last_name":"Car","first_name":"R"},{"last_name":"Cavazzoni","first_name":"C","full_name":"Cavazzoni, C"},{"full_name":"Ceresoli, D","last_name":"Ceresoli","first_name":"D"},{"full_name":"Cococcioni, M","last_name":"Cococcioni","first_name":"M"},{"full_name":"Colonna, N","last_name":"Colonna","first_name":"N"},{"full_name":"Carnimeo, I","first_name":"I","last_name":"Carnimeo"},{"last_name":"Dal Corso","first_name":"A","full_name":"Dal Corso, A"},{"first_name":"S","last_name":"de Gironcoli","full_name":"de Gironcoli, S"},{"full_name":"Delugas, P","first_name":"P","last_name":"Delugas"},{"full_name":"DiStasio, R A","first_name":"R A","last_name":"DiStasio"},{"last_name":"Ferretti","first_name":"A","full_name":"Ferretti, A"},{"last_name":"Floris","first_name":"A","full_name":"Floris, A"},{"last_name":"Fratesi","first_name":"G","full_name":"Fratesi, G"},{"full_name":"Fugallo, G","last_name":"Fugallo","first_name":"G"},{"last_name":"Gebauer","first_name":"R","full_name":"Gebauer, R"},{"id":"171","full_name":"Gerstmann, Uwe","first_name":"Uwe","orcid":"0000-0002-4476-223X","last_name":"Gerstmann"},{"full_name":"Giustino, F","first_name":"F","last_name":"Giustino"},{"full_name":"Gorni, T","last_name":"Gorni","first_name":"T"},{"last_name":"Jia","first_name":"J","full_name":"Jia, J"},{"first_name":"M","last_name":"Kawamura","full_name":"Kawamura, M"},{"full_name":"Ko, H-Y","first_name":"H-Y","last_name":"Ko"},{"first_name":"A","last_name":"Kokalj","full_name":"Kokalj, A"},{"first_name":"E","last_name":"Küçükbenli","full_name":"Küçükbenli, E"},{"first_name":"M","last_name":"Lazzeri","full_name":"Lazzeri, M"},{"first_name":"M","last_name":"Marsili","full_name":"Marsili, M"},{"full_name":"Marzari, N","last_name":"Marzari","first_name":"N"},{"first_name":"F","last_name":"Mauri","full_name":"Mauri, F"},{"full_name":"Nguyen, N L","last_name":"Nguyen","first_name":"N L"},{"first_name":"H-V","last_name":"Nguyen","full_name":"Nguyen, H-V"},{"full_name":"Otero-de-la-Roza, A","first_name":"A","last_name":"Otero-de-la-Roza"},{"full_name":"Paulatto, L","last_name":"Paulatto","first_name":"L"},{"last_name":"Poncé","first_name":"S","full_name":"Poncé, S"},{"full_name":"Rocca, D","first_name":"D","last_name":"Rocca"},{"first_name":"R","last_name":"Sabatini","full_name":"Sabatini, R"},{"last_name":"Santra","first_name":"B","full_name":"Santra, B"},{"last_name":"Schlipf","first_name":"M","full_name":"Schlipf, M"},{"first_name":"A P","last_name":"Seitsonen","full_name":"Seitsonen, A P"},{"first_name":"A","last_name":"Smogunov","full_name":"Smogunov, A"},{"full_name":"Timrov, I","first_name":"I","last_name":"Timrov"},{"first_name":"T","last_name":"Thonhauser","full_name":"Thonhauser, T"},{"first_name":"P","last_name":"Umari","full_name":"Umari, P"},{"full_name":"Vast, N","first_name":"N","last_name":"Vast"},{"full_name":"Wu, X","first_name":"X","last_name":"Wu"},{"first_name":"S","last_name":"Baroni","full_name":"Baroni, S"}],"year":"2017","title":"Advanced capabilities for materials modelling with Quantum ESPRESSO","doi":"10.1088/1361-648x/aa8f79","language":[{"iso":"eng"}],"article_number":"465901","issue":"46","publication":"Journal of Physics: Condensed Matter","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"790"},{"_id":"35"},{"_id":"230"},{"_id":"27"}],"type":"journal_article","date_created":"2019-10-11T10:45:17Z"},{"_id":"22946","user_id":"16199","volume":27,"status":"public","citation":{"mla":"Liu, Hong, et al. “Curvature Effects in the Band Structure of Carbon Nanotubes Including Spin–Orbit Coupling.” <i>Journal of Physics: Condensed Matter</i>, vol. 27, no. 44, 445501, 2015, doi:<a href=\"https://doi.org/10.1088/0953-8984/27/44/445501\">10.1088/0953-8984/27/44/445501</a>.","bibtex":"@article{Liu_Heinze_Thanh Duc_Schumacher_Meier_2015, title={Curvature effects in the band structure of carbon nanotubes including spin–orbit coupling}, volume={27}, DOI={<a href=\"https://doi.org/10.1088/0953-8984/27/44/445501\">10.1088/0953-8984/27/44/445501</a>}, number={44445501}, journal={Journal of Physics: Condensed Matter}, author={Liu, Hong and Heinze, Dirk Florian and Thanh Duc, Huynh and Schumacher, Stefan and Meier, Torsten}, year={2015} }","ama":"Liu H, Heinze DF, Thanh Duc H, Schumacher S, Meier T. Curvature effects in the band structure of carbon nanotubes including spin–orbit coupling. <i>Journal of Physics: Condensed Matter</i>. 2015;27(44). doi:<a href=\"https://doi.org/10.1088/0953-8984/27/44/445501\">10.1088/0953-8984/27/44/445501</a>","ieee":"H. Liu, D. F. Heinze, H. Thanh Duc, S. Schumacher, and T. Meier, “Curvature effects in the band structure of carbon nanotubes including spin–orbit coupling,” <i>Journal of Physics: Condensed Matter</i>, vol. 27, no. 44, Art. no. 445501, 2015, doi: <a href=\"https://doi.org/10.1088/0953-8984/27/44/445501\">10.1088/0953-8984/27/44/445501</a>.","apa":"Liu, H., Heinze, D. F., Thanh Duc, H., Schumacher, S., &#38; Meier, T. (2015). Curvature effects in the band structure of carbon nanotubes including spin–orbit coupling. <i>Journal of Physics: Condensed Matter</i>, <i>27</i>(44), Article 445501. <a href=\"https://doi.org/10.1088/0953-8984/27/44/445501\">https://doi.org/10.1088/0953-8984/27/44/445501</a>","chicago":"Liu, Hong, Dirk Florian Heinze, Huynh Thanh Duc, Stefan Schumacher, and Torsten Meier. “Curvature Effects in the Band Structure of Carbon Nanotubes Including Spin–Orbit Coupling.” <i>Journal of Physics: Condensed Matter</i> 27, no. 44 (2015). <a href=\"https://doi.org/10.1088/0953-8984/27/44/445501\">https://doi.org/10.1088/0953-8984/27/44/445501</a>.","short":"H. Liu, D.F. Heinze, H. Thanh Duc, S. Schumacher, T. Meier, Journal of Physics: Condensed Matter 27 (2015)."},"project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"},{"name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"article_number":"445501","language":[{"iso":"eng"}],"doi":"10.1088/0953-8984/27/44/445501","title":"Curvature effects in the band structure of carbon nanotubes including spin–orbit coupling","year":"2015","author":[{"full_name":"Liu, Hong","first_name":"Hong","last_name":"Liu"},{"id":"10904","full_name":"Heinze, Dirk Florian","last_name":"Heinze","first_name":"Dirk Florian"},{"full_name":"Thanh Duc, Huynh","first_name":"Huynh","last_name":"Thanh Duc"},{"id":"27271","orcid":"0000-0003-4042-4951","last_name":"Schumacher","first_name":"Stefan","full_name":"Schumacher, Stefan"},{"first_name":"Torsten","orcid":"0000-0001-8864-2072","last_name":"Meier","full_name":"Meier, Torsten","id":"344"}],"publication_identifier":{"issn":["0953-8984","1361-648X"]},"date_updated":"2025-12-05T14:48:46Z","publication_status":"published","intvolume":"        27","date_created":"2021-08-06T08:49:10Z","type":"journal_article","department":[{"_id":"15"},{"_id":"170"},{"_id":"293"},{"_id":"297"},{"_id":"230"},{"_id":"35"},{"_id":"27"}],"issue":"44","publication":"Journal of Physics: Condensed Matter","abstract":[{"text":"The Kane–Mele model was previously used to describe effective spin–orbit couplings (SOCs) in graphene. Here we extend this model and also incorporate curvature effects to analyze the combined influence of SOC and curvature on the band structure of carbon nanotubes (CNTs). The extended model then reproduces the chirality-dependent asymmetric electron-hole splitting for semiconducting CNTs and in the band structure for metallic CNTs shows an opening of the band gap and a change of the Fermi wave vector with spin. For chiral semiconducting CNTs with large chiral angle we show that the spin-splitting configuration of bands near the Fermi energy depends on the value of $\\text{mod}(2n+m,3)$ .","lang":"eng"}]},{"publication_status":"published","date_updated":"2025-12-05T14:48:14Z","intvolume":"        27","year":"2015","title":"Curvature effects in the band structure of carbon nanotubes including spin–orbit coupling","author":[{"full_name":"Liu, Hong","last_name":"Liu","first_name":"Hong"},{"first_name":"Dirk Florian","last_name":"Heinze","full_name":"Heinze, Dirk Florian","id":"10904"},{"first_name":"Huynh","last_name":"Thanh Duc","full_name":"Thanh Duc, Huynh"},{"full_name":"Schumacher, Stefan","last_name":"Schumacher","orcid":"0000-0003-4042-4951","first_name":"Stefan","id":"27271"},{"id":"344","full_name":"Meier, Torsten","first_name":"Torsten","orcid":"0000-0001-8864-2072","last_name":"Meier"}],"publication_identifier":{"issn":["0953-8984","1361-648X"]},"doi":"10.1088/0953-8984/27/44/445501","article_number":"445501","language":[{"iso":"eng"}],"issue":"44","publication":"Journal of Physics: Condensed Matter","type":"journal_article","department":[{"_id":"15"},{"_id":"170"},{"_id":"293"},{"_id":"297"},{"_id":"230"},{"_id":"35"},{"_id":"27"}],"date_created":"2019-10-18T08:55:01Z","status":"public","user_id":"16199","volume":27,"_id":"13922","funded_apc":"1","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"},{"_id":"52","name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"citation":{"ieee":"H. Liu, D. F. Heinze, H. Thanh Duc, S. Schumacher, and T. Meier, “Curvature effects in the band structure of carbon nanotubes including spin–orbit coupling,” <i>Journal of Physics: Condensed Matter</i>, vol. 27, no. 44, Art. no. 445501, 2015, doi: <a href=\"https://doi.org/10.1088/0953-8984/27/44/445501\">10.1088/0953-8984/27/44/445501</a>.","apa":"Liu, H., Heinze, D. F., Thanh Duc, H., Schumacher, S., &#38; Meier, T. (2015). Curvature effects in the band structure of carbon nanotubes including spin–orbit coupling. <i>Journal of Physics: Condensed Matter</i>, <i>27</i>(44), Article 445501. <a href=\"https://doi.org/10.1088/0953-8984/27/44/445501\">https://doi.org/10.1088/0953-8984/27/44/445501</a>","chicago":"Liu, Hong, Dirk Florian Heinze, Huynh Thanh Duc, Stefan Schumacher, and Torsten Meier. “Curvature Effects in the Band Structure of Carbon Nanotubes Including Spin–Orbit Coupling.” <i>Journal of Physics: Condensed Matter</i> 27, no. 44 (2015). <a href=\"https://doi.org/10.1088/0953-8984/27/44/445501\">https://doi.org/10.1088/0953-8984/27/44/445501</a>.","short":"H. Liu, D.F. Heinze, H. Thanh Duc, S. Schumacher, T. Meier, Journal of Physics: Condensed Matter 27 (2015).","mla":"Liu, Hong, et al. “Curvature Effects in the Band Structure of Carbon Nanotubes Including Spin–Orbit Coupling.” <i>Journal of Physics: Condensed Matter</i>, vol. 27, no. 44, 445501, 2015, doi:<a href=\"https://doi.org/10.1088/0953-8984/27/44/445501\">10.1088/0953-8984/27/44/445501</a>.","bibtex":"@article{Liu_Heinze_Thanh Duc_Schumacher_Meier_2015, title={Curvature effects in the band structure of carbon nanotubes including spin–orbit coupling}, volume={27}, DOI={<a href=\"https://doi.org/10.1088/0953-8984/27/44/445501\">10.1088/0953-8984/27/44/445501</a>}, number={44445501}, journal={Journal of Physics: Condensed Matter}, author={Liu, Hong and Heinze, Dirk Florian and Thanh Duc, Huynh and Schumacher, Stefan and Meier, Torsten}, year={2015} }","ama":"Liu H, Heinze DF, Thanh Duc H, Schumacher S, Meier T. Curvature effects in the band structure of carbon nanotubes including spin–orbit coupling. <i>Journal of Physics: Condensed Matter</i>. 2015;27(44). doi:<a href=\"https://doi.org/10.1088/0953-8984/27/44/445501\">10.1088/0953-8984/27/44/445501</a>"}},{"project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"publication":"Journal of Physics: Condensed Matter","citation":{"short":"M. Landmann, T. Köhler, E. Rauls, T. Frauenheim, W.G. Schmidt, Journal of Physics: Condensed Matter 26 (2014).","chicago":"Landmann, M, T Köhler, E Rauls, T Frauenheim, and Wolf Gero Schmidt. “The Atomic Structure of Ternary Amorphous TixSi1−xO2hybrid Oxides.” <i>Journal of Physics: Condensed Matter</i> 26 (2014). <a href=\"https://doi.org/10.1088/0953-8984/26/25/253201\">https://doi.org/10.1088/0953-8984/26/25/253201</a>.","apa":"Landmann, M., Köhler, T., Rauls, E., Frauenheim, T., &#38; Schmidt, W. G. (2014). The atomic structure of ternary amorphous TixSi1−xO2hybrid oxides. <i>Journal of Physics: Condensed Matter</i>, <i>26</i>, Article 253201. <a href=\"https://doi.org/10.1088/0953-8984/26/25/253201\">https://doi.org/10.1088/0953-8984/26/25/253201</a>","ieee":"M. Landmann, T. Köhler, E. Rauls, T. Frauenheim, and W. G. Schmidt, “The atomic structure of ternary amorphous TixSi1−xO2hybrid oxides,” <i>Journal of Physics: Condensed Matter</i>, vol. 26, Art. no. 253201, 2014, doi: <a href=\"https://doi.org/10.1088/0953-8984/26/25/253201\">10.1088/0953-8984/26/25/253201</a>.","ama":"Landmann M, Köhler T, Rauls E, Frauenheim T, Schmidt WG. The atomic structure of ternary amorphous TixSi1−xO2hybrid oxides. <i>Journal of Physics: Condensed Matter</i>. 2014;26. doi:<a href=\"https://doi.org/10.1088/0953-8984/26/25/253201\">10.1088/0953-8984/26/25/253201</a>","bibtex":"@article{Landmann_Köhler_Rauls_Frauenheim_Schmidt_2014, title={The atomic structure of ternary amorphous TixSi1−xO2hybrid oxides}, volume={26}, DOI={<a href=\"https://doi.org/10.1088/0953-8984/26/25/253201\">10.1088/0953-8984/26/25/253201</a>}, number={253201}, journal={Journal of Physics: Condensed Matter}, author={Landmann, M and Köhler, T and Rauls, E and Frauenheim, T and Schmidt, Wolf Gero}, year={2014} }","mla":"Landmann, M., et al. “The Atomic Structure of Ternary Amorphous TixSi1−xO2hybrid Oxides.” <i>Journal of Physics: Condensed Matter</i>, vol. 26, 253201, 2014, doi:<a href=\"https://doi.org/10.1088/0953-8984/26/25/253201\">10.1088/0953-8984/26/25/253201</a>."},"type":"journal_article","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"27"}],"date_created":"2019-09-30T13:31:47Z","publication_status":"published","date_updated":"2025-12-05T10:34:00Z","intvolume":"        26","year":"2014","status":"public","title":"The atomic structure of ternary amorphous TixSi1−xO2hybrid oxides","author":[{"full_name":"Landmann, M","last_name":"Landmann","first_name":"M"},{"full_name":"Köhler, T","first_name":"T","last_name":"Köhler"},{"full_name":"Rauls, E","first_name":"E","last_name":"Rauls"},{"first_name":"T","last_name":"Frauenheim","full_name":"Frauenheim, T"},{"full_name":"Schmidt, Wolf Gero","last_name":"Schmidt","orcid":"0000-0002-2717-5076","first_name":"Wolf Gero","id":"468"}],"publication_identifier":{"issn":["0953-8984","1361-648X"]},"user_id":"16199","doi":"10.1088/0953-8984/26/25/253201","volume":26,"article_number":"253201","language":[{"iso":"eng"}],"_id":"13511"},{"citation":{"ieee":"D. J. Carrad <i>et al.</i>, “The effect of (NH4)2Sxpassivation on the (311)A GaAs surface and its use in AlGaAs/GaAs heterostructure devices,” <i>Journal of Physics: Condensed Matter</i>, vol. 25, no. 32, 2013.","apa":"Carrad, D. J., Burke, A. M., Reece, P. J., Lyttleton, R. W., Waddington, D. E. J., Rai, A., … Micolich, A. P. (2013). The effect of (NH4)2Sxpassivation on the (311)A GaAs surface and its use in AlGaAs/GaAs heterostructure devices. <i>Journal of Physics: Condensed Matter</i>, <i>25</i>(32). <a href=\"https://doi.org/10.1088/0953-8984/25/32/325304\">https://doi.org/10.1088/0953-8984/25/32/325304</a>","chicago":"Carrad, D J, A M Burke, P J Reece, R W Lyttleton, D E J Waddington, A Rai, Dirk Reuter, A D Wieck, and A P Micolich. “The Effect of (NH4)2Sxpassivation on the (311)A GaAs Surface and Its Use in AlGaAs/GaAs Heterostructure Devices.” <i>Journal of Physics: Condensed Matter</i> 25, no. 32 (2013). <a href=\"https://doi.org/10.1088/0953-8984/25/32/325304\">https://doi.org/10.1088/0953-8984/25/32/325304</a>.","short":"D.J. Carrad, A.M. Burke, P.J. Reece, R.W. Lyttleton, D.E.J. Waddington, A. Rai, D. Reuter, A.D. Wieck, A.P. Micolich, Journal of Physics: Condensed Matter 25 (2013).","mla":"Carrad, D. J., et al. “The Effect of (NH4)2Sxpassivation on the (311)A GaAs Surface and Its Use in AlGaAs/GaAs Heterostructure Devices.” <i>Journal of Physics: Condensed Matter</i>, vol. 25, no. 32, 325304, IOP Publishing, 2013, doi:<a href=\"https://doi.org/10.1088/0953-8984/25/32/325304\">10.1088/0953-8984/25/32/325304</a>.","bibtex":"@article{Carrad_Burke_Reece_Lyttleton_Waddington_Rai_Reuter_Wieck_Micolich_2013, title={The effect of (NH4)2Sxpassivation on the (311)A GaAs surface and its use in AlGaAs/GaAs heterostructure devices}, volume={25}, DOI={<a href=\"https://doi.org/10.1088/0953-8984/25/32/325304\">10.1088/0953-8984/25/32/325304</a>}, number={32325304}, journal={Journal of Physics: Condensed Matter}, publisher={IOP Publishing}, author={Carrad, D J and Burke, A M and Reece, P J and Lyttleton, R W and Waddington, D E J and Rai, A and Reuter, Dirk and Wieck, A D and Micolich, A P}, year={2013} }","ama":"Carrad DJ, Burke AM, Reece PJ, et al. The effect of (NH4)2Sxpassivation on the (311)A GaAs surface and its use in AlGaAs/GaAs heterostructure devices. <i>Journal of Physics: Condensed Matter</i>. 2013;25(32). doi:<a href=\"https://doi.org/10.1088/0953-8984/25/32/325304\">10.1088/0953-8984/25/32/325304</a>"},"status":"public","publisher":"IOP Publishing","_id":"7260","volume":25,"user_id":"42514","issue":"32","publication":"Journal of Physics: Condensed Matter","date_created":"2019-01-30T12:57:16Z","department":[{"_id":"15"},{"_id":"230"}],"type":"journal_article","publication_identifier":{"issn":["0953-8984","1361-648X"]},"author":[{"last_name":"Carrad","first_name":"D J","full_name":"Carrad, D J"},{"full_name":"Burke, A M","last_name":"Burke","first_name":"A M"},{"first_name":"P J","last_name":"Reece","full_name":"Reece, P J"},{"last_name":"Lyttleton","first_name":"R W","full_name":"Lyttleton, R W"},{"full_name":"Waddington, D E J","last_name":"Waddington","first_name":"D E J"},{"full_name":"Rai, A","last_name":"Rai","first_name":"A"},{"id":"37763","last_name":"Reuter","first_name":"Dirk","full_name":"Reuter, Dirk"},{"full_name":"Wieck, A D","last_name":"Wieck","first_name":"A D"},{"first_name":"A P","last_name":"Micolich","full_name":"Micolich, A P"}],"year":"2013","title":"The effect of (NH4)2Sxpassivation on the (311)A GaAs surface and its use in AlGaAs/GaAs heterostructure devices","intvolume":"        25","date_updated":"2022-01-06T07:03:31Z","publication_status":"published","language":[{"iso":"eng"}],"article_number":"325304","doi":"10.1088/0953-8984/25/32/325304"},{"status":"public","has_accepted_license":"1","_id":"4111","publisher":"IOP Publishing","volume":25,"user_id":"55706","ddc":["530"],"citation":{"mla":"Riedl, Thomas, et al. “Elemental Distribution, Solute Solubility and Defect Free Volume in Nanocrystalline Restricted-Equilibrium Cu–Ag Alloys.” <i>Journal of Physics: Condensed Matter</i>, vol. 25, no. 11, 115401 (9 pp.), IOP Publishing, 2013, doi:<a href=\"https://doi.org/10.1088/0953-8984/25/11/115401\">10.1088/0953-8984/25/11/115401</a>.","bibtex":"@article{Riedl_Kirchner_Eymann_Shariq_Schlesiger_Schmitz_Ruhnow_Kieback_2013, title={Elemental distribution, solute solubility and defect free volume in nanocrystalline restricted-equilibrium Cu–Ag alloys}, volume={25}, DOI={<a href=\"https://doi.org/10.1088/0953-8984/25/11/115401\">10.1088/0953-8984/25/11/115401</a>}, number={11115401 (9 pp.)}, journal={Journal of Physics: Condensed Matter}, publisher={IOP Publishing}, author={Riedl, Thomas and Kirchner, A and Eymann, K and Shariq, A and Schlesiger, R and Schmitz, G and Ruhnow, M and Kieback, B}, year={2013} }","ama":"Riedl T, Kirchner A, Eymann K, et al. Elemental distribution, solute solubility and defect free volume in nanocrystalline restricted-equilibrium Cu–Ag alloys. <i>Journal of Physics: Condensed Matter</i>. 2013;25(11). doi:<a href=\"https://doi.org/10.1088/0953-8984/25/11/115401\">10.1088/0953-8984/25/11/115401</a>","ieee":"T. Riedl <i>et al.</i>, “Elemental distribution, solute solubility and defect free volume in nanocrystalline restricted-equilibrium Cu–Ag alloys,” <i>Journal of Physics: Condensed Matter</i>, vol. 25, no. 11, 2013.","apa":"Riedl, T., Kirchner, A., Eymann, K., Shariq, A., Schlesiger, R., Schmitz, G., … Kieback, B. (2013). Elemental distribution, solute solubility and defect free volume in nanocrystalline restricted-equilibrium Cu–Ag alloys. <i>Journal of Physics: Condensed Matter</i>, <i>25</i>(11). <a href=\"https://doi.org/10.1088/0953-8984/25/11/115401\">https://doi.org/10.1088/0953-8984/25/11/115401</a>","short":"T. Riedl, A. Kirchner, K. Eymann, A. Shariq, R. Schlesiger, G. Schmitz, M. Ruhnow, B. Kieback, Journal of Physics: Condensed Matter 25 (2013).","chicago":"Riedl, Thomas, A Kirchner, K Eymann, A Shariq, R Schlesiger, G Schmitz, M Ruhnow, and B Kieback. “Elemental Distribution, Solute Solubility and Defect Free Volume in Nanocrystalline Restricted-Equilibrium Cu–Ag Alloys.” <i>Journal of Physics: Condensed Matter</i> 25, no. 11 (2013). <a href=\"https://doi.org/10.1088/0953-8984/25/11/115401\">https://doi.org/10.1088/0953-8984/25/11/115401</a>."},"file_date_updated":"2018-08-23T13:21:21Z","publication_identifier":{"issn":["0953-8984","1361-648X"]},"author":[{"last_name":"Riedl","first_name":"Thomas","full_name":"Riedl, Thomas","id":"36950"},{"last_name":"Kirchner","first_name":"A","full_name":"Kirchner, A"},{"first_name":"K","last_name":"Eymann","full_name":"Eymann, K"},{"full_name":"Shariq, A","last_name":"Shariq","first_name":"A"},{"full_name":"Schlesiger, R","last_name":"Schlesiger","first_name":"R"},{"last_name":"Schmitz","first_name":"G","full_name":"Schmitz, G"},{"full_name":"Ruhnow, M","first_name":"M","last_name":"Ruhnow"},{"full_name":"Kieback, B","first_name":"B","last_name":"Kieback"}],"year":"2013","title":"Elemental distribution, solute solubility and defect free volume in nanocrystalline restricted-equilibrium Cu–Ag alloys","article_type":"original","intvolume":"        25","publication_status":"published","date_updated":"2022-01-06T07:00:18Z","language":[{"iso":"eng"}],"article_number":"115401 (9 pp.)","doi":"10.1088/0953-8984/25/11/115401","publication":"Journal of Physics: Condensed Matter","issue":"11","abstract":[{"text":"In this article we study the elemental distribution and solute solubility in nanocrystalline alloys of immiscible components near restricted equilibrium for the case of the binary Cu–Ag system. As predicted from thermodynamic considerations, a grain boundary segregated monophase alloy is observed in the annealed mechanically alloyed state for low Ag content by using atom probe tomography. From the detected Ag solute grain boundary enrichment the\r\nsegregation free enthalpy is estimated to range between -25 and -49 kJ mol^-1 following the McLean equation, in agreement with values reported for coarse-grained Cu–Ag. The extension of the alloying range is described by a two-domain thermodynamic model that considers the excess free volume in the grain boundaries and the strain in the strain interior on the basis of the universal equation of state at negative pressure. To access the grain boundary volumetric strain experimentally, a method based on a combination of density measurements and microscopical quantification of closed pore areas is presented. Moreover, we apply x-ray diffraction line broadening analysis to determine the local strain amplitude, which yields a root-mean-square microstrain of \u00180.3% for a grain size of \u001830 nm. It is shown that the grain boundary free volume represents the major origin for the global solubility enhancement in\r\nnanocrystalline Cu–Ag at 503 K.","lang":"eng"}],"date_created":"2018-08-23T13:18:34Z","file":[{"date_created":"2018-08-23T13:21:21Z","creator":"hclaudia","success":1,"content_type":"application/pdf","file_id":"4112","date_updated":"2018-08-23T13:21:21Z","relation":"main_file","access_level":"closed","file_size":1116530,"file_name":"Elemental distribution, solute solubility and defect free volume in nanocrystalline restricted-equilibrium Cu-Ag alloys.pdf"}],"department":[{"_id":"15"},{"_id":"286"}],"type":"journal_article"},{"intvolume":"        24","date_updated":"2022-01-06T07:03:35Z","publication_status":"published","author":[{"full_name":"Schuster, J","last_name":"Schuster","first_name":"J"},{"last_name":"Kim","first_name":"T Y","full_name":"Kim, T Y"},{"full_name":"Batke, E","last_name":"Batke","first_name":"E"},{"id":"37763","full_name":"Reuter, Dirk","last_name":"Reuter","first_name":"Dirk"},{"last_name":"Wieck","first_name":"A D","full_name":"Wieck, A D"}],"publication_identifier":{"issn":["0953-8984","1361-648X"]},"year":"2012","title":"Photoluminescence lineshape features of carbon δ-doped GaAs heterostructures","doi":"10.1088/0953-8984/24/16/165801","language":[{"iso":"eng"}],"article_number":"165801","publication":"Journal of Physics: Condensed Matter","issue":"16","department":[{"_id":"15"},{"_id":"230"}],"type":"journal_article","date_created":"2019-01-31T10:53:35Z","status":"public","volume":24,"user_id":"42514","_id":"7325","publisher":"IOP Publishing","citation":{"short":"J. Schuster, T.Y. Kim, E. Batke, D. Reuter, A.D. Wieck, Journal of Physics: Condensed Matter 24 (2012).","chicago":"Schuster, J, T Y Kim, E Batke, Dirk Reuter, and A D Wieck. “Photoluminescence Lineshape Features of Carbon δ-Doped GaAs Heterostructures.” <i>Journal of Physics: Condensed Matter</i> 24, no. 16 (2012). <a href=\"https://doi.org/10.1088/0953-8984/24/16/165801\">https://doi.org/10.1088/0953-8984/24/16/165801</a>.","ieee":"J. Schuster, T. Y. Kim, E. Batke, D. Reuter, and A. D. Wieck, “Photoluminescence lineshape features of carbon δ-doped GaAs heterostructures,” <i>Journal of Physics: Condensed Matter</i>, vol. 24, no. 16, 2012.","apa":"Schuster, J., Kim, T. Y., Batke, E., Reuter, D., &#38; Wieck, A. D. (2012). Photoluminescence lineshape features of carbon δ-doped GaAs heterostructures. <i>Journal of Physics: Condensed Matter</i>, <i>24</i>(16). <a href=\"https://doi.org/10.1088/0953-8984/24/16/165801\">https://doi.org/10.1088/0953-8984/24/16/165801</a>","bibtex":"@article{Schuster_Kim_Batke_Reuter_Wieck_2012, title={Photoluminescence lineshape features of carbon δ-doped GaAs heterostructures}, volume={24}, DOI={<a href=\"https://doi.org/10.1088/0953-8984/24/16/165801\">10.1088/0953-8984/24/16/165801</a>}, number={16165801}, journal={Journal of Physics: Condensed Matter}, publisher={IOP Publishing}, author={Schuster, J and Kim, T Y and Batke, E and Reuter, Dirk and Wieck, A D}, year={2012} }","ama":"Schuster J, Kim TY, Batke E, Reuter D, Wieck AD. Photoluminescence lineshape features of carbon δ-doped GaAs heterostructures. <i>Journal of Physics: Condensed Matter</i>. 2012;24(16). doi:<a href=\"https://doi.org/10.1088/0953-8984/24/16/165801\">10.1088/0953-8984/24/16/165801</a>","mla":"Schuster, J., et al. “Photoluminescence Lineshape Features of Carbon δ-Doped GaAs Heterostructures.” <i>Journal of Physics: Condensed Matter</i>, vol. 24, no. 16, 165801, IOP Publishing, 2012, doi:<a href=\"https://doi.org/10.1088/0953-8984/24/16/165801\">10.1088/0953-8984/24/16/165801</a>."}},{"date_created":"2019-09-30T14:51:40Z","type":"journal_article","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"27"}],"publication":"Journal of Physics: Condensed Matter","citation":{"ieee":"M. Landmann, E. Rauls, and W. G. Schmidt, “The electronic structure and optical response of rutile, anatase and brookite TiO2,” <i>Journal of Physics: Condensed Matter</i>, vol. 24, Art. no. 195503, 2012, doi: <a href=\"https://doi.org/10.1088/0953-8984/24/19/195503\">10.1088/0953-8984/24/19/195503</a>.","apa":"Landmann, M., Rauls, E., &#38; Schmidt, W. G. (2012). The electronic structure and optical response of rutile, anatase and brookite TiO2. <i>Journal of Physics: Condensed Matter</i>, <i>24</i>, Article 195503. <a href=\"https://doi.org/10.1088/0953-8984/24/19/195503\">https://doi.org/10.1088/0953-8984/24/19/195503</a>","short":"M. Landmann, E. Rauls, W.G. Schmidt, Journal of Physics: Condensed Matter 24 (2012).","chicago":"Landmann, M, E Rauls, and Wolf Gero Schmidt. “The Electronic Structure and Optical Response of Rutile, Anatase and Brookite TiO2.” <i>Journal of Physics: Condensed Matter</i> 24 (2012). <a href=\"https://doi.org/10.1088/0953-8984/24/19/195503\">https://doi.org/10.1088/0953-8984/24/19/195503</a>.","mla":"Landmann, M., et al. “The Electronic Structure and Optical Response of Rutile, Anatase and Brookite TiO2.” <i>Journal of Physics: Condensed Matter</i>, vol. 24, 195503, 2012, doi:<a href=\"https://doi.org/10.1088/0953-8984/24/19/195503\">10.1088/0953-8984/24/19/195503</a>.","bibtex":"@article{Landmann_Rauls_Schmidt_2012, title={The electronic structure and optical response of rutile, anatase and brookite TiO2}, volume={24}, DOI={<a href=\"https://doi.org/10.1088/0953-8984/24/19/195503\">10.1088/0953-8984/24/19/195503</a>}, number={195503}, journal={Journal of Physics: Condensed Matter}, author={Landmann, M and Rauls, E and Schmidt, Wolf Gero}, year={2012} }","ama":"Landmann M, Rauls E, Schmidt WG. 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(2011). Spin resolved photoelectron spectroscopy of [Mn6IIICrIII]3 +single-molecule magnets and of manganese compounds as reference layers. <i>Journal of Physics: Condensed Matter</i>, <i>23</i>(26), Article 266001. <a href=\"https://doi.org/10.1088/0953-8984/23/26/266001\">https://doi.org/10.1088/0953-8984/23/26/266001</a>","ieee":"A. 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Schmidt, Journal of Physics: Condensed Matter 21 (2009).","chicago":"Blankenburg, S, and Wolf Gero Schmidt. “Glutamic Acid Adsorbed on Ag(110): Direct and Indirect Molecular Interactions.” <i>Journal of Physics: Condensed Matter</i> 21 (2009). <a href=\"https://doi.org/10.1088/0953-8984/21/18/185001\">https://doi.org/10.1088/0953-8984/21/18/185001</a>.","mla":"Blankenburg, S., and Wolf Gero Schmidt. “Glutamic Acid Adsorbed on Ag(110): Direct and Indirect Molecular Interactions.” <i>Journal of Physics: Condensed Matter</i>, vol. 21, 185001, 2009, doi:<a href=\"https://doi.org/10.1088/0953-8984/21/18/185001\">10.1088/0953-8984/21/18/185001</a>.","ama":"Blankenburg S, Schmidt WG. 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QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials. <i>Journal of Physics: Condensed Matter</i>, <i>21</i>(39), Article 395502. <a href=\"https://doi.org/10.1088/0953-8984/21/39/395502\">https://doi.org/10.1088/0953-8984/21/39/395502</a>","chicago":"Giannozzi, Paolo, Stefano Baroni, Nicola Bonini, Matteo Calandra, Roberto Car, Carlo Cavazzoni, Davide Ceresoli, et al. “QUANTUM ESPRESSO: A Modular and Open-Source Software Project for Quantum Simulations of Materials.” <i>Journal of Physics: Condensed Matter</i> 21, no. 39 (2009). <a href=\"https://doi.org/10.1088/0953-8984/21/39/395502\">https://doi.org/10.1088/0953-8984/21/39/395502</a>.","short":"P. Giannozzi, S. Baroni, N. Bonini, M. Calandra, R. Car, C. Cavazzoni, D. Ceresoli, G.L. Chiarotti, M. Cococcioni, I. Dabo, A. Dal Corso, S. de Gironcoli, S. Fabris, G. Fratesi, R. Gebauer, U. Gerstmann, C. Gougoussis, A. Kokalj, M. Lazzeri, L. Martin-Samos, N. Marzari, F. Mauri, R. 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QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials. <i>Journal of Physics: Condensed Matter</i>. 2009;21(39). doi:<a href=\"https://doi.org/10.1088/0953-8984/21/39/395502\">10.1088/0953-8984/21/39/395502</a>"},"volume":21,"user_id":"16199","_id":"13802","funded_apc":"1","status":"public"},{"publisher":"IOP Publishing","_id":"4557","user_id":"49428","volume":20,"status":"public","citation":{"mla":"Zrenner, Artur, et al. “Coherent Optoelectronics with Single Quantum Dots.” <i>Journal of Physics: Condensed Matter</i>, vol. 20, no. 45, 454210, IOP Publishing, 2008, doi:<a href=\"https://doi.org/10.1088/0953-8984/20/45/454210\">10.1088/0953-8984/20/45/454210</a>.","bibtex":"@article{Zrenner_Ester_Michaelis de Vasconcellos_Hübner_Lackmann_Stufler_Bichler_2008, title={Coherent optoelectronics with single quantum dots}, volume={20}, DOI={<a href=\"https://doi.org/10.1088/0953-8984/20/45/454210\">10.1088/0953-8984/20/45/454210</a>}, number={45454210}, journal={Journal of Physics: Condensed Matter}, publisher={IOP Publishing}, author={Zrenner, Artur and Ester, P and Michaelis de Vasconcellos, S and Hübner, M C and Lackmann, L and Stufler, S and Bichler, M}, year={2008} }","ama":"Zrenner A, Ester P, Michaelis de Vasconcellos S, et al. 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Bichler, Journal of Physics: Condensed Matter 20 (2008).","chicago":"Zrenner, Artur, P Ester, S Michaelis de Vasconcellos, M C Hübner, L Lackmann, S Stufler, and M Bichler. “Coherent Optoelectronics with Single Quantum Dots.” <i>Journal of Physics: Condensed Matter</i> 20, no. 45 (2008). <a href=\"https://doi.org/10.1088/0953-8984/20/45/454210\">https://doi.org/10.1088/0953-8984/20/45/454210</a>."},"article_number":"454210","language":[{"iso":"eng"}],"doi":"10.1088/0953-8984/20/45/454210","year":"2008","title":"Coherent optoelectronics with single quantum dots","author":[{"id":"606","orcid":"0000-0002-5190-0944","last_name":"Zrenner","first_name":"Artur","full_name":"Zrenner, Artur"},{"full_name":"Ester, P","last_name":"Ester","first_name":"P"},{"last_name":"Michaelis de Vasconcellos","first_name":"S","full_name":"Michaelis de Vasconcellos, S"},{"first_name":"M C","last_name":"Hübner","full_name":"Hübner, M C"},{"full_name":"Lackmann, L","first_name":"L","last_name":"Lackmann"},{"first_name":"S","last_name":"Stufler","full_name":"Stufler, S"},{"first_name":"M","last_name":"Bichler","full_name":"Bichler, M"}],"publication_identifier":{"issn":["0953-8984","1361-648X"]},"publication_status":"published","date_updated":"2022-01-06T07:01:09Z","article_type":"original","intvolume":"        20","date_created":"2018-09-20T13:51:11Z","type":"journal_article","department":[{"_id":"15"},{"_id":"230"},{"_id":"35"}],"publication":"Journal of Physics: Condensed Matter","issue":"45","abstract":[{"text":"The optical properties of semiconductor quantum dots are in many respects similar to those of atoms. Since quantum dots can be defined by state-of-the-art semiconductor technologies, they exhibit long-term stability and allow for well-controlled and efficient interactions with both optical and electrical fields. Resonant ps excitation of single quantum dot photodiodes leads to new classes of coherent optoelectronic functions and devices, which exhibit precise state preparation, phase-sensitive optical manipulations and the control of quantum states by electrical fields.","lang":"eng"}]},{"citation":{"ama":"Kaiser FJ, Kohler S, Hänggi P, et al. 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It is demonstrated that this five-wave-mixing technique can be used to measure the temporal evolution of the optical polarization and the photoexcited populations at the surface. The experimental results can be reproduced by numerical solutions of optical Bloch equations. The theoretical analysis allows one to investigate which dephasing times and relaxation processes are compatible with experiment. Furthermore, it is outlined how one can describe optical nonlinearities at surfaces using a microscopic theory within the framework of semiconductor Bloch equations."}],"language":[{"iso":"eng"}],"doi":"10.1088/0953-8984/17/8/003","title":"Femtosecond time-resolved five-wave mixing at silicon surfaces","year":"2005","publication_identifier":{"issn":["0953-8984","1361-648X"]},"author":[{"id":"344","first_name":"Torsten","last_name":"Meier","orcid":"0000-0001-8864-2072","full_name":"Meier, Torsten"},{"full_name":"Reichelt, Matthias","first_name":"Matthias","last_name":"Reichelt","id":"138"},{"last_name":"Koch","first_name":"S W","full_name":"Koch, S W"},{"full_name":"Höfer, U","last_name":"Höfer","first_name":"U"}],"publication_status":"published","date_updated":"2023-04-24T06:14:12Z","intvolume":"        17"},{"status":"public","page":"S221-S244","_id":"23499","user_id":"49063","volume":17,"citation":{"mla":"Meier, Torsten, et al. “Femtosecond Time-Resolved Five-Wave Mixing at Silicon Surfaces.” <i>Journal of Physics: Condensed Matter</i>, vol. 17, no. 8, 2005, pp. S221–44, doi:<a href=\"https://doi.org/10.1088/0953-8984/17/8/003\">10.1088/0953-8984/17/8/003</a>.","ama":"Meier T, Reichelt M, Koch SW, Höfer U. 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In the experiments, the diffracted second harmonic generated by sequences of ultrashort laser pulses is detected as a function of the time delay between the pulses. It is demonstrated that this five-wave-mixing technique can be used to measure the temporal evolution of the optical polarization and the photoexcited populations at the surface. The experimental results can be reproduced by numerical solutions of optical Bloch equations. The theoretical analysis allows one to investigate which dephasing times and relaxation processes are compatible with experiment. Furthermore, it is outlined how one can describe optical nonlinearities at surfaces using a microscopic theory within the framework of semiconductor Bloch equations."}],"extern":"1","date_created":"2021-08-24T09:21:43Z","type":"journal_article","department":[{"_id":"15"},{"_id":"170"},{"_id":"293"}]}]