First-principles calculations were combined with scanning tunneling microscopy (STM) measurements to analyze the adsorption of diindenoperylene (DIP) molecules on Cu(111) surfaces.
","lang":"eng"}],"citation":{"mla":"Aldahhak, Hazem, et al. “Structure Formation in Diindenoperylene Thin Films on Copper(111).” Physical Chemistry Chemical Physics, vol. 17, 2015, pp. 8776–83, doi:10.1039/c4cp05271d.","bibtex":"@article{Aldahhak_Matencio_Barrena_Ocal_Schmidt_Rauls_2015, title={Structure formation in diindenoperylene thin films on copper(111)}, volume={17}, DOI={10.1039/c4cp05271d}, journal={Physical Chemistry Chemical Physics}, author={Aldahhak, Hazem and Matencio, S. and Barrena, E. and Ocal, C. and Schmidt, Wolf Gero and Rauls, E.}, year={2015}, pages={8776–8783} }","ama":"Aldahhak H, Matencio S, Barrena E, Ocal C, Schmidt WG, Rauls E. Structure formation in diindenoperylene thin films on copper(111). Physical Chemistry Chemical Physics. 2015;17:8776-8783. doi:10.1039/c4cp05271d","ieee":"H. Aldahhak, S. Matencio, E. Barrena, C. Ocal, W. G. Schmidt, and E. Rauls, “Structure formation in diindenoperylene thin films on copper(111),” Physical Chemistry Chemical Physics, vol. 17, pp. 8776–8783, 2015, doi: 10.1039/c4cp05271d.","apa":"Aldahhak, H., Matencio, S., Barrena, E., Ocal, C., Schmidt, W. G., & Rauls, E. (2015). Structure formation in diindenoperylene thin films on copper(111). Physical Chemistry Chemical Physics, 17, 8776–8783. https://doi.org/10.1039/c4cp05271d","chicago":"Aldahhak, Hazem, S. Matencio, E. Barrena, C. Ocal, Wolf Gero Schmidt, and E. Rauls. “Structure Formation in Diindenoperylene Thin Films on Copper(111).” Physical Chemistry Chemical Physics 17 (2015): 8776–83. https://doi.org/10.1039/c4cp05271d.","short":"H. Aldahhak, S. Matencio, E. Barrena, C. Ocal, W.G. Schmidt, E. Rauls, Physical Chemistry Chemical Physics 17 (2015) 8776–8783."},"publication":"Physical Chemistry Chemical Physics","volume":17,"user_id":"16199","doi":"10.1039/c4cp05271d","_id":"13503","language":[{"iso":"eng"}],"page":"8776-8783","intvolume":" 17","publication_status":"published","date_updated":"2025-12-05T10:37:42Z","author":[{"full_name":"Aldahhak, Hazem","first_name":"Hazem","last_name":"Aldahhak"},{"last_name":"Matencio","first_name":"S.","full_name":"Matencio, S."},{"full_name":"Barrena, E.","last_name":"Barrena","first_name":"E."},{"first_name":"C.","last_name":"Ocal","full_name":"Ocal, C."},{"id":"468","full_name":"Schmidt, Wolf Gero","first_name":"Wolf Gero","last_name":"Schmidt","orcid":"0000-0002-2717-5076"},{"first_name":"E.","last_name":"Rauls","full_name":"Rauls, E."}],"publication_identifier":{"issn":["1463-9076","1463-9084"]},"status":"public","title":"Structure formation in diindenoperylene thin films on copper(111)","year":"2015"},{"date_created":"2019-09-30T12:50:03Z","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"}],"type":"journal_article","citation":{"apa":"Thissen, P., Fuchs, E., Roodenko, K., Peixoto, T., Batchelor, B., Smith, D., Schmidt, W. G., & Chabal, Y. (2015). Nanopatterning on H-Terminated Si(111) Explained as Dynamic Equilibrium of the Chemical Reaction with Methanol. The Journal of Physical Chemistry C, 119, 16947–16953. https://doi.org/10.1021/acs.jpcc.5b03816","ieee":"P. Thissen et al., “Nanopatterning on H-Terminated Si(111) Explained as Dynamic Equilibrium of the Chemical Reaction with Methanol,” The Journal of Physical Chemistry C, vol. 119, pp. 16947–16953, 2015, doi: 10.1021/acs.jpcc.5b03816.","chicago":"Thissen, Peter, Ehud Fuchs, Katy Roodenko, Tatiana Peixoto, Ben Batchelor, Dennis Smith, Wolf Gero Schmidt, and Yves Chabal. “Nanopatterning on H-Terminated Si(111) Explained as Dynamic Equilibrium of the Chemical Reaction with Methanol.” The Journal of Physical Chemistry C 119 (2015): 16947–53. https://doi.org/10.1021/acs.jpcc.5b03816.","short":"P. Thissen, E. Fuchs, K. Roodenko, T. Peixoto, B. Batchelor, D. Smith, W.G. Schmidt, Y. Chabal, The Journal of Physical Chemistry C 119 (2015) 16947–16953.","mla":"Thissen, Peter, et al. “Nanopatterning on H-Terminated Si(111) Explained as Dynamic Equilibrium of the Chemical Reaction with Methanol.” The Journal of Physical Chemistry C, vol. 119, 2015, pp. 16947–53, doi:10.1021/acs.jpcc.5b03816.","ama":"Thissen P, Fuchs E, Roodenko K, et al. Nanopatterning on H-Terminated Si(111) Explained as Dynamic Equilibrium of the Chemical Reaction with Methanol. The Journal of Physical Chemistry C. 2015;119:16947-16953. doi:10.1021/acs.jpcc.5b03816","bibtex":"@article{Thissen_Fuchs_Roodenko_Peixoto_Batchelor_Smith_Schmidt_Chabal_2015, title={Nanopatterning on H-Terminated Si(111) Explained as Dynamic Equilibrium of the Chemical Reaction with Methanol}, volume={119}, DOI={10.1021/acs.jpcc.5b03816}, journal={The Journal of Physical Chemistry C}, author={Thissen, Peter and Fuchs, Ehud and Roodenko, Katy and Peixoto, Tatiana and Batchelor, Ben and Smith, Dennis and Schmidt, Wolf Gero and Chabal, Yves}, year={2015}, pages={16947–16953} }"},"publication":"The Journal of Physical Chemistry C","_id":"13499","language":[{"iso":"eng"}],"page":"16947-16953","volume":119,"user_id":"16199","doi":"10.1021/acs.jpcc.5b03816","publication_identifier":{"issn":["1932-7447","1932-7455"]},"author":[{"first_name":"Peter","last_name":"Thissen","full_name":"Thissen, Peter"},{"full_name":"Fuchs, Ehud","last_name":"Fuchs","first_name":"Ehud"},{"full_name":"Roodenko, Katy","first_name":"Katy","last_name":"Roodenko"},{"first_name":"Tatiana","last_name":"Peixoto","full_name":"Peixoto, Tatiana"},{"full_name":"Batchelor, Ben","first_name":"Ben","last_name":"Batchelor"},{"last_name":"Smith","first_name":"Dennis","full_name":"Smith, Dennis"},{"id":"468","full_name":"Schmidt, Wolf Gero","last_name":"Schmidt","first_name":"Wolf Gero","orcid":"0000-0002-2717-5076"},{"full_name":"Chabal, Yves","first_name":"Yves","last_name":"Chabal"}],"title":"Nanopatterning on H-Terminated Si(111) Explained as Dynamic Equilibrium of the Chemical Reaction with Methanol","year":"2015","status":"public","intvolume":" 119","publication_status":"published","date_updated":"2025-12-05T10:39:10Z"},{"date_created":"2019-09-30T13:24:00Z","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"429"},{"_id":"27"}],"type":"journal_article","citation":{"ieee":"M. Landmann, E. Rauls, W. G. Schmidt, M. D. Neumann, E. Speiser, and N. Esser, “GaNm-plane: Atomic structure, surface bands, and optical response,” Physical Review B, vol. 91, 2015, doi: 10.1103/physrevb.91.035302.","apa":"Landmann, M., Rauls, E., Schmidt, W. G., Neumann, M. D., Speiser, E., & Esser, N. (2015). GaNm-plane: Atomic structure, surface bands, and optical response. Physical Review B, 91. https://doi.org/10.1103/physrevb.91.035302","short":"M. Landmann, E. Rauls, W.G. Schmidt, M.D. Neumann, E. Speiser, N. Esser, Physical Review B 91 (2015).","chicago":"Landmann, M., E. Rauls, Wolf Gero Schmidt, M. D. Neumann, E. Speiser, and N. Esser. “GaNm-Plane: Atomic Structure, Surface Bands, and Optical Response.” Physical Review B 91 (2015). https://doi.org/10.1103/physrevb.91.035302.","mla":"Landmann, M., et al. “GaNm-Plane: Atomic Structure, Surface Bands, and Optical Response.” Physical Review B, vol. 91, 2015, doi:10.1103/physrevb.91.035302.","bibtex":"@article{Landmann_Rauls_Schmidt_Neumann_Speiser_Esser_2015, title={GaNm-plane: Atomic structure, surface bands, and optical response}, volume={91}, DOI={10.1103/physrevb.91.035302}, journal={Physical Review B}, author={Landmann, M. and Rauls, E. and Schmidt, Wolf Gero and Neumann, M. D. and Speiser, E. and Esser, N.}, year={2015} }","ama":"Landmann M, Rauls E, Schmidt WG, Neumann MD, Speiser E, Esser N. GaNm-plane: Atomic structure, surface bands, and optical response. Physical Review B. 2015;91. doi:10.1103/physrevb.91.035302"},"publication":"Physical Review B","project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"},{"_id":"53","name":"TRR 142"},{"_id":"55","name":"TRR 142 - Project Area B"},{"name":"TRR 142 - Subproject B1","_id":"66"},{"name":"TRR 142 - Subproject B4","_id":"69"}],"_id":"13507","language":[{"iso":"eng"}],"volume":91,"user_id":"16199","doi":"10.1103/physrevb.91.035302","publication_identifier":{"issn":["1098-0121","1550-235X"]},"author":[{"full_name":"Landmann, M.","first_name":"M.","last_name":"Landmann"},{"full_name":"Rauls, E.","first_name":"E.","last_name":"Rauls"},{"full_name":"Schmidt, Wolf Gero","first_name":"Wolf Gero","last_name":"Schmidt","orcid":"0000-0002-2717-5076","id":"468"},{"full_name":"Neumann, M. D.","last_name":"Neumann","first_name":"M. D."},{"last_name":"Speiser","first_name":"E.","full_name":"Speiser, E."},{"full_name":"Esser, N.","last_name":"Esser","first_name":"N."}],"title":"GaNm-plane: Atomic structure, surface bands, and optical response","status":"public","year":"2015","intvolume":" 91","publication_status":"published","date_updated":"2025-12-05T10:35:47Z"},{"issue":"21-22","publication":"Journal of Computational Chemistry","date_created":"2019-09-30T12:48:40Z","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"27"}],"type":"journal_article","author":[{"full_name":"Rohrmüller, Martin","last_name":"Rohrmüller","first_name":"Martin"},{"full_name":"Hoffmann, Alexander","first_name":"Alexander","last_name":"Hoffmann"},{"full_name":"Thierfelder, Christian","last_name":"Thierfelder","first_name":"Christian"},{"full_name":"Herres-Pawlis, Sonja","first_name":"Sonja","last_name":"Herres-Pawlis"},{"last_name":"Schmidt","orcid":"0000-0002-2717-5076","first_name":"Wolf Gero","full_name":"Schmidt, Wolf Gero","id":"468"}],"publication_identifier":{"issn":["0192-8651"]},"year":"2015","title":"The Cu2O2torture track for a real-life system: [Cu2(btmgp)2O2]2+oxo and peroxo species in density functional calculations†","intvolume":" 36","publication_status":"published","date_updated":"2025-12-05T10:39:31Z","language":[{"iso":"eng"}],"doi":"10.1002/jcc.23983","citation":{"mla":"Rohrmüller, Martin, et al. “The Cu2O2torture Track for a Real-Life System: [Cu2(Btmgp)2O2]2+oxo and Peroxo Species in Density Functional Calculations†.” Journal of Computational Chemistry, vol. 36, no. 21–22, 2015, pp. 1672–85, doi:10.1002/jcc.23983.","bibtex":"@article{Rohrmüller_Hoffmann_Thierfelder_Herres-Pawlis_Schmidt_2015, title={The Cu2O2torture track for a real-life system: [Cu2(btmgp)2O2]2+oxo and peroxo species in density functional calculations†}, volume={36}, DOI={10.1002/jcc.23983}, number={21–22}, journal={Journal of Computational Chemistry}, author={Rohrmüller, Martin and Hoffmann, Alexander and Thierfelder, Christian and Herres-Pawlis, Sonja and Schmidt, Wolf Gero}, year={2015}, pages={1672–1685} }","ama":"Rohrmüller M, Hoffmann A, Thierfelder C, Herres-Pawlis S, Schmidt WG. The Cu2O2torture track for a real-life system: [Cu2(btmgp)2O2]2+oxo and peroxo species in density functional calculations†. Journal of Computational Chemistry. 2015;36(21-22):1672-1685. doi:10.1002/jcc.23983","ieee":"M. Rohrmüller, A. Hoffmann, C. Thierfelder, S. Herres-Pawlis, and W. G. Schmidt, “The Cu2O2torture track for a real-life system: [Cu2(btmgp)2O2]2+oxo and peroxo species in density functional calculations†,” Journal of Computational Chemistry, vol. 36, no. 21–22, pp. 1672–1685, 2015, doi: 10.1002/jcc.23983.","apa":"Rohrmüller, M., Hoffmann, A., Thierfelder, C., Herres-Pawlis, S., & Schmidt, W. G. (2015). The Cu2O2torture track for a real-life system: [Cu2(btmgp)2O2]2+oxo and peroxo species in density functional calculations†. Journal of Computational Chemistry, 36(21–22), 1672–1685. https://doi.org/10.1002/jcc.23983","short":"M. Rohrmüller, A. Hoffmann, C. Thierfelder, S. Herres-Pawlis, W.G. Schmidt, Journal of Computational Chemistry 36 (2015) 1672–1685.","chicago":"Rohrmüller, Martin, Alexander Hoffmann, Christian Thierfelder, Sonja Herres-Pawlis, and Wolf Gero Schmidt. “The Cu2O2torture Track for a Real-Life System: [Cu2(Btmgp)2O2]2+oxo and Peroxo Species in Density Functional Calculations†.” Journal of Computational Chemistry 36, no. 21–22 (2015): 1672–85. https://doi.org/10.1002/jcc.23983."},"project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"status":"public","funded_apc":"1","_id":"13498","page":"1672-1685","volume":36,"user_id":"16199"},{"publication":"Surface Science","citation":{"bibtex":"@article{Baghbanpourasl_Schmidt_Denk_Cobet_Hohage_Zeppenfeld_Hingerl_2015, title={Water adsorbate influence on the Cu(110) surface optical response}, volume={641}, DOI={10.1016/j.susc.2015.07.020}, journal={Surface Science}, author={Baghbanpourasl, Amirreza and Schmidt, Wolf Gero and Denk, Mariella and Cobet, Christoph and Hohage, Michael and Zeppenfeld, Peter and Hingerl, Kurt}, year={2015}, pages={231–236} }","ama":"Baghbanpourasl A, Schmidt WG, Denk M, et al. Water adsorbate influence on the Cu(110) surface optical response. Surface Science. 2015;641:231-236. doi:10.1016/j.susc.2015.07.020","mla":"Baghbanpourasl, Amirreza, et al. “Water Adsorbate Influence on the Cu(110) Surface Optical Response.” Surface Science, vol. 641, 2015, pp. 231–36, doi:10.1016/j.susc.2015.07.020.","short":"A. Baghbanpourasl, W.G. Schmidt, M. Denk, C. Cobet, M. Hohage, P. Zeppenfeld, K. Hingerl, Surface Science 641 (2015) 231–236.","chicago":"Baghbanpourasl, Amirreza, Wolf Gero Schmidt, Mariella Denk, Christoph Cobet, Michael Hohage, Peter Zeppenfeld, and Kurt Hingerl. “Water Adsorbate Influence on the Cu(110) Surface Optical Response.” Surface Science 641 (2015): 231–36. https://doi.org/10.1016/j.susc.2015.07.020.","ieee":"A. Baghbanpourasl et al., “Water adsorbate influence on the Cu(110) surface optical response,” Surface Science, vol. 641, pp. 231–236, 2015, doi: 10.1016/j.susc.2015.07.020.","apa":"Baghbanpourasl, A., Schmidt, W. G., Denk, M., Cobet, C., Hohage, M., Zeppenfeld, P., & Hingerl, K. (2015). Water adsorbate influence on the Cu(110) surface optical response. Surface Science, 641, 231–236. https://doi.org/10.1016/j.susc.2015.07.020"},"project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"date_created":"2019-09-30T12:45:59Z","type":"journal_article","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"27"}],"status":"public","year":"2015","title":"Water adsorbate influence on the Cu(110) surface optical response","author":[{"full_name":"Baghbanpourasl, Amirreza","first_name":"Amirreza","last_name":"Baghbanpourasl"},{"full_name":"Schmidt, Wolf Gero","last_name":"Schmidt","orcid":"0000-0002-2717-5076","first_name":"Wolf Gero","id":"468"},{"full_name":"Denk, Mariella","first_name":"Mariella","last_name":"Denk"},{"full_name":"Cobet, Christoph","first_name":"Christoph","last_name":"Cobet"},{"full_name":"Hohage, Michael","last_name":"Hohage","first_name":"Michael"},{"full_name":"Zeppenfeld, Peter","last_name":"Zeppenfeld","first_name":"Peter"},{"full_name":"Hingerl, Kurt","last_name":"Hingerl","first_name":"Kurt"}],"publication_identifier":{"issn":["0039-6028"]},"publication_status":"published","date_updated":"2025-12-05T10:39:53Z","intvolume":" 641","page":"231-236","_id":"13497","language":[{"iso":"eng"}],"user_id":"16199","doi":"10.1016/j.susc.2015.07.020","volume":641},{"project":[{"name":"TRR 142","_id":"53"},{"name":"TRR 142 - Project Area A","_id":"54"},{"_id":"60","name":"TRR 142 - Subproject A3"},{"_id":"53","name":"TRR 142: Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen"}],"citation":{"chicago":"Heinze, Dirk, Dominik Breddermann, Artur Zrenner, and Stefan Schumacher. “A Quantum Dot Single-Photon Source with on-the-Fly All-Optical Polarization Control and Timed Emission.” Nature Communications 6, no. 1 (2015). https://doi.org/10.1038/ncomms9473.","short":"D. Heinze, D. Breddermann, A. Zrenner, S. Schumacher, Nature Communications 6 (2015).","ama":"Heinze D, Breddermann D, Zrenner A, Schumacher S. A quantum dot single-photon source with on-the-fly all-optical polarization control and timed emission. Nature Communications. 2015;6(1). doi:10.1038/ncomms9473","bibtex":"@article{Heinze_Breddermann_Zrenner_Schumacher_2015, title={A quantum dot single-photon source with on-the-fly all-optical polarization control and timed emission}, volume={6}, DOI={10.1038/ncomms9473}, number={1}, journal={Nature Communications}, publisher={Springer Nature}, author={Heinze, Dirk and Breddermann, Dominik and Zrenner, Artur and Schumacher, Stefan}, year={2015} }","apa":"Heinze, D., Breddermann, D., Zrenner, A., & Schumacher, S. (2015). A quantum dot single-photon source with on-the-fly all-optical polarization control and timed emission. Nature Communications, 6(1). https://doi.org/10.1038/ncomms9473","mla":"Heinze, Dirk, et al. “A Quantum Dot Single-Photon Source with on-the-Fly All-Optical Polarization Control and Timed Emission.” Nature Communications, vol. 6, no. 1, Springer Nature, 2015, doi:10.1038/ncomms9473.","ieee":"D. Heinze, D. Breddermann, A. Zrenner, and S. Schumacher, “A quantum dot single-photon source with on-the-fly all-optical polarization control and timed emission,” Nature Communications, vol. 6, no. 1, 2015, doi: 10.1038/ncomms9473."},"status":"public","user_id":"16199","volume":6,"publisher":"Springer Nature","_id":"4330","abstract":[{"text":"Sources of single photons are key elements for applications in quantum information science.\r\nAmong the different sources available, semiconductor quantum dots excel with their\r\nintegrability in semiconductor on-chip solutions and the potential that photon emission can\r\nbe triggered on demand. Usually, the photon is emitted from a single-exciton ground state.\r\nPolarization of the photon and time of emission are either probabilistic or pre-determined by\r\nelectronic properties of the system. Here, we study the direct two-photon emission from the\r\nbiexciton. The two-photon emission is enabled by a laser pulse driving the system into a\r\nvirtual state inside the band gap. From this intermediate state, the single photon of interest\r\nis then spontaneously emitted. We show that emission through this higher-order\r\ntransition provides a versatile approach to generate a single photon. Through the driving\r\nlaser pulse, polarization state, frequency and emission time of the photon can be controlled\r\non-the-fly.","lang":"eng"}],"issue":"1","publication":"Nature Communications","type":"journal_article","department":[{"_id":"15"},{"_id":"230"},{"_id":"35"},{"_id":"170"},{"_id":"429"}],"date_created":"2018-08-30T13:07:30Z","date_updated":"2025-12-05T14:45:38Z","publication_status":"published","intvolume":" 6","article_type":"original","year":"2015","title":"A quantum dot single-photon source with on-the-fly all-optical polarization control and timed emission","author":[{"full_name":"Heinze, Dirk","first_name":"Dirk","last_name":"Heinze"},{"full_name":"Breddermann, Dominik","last_name":"Breddermann","first_name":"Dominik"},{"id":"606","last_name":"Zrenner","orcid":"0000-0002-5190-0944","first_name":"Artur","full_name":"Zrenner, Artur"},{"id":"27271","first_name":"Stefan","orcid":"0000-0003-4042-4951","last_name":"Schumacher","full_name":"Schumacher, Stefan"}],"publication_identifier":{"issn":["2041-1723"]},"doi":"10.1038/ncomms9473","language":[{"iso":"eng"}]},{"_id":"22946","user_id":"16199","volume":27,"status":"public","citation":{"apa":"Liu, H., Heinze, D. F., Thanh Duc, H., Schumacher, S., & Meier, T. (2015). Curvature effects in the band structure of carbon nanotubes including spin–orbit coupling. Journal of Physics: Condensed Matter, 27(44), Article 445501. https://doi.org/10.1088/0953-8984/27/44/445501","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,” Journal of Physics: Condensed Matter, vol. 27, no. 44, Art. no. 445501, 2015, doi: 10.1088/0953-8984/27/44/445501.","short":"H. Liu, D.F. Heinze, H. Thanh Duc, S. Schumacher, T. Meier, Journal of Physics: Condensed Matter 27 (2015).","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.” Journal of Physics: Condensed Matter 27, no. 44 (2015). https://doi.org/10.1088/0953-8984/27/44/445501.","mla":"Liu, Hong, et al. “Curvature Effects in the Band Structure of Carbon Nanotubes Including Spin–Orbit Coupling.” Journal of Physics: Condensed Matter, vol. 27, no. 44, 445501, 2015, doi:10.1088/0953-8984/27/44/445501.","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. Journal of Physics: Condensed Matter. 2015;27(44). doi:10.1088/0953-8984/27/44/445501","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={10.1088/0953-8984/27/44/445501}, 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} }"},"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","publication_identifier":{"issn":["0953-8984","1361-648X"]},"author":[{"full_name":"Liu, Hong","first_name":"Hong","last_name":"Liu"},{"full_name":"Heinze, Dirk Florian","last_name":"Heinze","first_name":"Dirk Florian","id":"10904"},{"last_name":"Thanh Duc","first_name":"Huynh","full_name":"Thanh Duc, Huynh"},{"id":"27271","last_name":"Schumacher","orcid":"0000-0003-4042-4951","first_name":"Stefan","full_name":"Schumacher, Stefan"},{"id":"344","first_name":"Torsten","last_name":"Meier","orcid":"0000-0001-8864-2072","full_name":"Meier, Torsten"}],"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":[{"lang":"eng","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 $\\text{mod}(2n+m,3)$ ."}]},{"project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"},{"name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"citation":{"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={10.1088/0953-8984/27/44/445501}, 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. Journal of Physics: Condensed Matter. 2015;27(44). doi:10.1088/0953-8984/27/44/445501","mla":"Liu, Hong, et al. “Curvature Effects in the Band Structure of Carbon Nanotubes Including Spin–Orbit Coupling.” Journal of Physics: Condensed Matter, vol. 27, no. 44, 445501, 2015, doi:10.1088/0953-8984/27/44/445501.","short":"H. Liu, D.F. Heinze, H. Thanh Duc, S. Schumacher, T. Meier, Journal of Physics: Condensed Matter 27 (2015).","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.” Journal of Physics: Condensed Matter 27, no. 44 (2015). https://doi.org/10.1088/0953-8984/27/44/445501.","ieee":"H. Liu, D. F. Heinze, H. Thanh Duc, S. Schumacher, and T. 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