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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)."},"type":"journal_article","year":"2017","funded_apc":"1","issue":"46","article_number":"465901","intvolume":" 29","_id":"13803"},{"_id":"13922","intvolume":" 27","article_number":"445501","issue":"44","funded_apc":"1","type":"journal_article","year":"2015","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} }","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.","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.","ama":"Liu H, Heinze DF, Thanh Duc H, Schumacher S, Meier T. 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Meier, Journal of Physics: Condensed Matter 27 (2015)."},"user_id":"49063","author":[{"last_name":"Liu","full_name":"Liu, Hong","first_name":"Hong"},{"first_name":"Dirk Florian","full_name":"Heinze, Dirk Florian","last_name":"Heinze","id":"10904"},{"full_name":"Thanh Duc, Huynh","first_name":"Huynh","last_name":"Thanh Duc"},{"id":"27271","last_name":"Schumacher","full_name":"Schumacher, Stefan","orcid":"0000-0003-4042-4951","first_name":"Stefan"},{"full_name":"Meier, Torsten","orcid":"0000-0001-8864-2072","first_name":"Torsten","id":"344","last_name":"Meier"}],"publication":"Journal of Physics: Condensed Matter","volume":27,"status":"public","date_created":"2019-10-18T08:55:01Z","date_updated":"2023-03-26T21:11:50Z","doi":"10.1088/0953-8984/27/44/445501","language":[{"iso":"eng"}],"title":"Curvature effects in the band structure of carbon nanotubes including spin–orbit coupling","department":[{"_id":"15"},{"_id":"170"},{"_id":"293"},{"_id":"297"},{"_id":"230"}],"publication_identifier":{"issn":["0953-8984","1361-648X"]},"publication_status":"published","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"}]},{"title":"Curvature effects in the band structure of carbon nanotubes including spin–orbit coupling","publication_identifier":{"issn":["0953-8984","1361-648X"]},"publication_status":"published","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"}],"department":[{"_id":"15"},{"_id":"170"},{"_id":"293"},{"_id":"297"},{"_id":"230"}],"doi":"10.1088/0953-8984/27/44/445501","date_updated":"2023-04-16T21:25:28Z","language":[{"iso":"eng"}],"user_id":"49063","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"}],"volume":27,"status":"public","date_created":"2021-08-06T08:49:10Z","author":[{"first_name":"Hong","full_name":"Liu, Hong","last_name":"Liu"},{"id":"10904","last_name":"Heinze","full_name":"Heinze, Dirk Florian","first_name":"Dirk Florian"},{"last_name":"Thanh Duc","first_name":"Huynh","full_name":"Thanh Duc, Huynh"},{"first_name":"Stefan","orcid":"0000-0003-4042-4951","full_name":"Schumacher, Stefan","last_name":"Schumacher","id":"27271"},{"full_name":"Meier, Torsten","orcid":"0000-0001-8864-2072","first_name":"Torsten","id":"344","last_name":"Meier"}],"publication":"Journal of Physics: Condensed Matter","article_number":"445501","issue":"44","_id":"22946","intvolume":" 27","citation":{"ieee":"H. Liu, D. F. Heinze, H. Thanh Duc, S. Schumacher, and T. 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The effect of (NH4)2Sxpassivation on the (311)A GaAs surface and its use in AlGaAs/GaAs heterostructure devices. Journal of Physics: Condensed Matter. 2013;25(32). doi:10.1088/0953-8984/25/32/325304","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. Journal of Physics: Condensed Matter, 25(32). https://doi.org/10.1088/0953-8984/25/32/325304","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.” Journal of Physics: Condensed Matter 25, no. 32 (2013). https://doi.org/10.1088/0953-8984/25/32/325304.","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={10.1088/0953-8984/25/32/325304}, 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} }","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.” Journal of Physics: Condensed Matter, vol. 25, no. 32, 325304, IOP Publishing, 2013, doi:10.1088/0953-8984/25/32/325304.","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).","ieee":"D. J. Carrad et al., “The effect of (NH4)2Sxpassivation on the (311)A GaAs surface and its use in AlGaAs/GaAs heterostructure devices,” Journal of Physics: Condensed Matter, vol. 25, no. 32, 2013."},"title":"The effect of (NH4)2Sxpassivation on the (311)A GaAs surface and its use in AlGaAs/GaAs heterostructure devices","publication_status":"published","publication_identifier":{"issn":["0953-8984","1361-648X"]},"department":[{"_id":"15"},{"_id":"230"}],"doi":"10.1088/0953-8984/25/32/325304","date_updated":"2022-01-06T07:03:31Z","language":[{"iso":"eng"}]},{"date_updated":"2022-01-06T07:00:18Z","doi":"10.1088/0953-8984/25/11/115401","language":[{"iso":"eng"}],"title":"Elemental distribution, solute solubility and defect free volume in nanocrystalline restricted-equilibrium Cu–Ag alloys","department":[{"_id":"15"},{"_id":"286"}],"publication_status":"published","publication_identifier":{"issn":["0953-8984","1361-648X"]},"intvolume":" 25","_id":"4111","issue":"11","article_number":"115401 (9 pp.)","type":"journal_article","year":"2013","citation":{"ieee":"T. Riedl et al., “Elemental distribution, solute solubility and defect free volume in nanocrystalline restricted-equilibrium Cu–Ag alloys,” Journal of Physics: Condensed Matter, vol. 25, no. 11, 2013.","short":"T. Riedl, A. Kirchner, K. Eymann, A. Shariq, R. Schlesiger, G. Schmitz, M. Ruhnow, B. Kieback, Journal of Physics: Condensed Matter 25 (2013).","mla":"Riedl, Thomas, et al. “Elemental Distribution, Solute Solubility and Defect Free Volume in Nanocrystalline Restricted-Equilibrium Cu–Ag Alloys.” Journal of Physics: Condensed Matter, vol. 25, no. 11, 115401 (9 pp.), IOP Publishing, 2013, doi:10.1088/0953-8984/25/11/115401.","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={10.1088/0953-8984/25/11/115401}, 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. Journal of Physics: Condensed Matter. 2013;25(11). doi:10.1088/0953-8984/25/11/115401","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. Journal of Physics: Condensed Matter, 25(11). https://doi.org/10.1088/0953-8984/25/11/115401","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.” Journal of Physics: Condensed Matter 25, no. 11 (2013). https://doi.org/10.1088/0953-8984/25/11/115401."},"article_type":"original","abstract":[{"lang":"eng","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."}],"user_id":"55706","ddc":["530"],"file":[{"access_level":"closed","date_created":"2018-08-23T13:21:21Z","file_name":"Elemental distribution, solute solubility and defect free volume in nanocrystalline restricted-equilibrium Cu-Ag alloys.pdf","content_type":"application/pdf","date_updated":"2018-08-23T13:21:21Z","relation":"main_file","success":1,"file_size":1116530,"file_id":"4112","creator":"hclaudia"}],"publisher":"IOP Publishing","author":[{"first_name":"Thomas","full_name":"Riedl, Thomas","last_name":"Riedl","id":"36950"},{"full_name":"Kirchner, A","first_name":"A","last_name":"Kirchner"},{"full_name":"Eymann, K","first_name":"K","last_name":"Eymann"},{"last_name":"Shariq","first_name":"A","full_name":"Shariq, A"},{"full_name":"Schlesiger, R","first_name":"R","last_name":"Schlesiger"},{"last_name":"Schmitz","first_name":"G","full_name":"Schmitz, G"},{"last_name":"Ruhnow","first_name":"M","full_name":"Ruhnow, M"},{"full_name":"Kieback, B","first_name":"B","last_name":"Kieback"}],"file_date_updated":"2018-08-23T13:21:21Z","publication":"Journal of Physics: Condensed Matter","status":"public","has_accepted_license":"1","date_created":"2018-08-23T13:18:34Z","volume":25},{"date_updated":"2022-01-06T07:03:35Z","doi":"10.1088/0953-8984/24/16/165801","language":[{"iso":"eng"}],"title":"Photoluminescence lineshape features of carbon δ-doped GaAs heterostructures","department":[{"_id":"15"},{"_id":"230"}],"publication_status":"published","publication_identifier":{"issn":["0953-8984","1361-648X"]},"intvolume":" 24","_id":"7325","article_number":"165801","issue":"16","type":"journal_article","citation":{"ieee":"J. Schuster, T. Y. Kim, E. Batke, D. Reuter, and A. D. Wieck, “Photoluminescence lineshape features of carbon δ-doped GaAs heterostructures,” Journal of Physics: Condensed Matter, vol. 24, no. 16, 2012.","short":"J. Schuster, T.Y. Kim, E. Batke, D. Reuter, A.D. Wieck, Journal of Physics: Condensed Matter 24 (2012).","bibtex":"@article{Schuster_Kim_Batke_Reuter_Wieck_2012, title={Photoluminescence lineshape features of carbon δ-doped GaAs heterostructures}, volume={24}, DOI={10.1088/0953-8984/24/16/165801}, 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} }","mla":"Schuster, J., et al. “Photoluminescence Lineshape Features of Carbon δ-Doped GaAs Heterostructures.” Journal of Physics: Condensed Matter, vol. 24, no. 16, 165801, IOP Publishing, 2012, doi:10.1088/0953-8984/24/16/165801.","ama":"Schuster J, Kim TY, Batke E, Reuter D, Wieck AD. Photoluminescence lineshape features of carbon δ-doped GaAs heterostructures. Journal of Physics: Condensed Matter. 2012;24(16). doi:10.1088/0953-8984/24/16/165801","apa":"Schuster, J., Kim, T. Y., Batke, E., Reuter, D., & Wieck, A. D. (2012). Photoluminescence lineshape features of carbon δ-doped GaAs heterostructures. Journal of Physics: Condensed Matter, 24(16). https://doi.org/10.1088/0953-8984/24/16/165801","chicago":"Schuster, J, T Y Kim, E Batke, Dirk Reuter, and A D Wieck. “Photoluminescence Lineshape Features of Carbon δ-Doped GaAs Heterostructures.” Journal of Physics: Condensed Matter 24, no. 16 (2012). https://doi.org/10.1088/0953-8984/24/16/165801."},"year":"2012","user_id":"42514","publisher":"IOP Publishing","author":[{"full_name":"Schuster, J","first_name":"J","last_name":"Schuster"},{"first_name":"T Y","full_name":"Kim, T Y","last_name":"Kim"},{"full_name":"Batke, E","first_name":"E","last_name":"Batke"},{"last_name":"Reuter","id":"37763","first_name":"Dirk","full_name":"Reuter, Dirk"},{"last_name":"Wieck","first_name":"A D","full_name":"Wieck, A D"}],"publication":"Journal of Physics: Condensed Matter","volume":24,"status":"public","date_created":"2019-01-31T10:53:35Z"},{"date_updated":"2022-01-06T06:51:38Z","_id":"13545","intvolume":" 24","doi":"10.1088/0953-8984/24/19/195503","article_number":"195503","citation":{"short":"M. Landmann, E. Rauls, W.G. Schmidt, Journal of Physics: Condensed Matter 24 (2012).","ieee":"M. Landmann, E. Rauls, and W. G. Schmidt, “The electronic structure and optical response of rutile, anatase and brookite TiO2,” Journal of Physics: Condensed Matter, vol. 24, 2012.","apa":"Landmann, M., Rauls, E., & Schmidt, W. G. (2012). The electronic structure and optical response of rutile, anatase and brookite TiO2. Journal of Physics: Condensed Matter, 24. https://doi.org/10.1088/0953-8984/24/19/195503","ama":"Landmann M, Rauls E, Schmidt WG. The electronic structure and optical response of rutile, anatase and brookite TiO2. Journal of Physics: Condensed Matter. 2012;24. doi:10.1088/0953-8984/24/19/195503","chicago":"Landmann, M, E Rauls, and Wolf Gero Schmidt. “The Electronic Structure and Optical Response of Rutile, Anatase and Brookite TiO2.” Journal of Physics: Condensed Matter 24 (2012). https://doi.org/10.1088/0953-8984/24/19/195503.","mla":"Landmann, M., et al. “The Electronic Structure and Optical Response of Rutile, Anatase and Brookite TiO2.” Journal of Physics: Condensed Matter, vol. 24, 195503, 2012, doi:10.1088/0953-8984/24/19/195503.","bibtex":"@article{Landmann_Rauls_Schmidt_2012, title={The electronic structure and optical response of rutile, anatase and brookite TiO2}, volume={24}, DOI={10.1088/0953-8984/24/19/195503}, number={195503}, journal={Journal of Physics: Condensed Matter}, author={Landmann, M and Rauls, E and Schmidt, Wolf Gero}, year={2012} }"},"year":"2012","type":"journal_article","language":[{"iso":"eng"}],"title":"The electronic structure and optical response of rutile, anatase and brookite TiO2","user_id":"16199","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"}],"publication":"Journal of Physics: Condensed Matter","author":[{"last_name":"Landmann","first_name":"M","full_name":"Landmann, M"},{"first_name":"E","full_name":"Rauls, E","last_name":"Rauls"},{"first_name":"Wolf Gero","orcid":"0000-0002-2717-5076","full_name":"Schmidt, Wolf Gero","last_name":"Schmidt","id":"468"}],"volume":24,"publication_status":"published","publication_identifier":{"issn":["0953-8984","1361-648X"]},"project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"date_created":"2019-09-30T14:51:40Z","status":"public"},{"keyword":["Condensed Matter Physics","General Materials Science"],"publication":"Journal of Physics: Condensed Matter","publisher":"IOP Publishing","author":[{"full_name":"Helmstedt, Andreas","first_name":"Andreas","last_name":"Helmstedt"},{"last_name":"Müller","full_name":"Müller, Norbert","first_name":"Norbert"},{"last_name":"Gryzia","full_name":"Gryzia, Aaron","first_name":"Aaron"},{"last_name":"Dohmeier","first_name":"Niklas","full_name":"Dohmeier, Niklas"},{"last_name":"Brechling","first_name":"Armin","full_name":"Brechling, Armin"},{"first_name":"Marc","full_name":"Sacher, Marc","last_name":"Sacher","id":"26883"},{"first_name":"Ulrich","full_name":"Heinzmann, Ulrich","last_name":"Heinzmann"},{"full_name":"Hoeke, Veronika","first_name":"Veronika","last_name":"Hoeke"},{"last_name":"Krickemeyer","first_name":"Erich","full_name":"Krickemeyer, Erich"},{"last_name":"Glaser","first_name":"Thorsten","full_name":"Glaser, Thorsten"},{"first_name":"Samuel","full_name":"Bouvron, Samuel","last_name":"Bouvron"},{"first_name":"Mikhail","full_name":"Fonin, Mikhail","last_name":"Fonin"},{"last_name":"Neumann","full_name":"Neumann, Manfred","first_name":"Manfred"}],"date_created":"2022-01-31T10:11:42Z","status":"public","volume":23,"extern":"1","user_id":"26883","type":"journal_article","year":"2011","citation":{"mla":"Helmstedt, Andreas, et al. “Spin Resolved Photoelectron Spectroscopy of [Mn6IIICrIII]3 +single-Molecule Magnets and of Manganese Compounds as Reference Layers.” Journal of Physics: Condensed Matter, vol. 23, no. 26, 266001, IOP Publishing, 2011, doi:10.1088/0953-8984/23/26/266001.","bibtex":"@article{Helmstedt_Müller_Gryzia_Dohmeier_Brechling_Sacher_Heinzmann_Hoeke_Krickemeyer_Glaser_et al._2011, title={Spin resolved photoelectron spectroscopy of [Mn6IIICrIII]3 +single-molecule magnets and of manganese compounds as reference layers}, volume={23}, DOI={10.1088/0953-8984/23/26/266001}, number={26266001}, journal={Journal of Physics: Condensed Matter}, publisher={IOP Publishing}, author={Helmstedt, Andreas and Müller, Norbert and Gryzia, Aaron and Dohmeier, Niklas and Brechling, Armin and Sacher, Marc and Heinzmann, Ulrich and Hoeke, Veronika and Krickemeyer, Erich and Glaser, Thorsten and et al.}, year={2011} }","ama":"Helmstedt A, Müller N, Gryzia A, et al. Spin resolved photoelectron spectroscopy of [Mn6IIICrIII]3 +single-molecule magnets and of manganese compounds as reference layers. Journal of Physics: Condensed Matter. 2011;23(26). doi:10.1088/0953-8984/23/26/266001","apa":"Helmstedt, A., Müller, N., Gryzia, A., Dohmeier, N., Brechling, A., Sacher, M., Heinzmann, U., Hoeke, V., Krickemeyer, E., Glaser, T., Bouvron, S., Fonin, M., & Neumann, M. (2011). Spin resolved photoelectron spectroscopy of [Mn6IIICrIII]3 +single-molecule magnets and of manganese compounds as reference layers. Journal of Physics: Condensed Matter, 23(26), Article 266001. https://doi.org/10.1088/0953-8984/23/26/266001","chicago":"Helmstedt, Andreas, Norbert Müller, Aaron Gryzia, Niklas Dohmeier, Armin Brechling, Marc Sacher, Ulrich Heinzmann, et al. “Spin Resolved Photoelectron Spectroscopy of [Mn6IIICrIII]3 +single-Molecule Magnets and of Manganese Compounds as Reference Layers.” Journal of Physics: Condensed Matter 23, no. 26 (2011). https://doi.org/10.1088/0953-8984/23/26/266001.","ieee":"A. Helmstedt et al., “Spin resolved photoelectron spectroscopy of [Mn6IIICrIII]3 +single-molecule magnets and of manganese compounds as reference layers,” Journal of Physics: Condensed Matter, vol. 23, no. 26, Art. no. 266001, 2011, doi: 10.1088/0953-8984/23/26/266001.","short":"A. Helmstedt, N. Müller, A. Gryzia, N. Dohmeier, A. Brechling, M. Sacher, U. Heinzmann, V. Hoeke, E. Krickemeyer, T. Glaser, S. Bouvron, M. Fonin, M. Neumann, Journal of Physics: Condensed Matter 23 (2011)."},"intvolume":" 23","_id":"29677","issue":"26","article_number":"266001","department":[{"_id":"15"},{"_id":"576"}],"publication_identifier":{"issn":["0953-8984","1361-648X"]},"publication_status":"published","title":"Spin resolved photoelectron spectroscopy of [Mn6IIICrIII]3 +single-molecule magnets and of manganese compounds as reference layers","language":[{"iso":"eng"}],"date_updated":"2022-01-31T10:12:14Z","doi":"10.1088/0953-8984/23/26/266001"},{"article_number":"185001","intvolume":" 21","_id":"13662","year":"2009","type":"journal_article","citation":{"mla":"Blankenburg, S., and Wolf Gero Schmidt. “Glutamic Acid Adsorbed on Ag(110): Direct and Indirect Molecular Interactions.” Journal of Physics: Condensed Matter, vol. 21, 185001, 2009, doi:10.1088/0953-8984/21/18/185001.","bibtex":"@article{Blankenburg_Schmidt_2009, title={Glutamic acid adsorbed on Ag(110): direct and indirect molecular interactions}, volume={21}, DOI={10.1088/0953-8984/21/18/185001}, number={185001}, journal={Journal of Physics: Condensed Matter}, author={Blankenburg, S and Schmidt, Wolf Gero}, year={2009} }","chicago":"Blankenburg, S, and Wolf Gero Schmidt. “Glutamic Acid Adsorbed on Ag(110): Direct and Indirect Molecular Interactions.” Journal of Physics: Condensed Matter 21 (2009). https://doi.org/10.1088/0953-8984/21/18/185001.","apa":"Blankenburg, S., & Schmidt, W. G. (2009). Glutamic acid adsorbed on Ag(110): direct and indirect molecular interactions. Journal of Physics: Condensed Matter, 21. https://doi.org/10.1088/0953-8984/21/18/185001","ama":"Blankenburg S, Schmidt WG. Glutamic acid adsorbed on Ag(110): direct and indirect molecular interactions. Journal of Physics: Condensed Matter. 2009;21. doi:10.1088/0953-8984/21/18/185001","ieee":"S. Blankenburg and W. G. Schmidt, “Glutamic acid adsorbed on Ag(110): direct and indirect molecular interactions,” Journal of Physics: Condensed Matter, vol. 21, 2009.","short":"S. Blankenburg, W.G. Schmidt, Journal of Physics: Condensed Matter 21 (2009)."},"funded_apc":"1","user_id":"16199","volume":21,"status":"public","date_created":"2019-10-09T09:12:29Z","author":[{"last_name":"Blankenburg","first_name":"S","full_name":"Blankenburg, S"},{"orcid":"0000-0002-2717-5076","full_name":"Schmidt, Wolf Gero","first_name":"Wolf Gero","id":"468","last_name":"Schmidt"}],"publication":"Journal of Physics: Condensed Matter","doi":"10.1088/0953-8984/21/18/185001","date_updated":"2022-01-06T06:51:41Z","language":[{"iso":"eng"}],"title":"Glutamic acid adsorbed on Ag(110): direct and indirect molecular interactions","publication_status":"published","publication_identifier":{"issn":["0953-8984","1361-648X"]},"project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"department":[{"_id":"15"},{"_id":"170"},{"_id":"295"}]},{"user_id":"16199","volume":21,"date_created":"2019-10-11T10:42:39Z","status":"public","publication":"Journal of Physics: Condensed Matter","author":[{"last_name":"Giannozzi","full_name":"Giannozzi, Paolo","first_name":"Paolo"},{"last_name":"Baroni","full_name":"Baroni, Stefano","first_name":"Stefano"},{"first_name":"Nicola","full_name":"Bonini, Nicola","last_name":"Bonini"},{"full_name":"Calandra, Matteo","first_name":"Matteo","last_name":"Calandra"},{"full_name":"Car, Roberto","first_name":"Roberto","last_name":"Car"},{"full_name":"Cavazzoni, Carlo","first_name":"Carlo","last_name":"Cavazzoni"},{"last_name":"Ceresoli","first_name":"Davide","full_name":"Ceresoli, Davide"},{"last_name":"Chiarotti","first_name":"Guido L","full_name":"Chiarotti, Guido L"},{"full_name":"Cococcioni, Matteo","first_name":"Matteo","last_name":"Cococcioni"},{"first_name":"Ismaila","full_name":"Dabo, Ismaila","last_name":"Dabo"},{"full_name":"Dal Corso, Andrea","first_name":"Andrea","last_name":"Dal Corso"},{"last_name":"de Gironcoli","full_name":"de Gironcoli, Stefano","first_name":"Stefano"},{"full_name":"Fabris, Stefano","first_name":"Stefano","last_name":"Fabris"},{"last_name":"Fratesi","first_name":"Guido","full_name":"Fratesi, Guido"},{"last_name":"Gebauer","full_name":"Gebauer, Ralph","first_name":"Ralph"},{"id":"171","last_name":"Gerstmann","full_name":"Gerstmann, Uwe","first_name":"Uwe"},{"last_name":"Gougoussis","first_name":"Christos","full_name":"Gougoussis, Christos"},{"last_name":"Kokalj","full_name":"Kokalj, Anton","first_name":"Anton"},{"first_name":"Michele","full_name":"Lazzeri, Michele","last_name":"Lazzeri"},{"full_name":"Martin-Samos, Layla","first_name":"Layla","last_name":"Martin-Samos"},{"first_name":"Nicola","full_name":"Marzari, Nicola","last_name":"Marzari"},{"last_name":"Mauri","first_name":"Francesco","full_name":"Mauri, Francesco"},{"first_name":"Riccardo","full_name":"Mazzarello, Riccardo","last_name":"Mazzarello"},{"full_name":"Paolini, Stefano","first_name":"Stefano","last_name":"Paolini"},{"last_name":"Pasquarello","first_name":"Alfredo","full_name":"Pasquarello, Alfredo"},{"full_name":"Paulatto, Lorenzo","first_name":"Lorenzo","last_name":"Paulatto"},{"full_name":"Sbraccia, Carlo","first_name":"Carlo","last_name":"Sbraccia"},{"full_name":"Scandolo, Sandro","first_name":"Sandro","last_name":"Scandolo"},{"full_name":"Sclauzero, Gabriele","first_name":"Gabriele","last_name":"Sclauzero"},{"full_name":"Seitsonen, Ari P","first_name":"Ari P","last_name":"Seitsonen"},{"full_name":"Smogunov, Alexander","first_name":"Alexander","last_name":"Smogunov"},{"last_name":"Umari","full_name":"Umari, Paolo","first_name":"Paolo"},{"last_name":"Wentzcovitch","first_name":"Renata M","full_name":"Wentzcovitch, Renata M"}],"article_number":"395502","issue":"39","_id":"13802","intvolume":" 21","type":"journal_article","year":"2009","citation":{"bibtex":"@article{Giannozzi_Baroni_Bonini_Calandra_Car_Cavazzoni_Ceresoli_Chiarotti_Cococcioni_Dabo_et al._2009, title={QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials}, volume={21}, DOI={10.1088/0953-8984/21/39/395502}, number={39395502}, journal={Journal of Physics: Condensed Matter}, author={Giannozzi, Paolo and Baroni, Stefano and Bonini, Nicola and Calandra, Matteo and Car, Roberto and Cavazzoni, Carlo and Ceresoli, Davide and Chiarotti, Guido L and Cococcioni, Matteo and Dabo, Ismaila and et al.}, year={2009} }","mla":"Giannozzi, Paolo, et al. “QUANTUM ESPRESSO: A Modular and Open-Source Software Project for Quantum Simulations of Materials.” Journal of Physics: Condensed Matter, vol. 21, no. 39, 395502, 2009, doi:10.1088/0953-8984/21/39/395502.","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.” Journal of Physics: Condensed Matter 21, no. 39 (2009). https://doi.org/10.1088/0953-8984/21/39/395502.","ama":"Giannozzi P, Baroni S, Bonini N, et al. QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials. Journal of Physics: Condensed Matter. 2009;21(39). doi:10.1088/0953-8984/21/39/395502","apa":"Giannozzi, P., Baroni, S., Bonini, N., Calandra, M., Car, R., Cavazzoni, C., … Wentzcovitch, R. M. (2009). QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials. Journal of Physics: Condensed Matter, 21(39). https://doi.org/10.1088/0953-8984/21/39/395502","ieee":"P. Giannozzi et al., “QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials,” Journal of Physics: Condensed Matter, vol. 21, no. 39, 2009.","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. Mazzarello, S. Paolini, A. Pasquarello, L. Paulatto, C. Sbraccia, S. Scandolo, G. Sclauzero, A.P. Seitsonen, A. Smogunov, P. Umari, R.M. Wentzcovitch, Journal of Physics: Condensed Matter 21 (2009)."},"funded_apc":"1","title":"QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials","publication_status":"published","publication_identifier":{"issn":["0953-8984","1361-648X"]},"project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"department":[{"_id":"15"},{"_id":"170"},{"_id":"295"}],"doi":"10.1088/0953-8984/21/39/395502","date_updated":"2022-01-06T06:51:45Z","language":[{"iso":"eng"}]},{"publication_identifier":{"issn":["0953-8984","1361-648X"]},"publication_status":"published","department":[{"_id":"15"},{"_id":"230"},{"_id":"35"}],"title":"Coherent optoelectronics with single quantum dots","language":[{"iso":"eng"}],"doi":"10.1088/0953-8984/20/45/454210","date_updated":"2022-01-06T07:01:09Z","status":"public","date_created":"2018-09-20T13:51:11Z","volume":20,"publisher":"IOP Publishing","author":[{"full_name":"Zrenner, Artur","orcid":"0000-0002-5190-0944","first_name":"Artur","id":"606","last_name":"Zrenner"},{"last_name":"Ester","full_name":"Ester, P","first_name":"P"},{"last_name":"Michaelis de Vasconcellos","full_name":"Michaelis de Vasconcellos, S","first_name":"S"},{"last_name":"Hübner","full_name":"Hübner, M C","first_name":"M C"},{"full_name":"Lackmann, L","first_name":"L","last_name":"Lackmann"},{"full_name":"Stufler, S","first_name":"S","last_name":"Stufler"},{"first_name":"M","full_name":"Bichler, M","last_name":"Bichler"}],"publication":"Journal of Physics: Condensed Matter","user_id":"49428","article_type":"original","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"}],"type":"journal_article","year":"2008","citation":{"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.” Journal of Physics: Condensed Matter 20, no. 45 (2008). https://doi.org/10.1088/0953-8984/20/45/454210.","apa":"Zrenner, A., Ester, P., Michaelis de Vasconcellos, S., Hübner, M. C., Lackmann, L., Stufler, S., & Bichler, M. (2008). Coherent optoelectronics with single quantum dots. 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Michaelis de Vasconcellos, M.C. Hübner, L. Lackmann, S. Stufler, M. Bichler, Journal of Physics: Condensed Matter 20 (2008).","ieee":"A. Zrenner et al., “Coherent optoelectronics with single quantum dots,” Journal of Physics: Condensed Matter, vol. 20, no. 45, 2008."},"issue":"45","article_number":"454210","_id":"4557","intvolume":" 20"},{"article_number":"374108","doi":"10.1088/0953-8984/20/37/374108","_id":"8616","date_updated":"2022-01-06T07:03:57Z","language":[{"iso":"eng"}],"citation":{"bibtex":"@article{Kaiser_Kohler_Hänggi_Malecha_Ebbecke_Wixforth_Schumacher_Kästner_Reuter_Wieck_2008, title={Theoretical and experimental investigations of Coulomb blockade in coupled quantum dot systems}, DOI={10.1088/0953-8984/20/37/374108}, number={374108}, journal={Journal of Physics: Condensed Matter}, author={Kaiser, F J and Kohler, S and Hänggi, P and Malecha, M and Ebbecke, J and Wixforth, A and Schumacher, H W and Kästner, B and Reuter, Dirk and Wieck, A D}, year={2008} }","mla":"Kaiser, F. 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Hermann, P. Schwerdtfeger, W.G. Schmidt, Journal of Physics: Condensed Matter 20 (2008).","ieee":"A. Hermann, P. Schwerdtfeger, and W. G. Schmidt, “Theoretical study of the localization of excess electrons at the surface of ice,” Journal of Physics: Condensed Matter, vol. 20, 2008.","chicago":"Hermann, A, P Schwerdtfeger, and Wolf Gero Schmidt. “Theoretical Study of the Localization of Excess Electrons at the Surface of Ice.” Journal of Physics: Condensed Matter 20 (2008). https://doi.org/10.1088/0953-8984/20/22/225003.","ama":"Hermann A, Schwerdtfeger P, Schmidt WG. Theoretical study of the localization of excess electrons at the surface of ice. Journal of Physics: Condensed Matter. 2008;20. doi:10.1088/0953-8984/20/22/225003","apa":"Hermann, A., Schwerdtfeger, P., & Schmidt, W. G. (2008). Theoretical study of the localization of excess electrons at the surface of ice. 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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.","lang":"eng"}],"user_id":"49063","year":"2005","type":"journal_article","citation":{"mla":"Meier, Torsten, et al. “Femtosecond Time-Resolved Five-Wave Mixing at Silicon Surfaces.” Journal of Physics: Condensed Matter, vol. 17, no. 8, 2005, pp. S221–44, doi:10.1088/0953-8984/17/8/003.","bibtex":"@article{Meier_Reichelt_Koch_Höfer_2005, title={Femtosecond time-resolved five-wave mixing at silicon surfaces}, volume={17}, DOI={10.1088/0953-8984/17/8/003}, number={8}, journal={Journal of Physics: Condensed Matter}, author={Meier, Torsten and Reichelt, Matthias and Koch, S W and Höfer, U}, year={2005}, pages={S221–S244} }","ama":"Meier T, Reichelt M, Koch SW, Höfer U. Femtosecond time-resolved five-wave mixing at silicon surfaces. 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Furthermore, it is outlined how one can describe optical nonlinearities at surfaces using a microscopic theory within the framework of semiconductor Bloch equations."}],"user_id":"49063","publication":"Journal of Physics: Condensed Matter","author":[{"first_name":"Torsten","orcid":"0000-0001-8864-2072","full_name":"Meier, Torsten","last_name":"Meier","id":"344"},{"last_name":"Reichelt","id":"138","first_name":"Matthias","full_name":"Reichelt, Matthias"},{"first_name":"S W","full_name":"Koch, S W","last_name":"Koch"},{"last_name":"Höfer","first_name":"U","full_name":"Höfer, U"}],"volume":17,"date_created":"2021-08-24T09:21:43Z","status":"public","_id":"23499","intvolume":" 17","issue":"8","page":"S221-S244","year":"2005","citation":{"ieee":"T. Meier, M. Reichelt, S. W. Koch, and U. Höfer, “Femtosecond time-resolved five-wave mixing at silicon surfaces,” Journal of Physics: Condensed Matter, vol. 17, no. 8, pp. S221–S244, 2005, doi: 10.1088/0953-8984/17/8/003.","short":"T. Meier, M. 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