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LiNbO3 surfaces from a microscopic perspective. Journal of Physics: Condensed Matter. 2017. doi:10.1088/1361-648x/aa818d","apa":"Sanna, S., & Schmidt, W. G. (2017). LiNbO3 surfaces from a microscopic perspective. Journal of Physics: Condensed Matter. https://doi.org/10.1088/1361-648x/aa818d","bibtex":"@article{Sanna_Schmidt_2017, title={LiNbO3 surfaces from a microscopic perspective}, DOI={10.1088/1361-648x/aa818d}, number={413001}, journal={Journal of Physics: Condensed Matter}, author={Sanna, Simone and Schmidt, Wolf Gero}, year={2017} }","mla":"Sanna, Simone, and Wolf Gero Schmidt. “LiNbO3 Surfaces from a Microscopic Perspective.” Journal of Physics: Condensed Matter, 413001, 2017, doi:10.1088/1361-648x/aa818d.","short":"S. Sanna, W.G. Schmidt, Journal of Physics: Condensed Matter (2017).","ieee":"S. Sanna and W. G. 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Liu, D.F. Heinze, H. Thanh Duc, S. Schumacher, T. Meier, Journal of Physics: Condensed Matter 27 (2015).","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.","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","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. 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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"}],"user_id":"49063","type":"journal_article","citation":{"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","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. 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Liu, D.F. Heinze, H. Thanh Duc, S. Schumacher, T. Meier, Journal of Physics: Condensed Matter 27 (2015).","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."},"year":"2015","_id":"22946","intvolume":" 27","article_number":"445501","issue":"44"},{"citation":{"ieee":"M. Landmann, T. Köhler, E. Rauls, T. Frauenheim, and W. G. Schmidt, “The atomic structure of ternary amorphous TixSi1−xO2hybrid oxides,” Journal of Physics: Condensed Matter, vol. 26, 2014.","short":"M. Landmann, T. Köhler, E. Rauls, T. Frauenheim, W.G. 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Journal of Physics: Condensed Matter. 2014;26. doi:10.1088/0953-8984/26/25/253201","chicago":"Landmann, M, T Köhler, E Rauls, T Frauenheim, and Wolf Gero Schmidt. “The Atomic Structure of Ternary Amorphous TixSi1−xO2hybrid Oxides.” Journal of Physics: Condensed Matter 26 (2014). https://doi.org/10.1088/0953-8984/26/25/253201."},"type":"journal_article","year":"2014","language":[{"iso":"eng"}],"doi":"10.1088/0953-8984/26/25/253201","article_number":"253201","_id":"13511","date_updated":"2022-01-06T06:51:37Z","intvolume":" 26","publication_status":"published","volume":26,"publication_identifier":{"issn":["0953-8984","1361-648X"]},"date_created":"2019-09-30T13:31:47Z","project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"status":"public","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"}],"publication":"Journal of Physics: Condensed Matter","author":[{"full_name":"Landmann, M","first_name":"M","last_name":"Landmann"},{"first_name":"T","full_name":"Köhler, T","last_name":"Köhler"},{"last_name":"Rauls","full_name":"Rauls, E","first_name":"E"},{"last_name":"Frauenheim","first_name":"T","full_name":"Frauenheim, T"},{"first_name":"Wolf Gero","orcid":"0000-0002-2717-5076","full_name":"Schmidt, Wolf Gero","last_name":"Schmidt","id":"468"}],"title":"The atomic structure of ternary amorphous TixSi1−xO2hybrid oxides","user_id":"16199"},{"doi":"10.1088/0953-8984/25/32/325304","date_updated":"2022-01-06T07:03:31Z","language":[{"iso":"eng"}],"title":"The effect of (NH4)2Sxpassivation on the (311)A GaAs surface and its use in AlGaAs/GaAs heterostructure devices","publication_identifier":{"issn":["0953-8984","1361-648X"]},"publication_status":"published","department":[{"_id":"15"},{"_id":"230"}],"article_number":"325304","issue":"32","intvolume":" 25","_id":"7260","type":"journal_article","year":"2013","citation":{"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.","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. 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.","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.","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)."},"user_id":"42514","volume":25,"date_created":"2019-01-30T12:57:16Z","status":"public","publication":"Journal of Physics: Condensed Matter","author":[{"full_name":"Carrad, D J","first_name":"D J","last_name":"Carrad"},{"first_name":"A M","full_name":"Burke, A M","last_name":"Burke"},{"last_name":"Reece","full_name":"Reece, P J","first_name":"P J"},{"first_name":"R W","full_name":"Lyttleton, R W","last_name":"Lyttleton"},{"last_name":"Waddington","full_name":"Waddington, D E J","first_name":"D E J"},{"last_name":"Rai","first_name":"A","full_name":"Rai, A"},{"last_name":"Reuter","id":"37763","first_name":"Dirk","full_name":"Reuter, Dirk"},{"last_name":"Wieck","first_name":"A D","full_name":"Wieck, A D"},{"first_name":"A P","full_name":"Micolich, A P","last_name":"Micolich"}],"publisher":"IOP Publishing"},{"year":"2013","type":"journal_article","citation":{"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.","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} }","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.","short":"T. Riedl, A. Kirchner, K. Eymann, A. Shariq, R. Schlesiger, G. Schmitz, M. Ruhnow, B. Kieback, Journal of Physics: Condensed Matter 25 (2013).","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."},"_id":"4111","intvolume":" 25","article_number":"115401 (9 pp.)","issue":"11","file_date_updated":"2018-08-23T13:21:21Z","publication":"Journal of Physics: Condensed Matter","publisher":"IOP Publishing","author":[{"id":"36950","last_name":"Riedl","full_name":"Riedl, Thomas","first_name":"Thomas"},{"last_name":"Kirchner","full_name":"Kirchner, A","first_name":"A"},{"full_name":"Eymann, K","first_name":"K","last_name":"Eymann"},{"first_name":"A","full_name":"Shariq, A","last_name":"Shariq"},{"first_name":"R","full_name":"Schlesiger, R","last_name":"Schlesiger"},{"first_name":"G","full_name":"Schmitz, G","last_name":"Schmitz"},{"full_name":"Ruhnow, M","first_name":"M","last_name":"Ruhnow"},{"first_name":"B","full_name":"Kieback, B","last_name":"Kieback"}],"file":[{"file_size":1116530,"file_id":"4112","creator":"hclaudia","date_updated":"2018-08-23T13:21:21Z","content_type":"application/pdf","relation":"main_file","success":1,"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","access_level":"closed"}],"volume":25,"date_created":"2018-08-23T13:18:34Z","status":"public","has_accepted_license":"1","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."}],"article_type":"original","ddc":["530"],"user_id":"55706","language":[{"iso":"eng"}],"date_updated":"2022-01-06T07:00:18Z","doi":"10.1088/0953-8984/25/11/115401","department":[{"_id":"15"},{"_id":"286"}],"publication_identifier":{"issn":["0953-8984","1361-648X"]},"publication_status":"published","title":"Elemental distribution, solute solubility and defect free volume in nanocrystalline restricted-equilibrium Cu–Ag alloys"},{"title":"Photoluminescence lineshape features of carbon δ-doped GaAs heterostructures","publication_identifier":{"issn":["0953-8984","1361-648X"]},"publication_status":"published","department":[{"_id":"15"},{"_id":"230"}],"doi":"10.1088/0953-8984/24/16/165801","date_updated":"2022-01-06T07:03:35Z","language":[{"iso":"eng"}],"user_id":"42514","date_created":"2019-01-31T10:53:35Z","status":"public","volume":24,"publication":"Journal of Physics: Condensed Matter","author":[{"full_name":"Schuster, J","first_name":"J","last_name":"Schuster"},{"last_name":"Kim","first_name":"T Y","full_name":"Kim, T Y"},{"first_name":"E","full_name":"Batke, E","last_name":"Batke"},{"full_name":"Reuter, Dirk","first_name":"Dirk","id":"37763","last_name":"Reuter"},{"first_name":"A D","full_name":"Wieck, A D","last_name":"Wieck"}],"publisher":"IOP Publishing","issue":"16","article_number":"165801","_id":"7325","intvolume":" 24","type":"journal_article","year":"2012","citation":{"short":"J. Schuster, T.Y. Kim, E. Batke, D. Reuter, A.D. Wieck, Journal of Physics: Condensed Matter 24 (2012).","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.","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.","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.","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} }"}},{"publication_status":"published","volume":24,"publication_identifier":{"issn":["0953-8984","1361-648X"]},"status":"public","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"date_created":"2019-09-30T14:51:40Z","author":[{"last_name":"Landmann","full_name":"Landmann, M","first_name":"M"},{"last_name":"Rauls","first_name":"E","full_name":"Rauls, E"},{"orcid":"0000-0002-2717-5076","full_name":"Schmidt, Wolf Gero","first_name":"Wolf Gero","id":"468","last_name":"Schmidt"}],"department":[{"_id":"15"},{"_id":"170"},{"_id":"295"}],"publication":"Journal of Physics: Condensed Matter","title":"The electronic structure and optical response of rutile, anatase and brookite TiO2","user_id":"16199","year":"2012","citation":{"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","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","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.","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} }","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.","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."},"type":"journal_article","language":[{"iso":"eng"}],"article_number":"195503","doi":"10.1088/0953-8984/24/19/195503","_id":"13545","date_updated":"2022-01-06T06:51:38Z","intvolume":" 24"},{"title":"Spin resolved photoelectron spectroscopy of [Mn6IIICrIII]3 +single-molecule magnets and of manganese compounds as reference layers","publication_identifier":{"issn":["0953-8984","1361-648X"]},"publication_status":"published","department":[{"_id":"15"},{"_id":"576"}],"doi":"10.1088/0953-8984/23/26/266001","date_updated":"2022-01-31T10:12:14Z","language":[{"iso":"eng"}],"user_id":"26883","extern":"1","volume":23,"date_created":"2022-01-31T10:11:42Z","status":"public","publication":"Journal of Physics: Condensed Matter","keyword":["Condensed Matter Physics","General Materials Science"],"publisher":"IOP Publishing","author":[{"full_name":"Helmstedt, Andreas","first_name":"Andreas","last_name":"Helmstedt"},{"last_name":"Müller","first_name":"Norbert","full_name":"Müller, Norbert"},{"last_name":"Gryzia","full_name":"Gryzia, Aaron","first_name":"Aaron"},{"last_name":"Dohmeier","full_name":"Dohmeier, Niklas","first_name":"Niklas"},{"first_name":"Armin","full_name":"Brechling, Armin","last_name":"Brechling"},{"full_name":"Sacher, Marc","first_name":"Marc","id":"26883","last_name":"Sacher"},{"last_name":"Heinzmann","first_name":"Ulrich","full_name":"Heinzmann, Ulrich"},{"last_name":"Hoeke","first_name":"Veronika","full_name":"Hoeke, Veronika"},{"last_name":"Krickemeyer","first_name":"Erich","full_name":"Krickemeyer, Erich"},{"first_name":"Thorsten","full_name":"Glaser, Thorsten","last_name":"Glaser"},{"first_name":"Samuel","full_name":"Bouvron, Samuel","last_name":"Bouvron"},{"last_name":"Fonin","full_name":"Fonin, Mikhail","first_name":"Mikhail"},{"last_name":"Neumann","full_name":"Neumann, Manfred","first_name":"Manfred"}],"article_number":"266001","issue":"26","_id":"29677","intvolume":" 23","type":"journal_article","citation":{"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","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","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.","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} }","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).","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."},"year":"2011"},{"language":[{"iso":"eng"}],"date_updated":"2022-01-06T06:51:41Z","doi":"10.1088/0953-8984/21/18/185001","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"}],"publication_status":"published","publication_identifier":{"issn":["0953-8984","1361-648X"]},"project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"title":"Glutamic acid adsorbed on Ag(110): direct and indirect molecular interactions","funded_apc":"1","year":"2009","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)."},"type":"journal_article","intvolume":" 21","_id":"13662","article_number":"185001","publication":"Journal of Physics: Condensed Matter","author":[{"last_name":"Blankenburg","full_name":"Blankenburg, S","first_name":"S"},{"last_name":"Schmidt","id":"468","first_name":"Wolf Gero","full_name":"Schmidt, Wolf Gero","orcid":"0000-0002-2717-5076"}],"volume":21,"date_created":"2019-10-09T09:12:29Z","status":"public","user_id":"16199"},{"language":[{"iso":"eng"}],"doi":"10.1088/0953-8984/21/39/395502","date_updated":"2022-01-06T06:51:45Z","publication_identifier":{"issn":["0953-8984","1361-648X"]},"publication_status":"published","project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"department":[{"_id":"15"},{"_id":"170"},{"_id":"295"}],"title":"QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials","type":"journal_article","citation":{"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. 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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).","ieee":"P. 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Journal of Physics: Condensed Matter, 16, S4323–S4334. https://doi.org/10.1088/0953-8984/16/39/007","chicago":"Schmidt, Wolf Gero, F Fuchs, A Hermann, K Seino, F Bechstedt, R Paßmann, M Wahl, et al. “Oxidation- and Organic-Molecule-Induced Changes of the Si Surface Optical Anisotropy:Ab Initiopredictions.” Journal of Physics: Condensed Matter 16 (2004): S4323–34. https://doi.org/10.1088/0953-8984/16/39/007.","bibtex":"@article{Schmidt_Fuchs_Hermann_Seino_Bechstedt_Paßmann_Wahl_Gensch_Hinrichs_Esser_et al._2004, title={Oxidation- and organic-molecule-induced changes of the Si surface optical anisotropy:ab initiopredictions}, volume={16}, DOI={10.1088/0953-8984/16/39/007}, journal={Journal of Physics: Condensed Matter}, author={Schmidt, Wolf Gero and Fuchs, F and Hermann, A and Seino, K and Bechstedt, F and Paßmann, R and Wahl, M and Gensch, M and Hinrichs, K and Esser, N and et al.}, year={2004}, pages={S4323–S4334} }","mla":"Schmidt, Wolf Gero, et al. “Oxidation- and Organic-Molecule-Induced Changes of the Si Surface Optical Anisotropy:Ab Initiopredictions.” Journal of Physics: Condensed Matter, vol. 16, 2004, pp. S4323–34, doi:10.1088/0953-8984/16/39/007.","short":"W.G. Schmidt, F. Fuchs, A. Hermann, K. Seino, F. Bechstedt, R. Paßmann, M. Wahl, M. Gensch, K. Hinrichs, N. Esser, S. Wang, W. Lu, J. Bernholc, Journal of Physics: Condensed Matter 16 (2004) S4323–S4334.","ieee":"W. G. Schmidt et al., “Oxidation- and organic-molecule-induced changes of the Si surface optical anisotropy:ab initiopredictions,” Journal of Physics: Condensed Matter, vol. 16, pp. S4323–S4334, 2004."},"year":"2004","page":"S4323-S4334","_id":"13712","date_updated":"2022-01-06T06:51:42Z","intvolume":" 16","doi":"10.1088/0953-8984/16/39/007","author":[{"first_name":"Wolf Gero","full_name":"Schmidt, Wolf Gero","orcid":"0000-0002-2717-5076","last_name":"Schmidt","id":"468"},{"last_name":"Fuchs","full_name":"Fuchs, F","first_name":"F"},{"full_name":"Hermann, A","first_name":"A","last_name":"Hermann"},{"last_name":"Seino","full_name":"Seino, K","first_name":"K"},{"first_name":"F","full_name":"Bechstedt, F","last_name":"Bechstedt"},{"full_name":"Paßmann, R","first_name":"R","last_name":"Paßmann"},{"last_name":"Wahl","full_name":"Wahl, M","first_name":"M"},{"full_name":"Gensch, M","first_name":"M","last_name":"Gensch"},{"last_name":"Hinrichs","full_name":"Hinrichs, K","first_name":"K"},{"first_name":"N","full_name":"Esser, N","last_name":"Esser"},{"full_name":"Wang, S","first_name":"S","last_name":"Wang"},{"first_name":"W","full_name":"Lu, W","last_name":"Lu"},{"last_name":"Bernholc","full_name":"Bernholc, J","first_name":"J"}],"department":[{"_id":"15"},{"_id":"170"},{"_id":"295"}],"publication":"Journal of Physics: Condensed Matter","status":"public","date_created":"2019-10-09T12:12:44Z","volume":16,"publication_identifier":{"issn":["0953-8984","1361-648X"]},"publication_status":"published","user_id":"16199","title":"Oxidation- and organic-molecule-induced changes of the Si surface optical anisotropy:ab initiopredictions"}]