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G. (2009). Water adsorption on the α-Al2O3(0001) surface. <i>Physical Review B</i>, <i>80</i>(24). <a href=\"https://doi.org/10.1103/physrevb.80.245403\">https://doi.org/10.1103/physrevb.80.245403</a>","short":"P. Thissen, G. Grundmeier, S. Wippermann, W.G. Schmidt, Physical Review B 80 (2009).","mla":"Thissen, P., et al. “Water Adsorption on the α-Al2O3(0001) Surface.” <i>Physical Review B</i>, vol. 80, no. 24, 2009, doi:<a href=\"https://doi.org/10.1103/physrevb.80.245403\">10.1103/physrevb.80.245403</a>.","bibtex":"@article{Thissen_Grundmeier_Wippermann_Schmidt_2009, title={Water adsorption on the α-Al2O3(0001) surface}, volume={80}, DOI={<a href=\"https://doi.org/10.1103/physrevb.80.245403\">10.1103/physrevb.80.245403</a>}, number={24}, journal={Physical Review B}, author={Thissen, P. and Grundmeier, Guido and Wippermann, S. and Schmidt, Wolf Gero}, year={2009} }","ama":"Thissen P, Grundmeier G, Wippermann S, Schmidt WG. Water adsorption on the α-Al2O3(0001) surface. <i>Physical Review B</i>. 2009;80(24). doi:<a href=\"https://doi.org/10.1103/physrevb.80.245403\">10.1103/physrevb.80.245403</a>","ieee":"P. Thissen, G. Grundmeier, S. Wippermann, and W. G. Schmidt, “Water adsorption on the α-Al2O3(0001) surface,” <i>Physical Review B</i>, vol. 80, no. 24, 2009, doi: <a href=\"https://doi.org/10.1103/physrevb.80.245403\">10.1103/physrevb.80.245403</a>.","chicago":"Thissen, P., Guido Grundmeier, S. Wippermann, and Wolf Gero Schmidt. “Water Adsorption on the α-Al2O3(0001) Surface.” <i>Physical Review B</i> 80, no. 24 (2009). <a href=\"https://doi.org/10.1103/physrevb.80.245403\">https://doi.org/10.1103/physrevb.80.245403</a>."},"intvolume":"        80","year":"2009","date_created":"2019-10-09T08:53:23Z","author":[{"last_name":"Thissen","full_name":"Thissen, P.","first_name":"P."},{"first_name":"Guido","full_name":"Grundmeier, Guido","id":"194","last_name":"Grundmeier"},{"last_name":"Wippermann","full_name":"Wippermann, S.","first_name":"S."},{"first_name":"Wolf Gero","last_name":"Schmidt","orcid":"0000-0002-2717-5076","full_name":"Schmidt, Wolf Gero","id":"468"}],"volume":80,"date_updated":"2025-12-05T13:14:27Z","doi":"10.1103/physrevb.80.245403","title":"Water adsorption on the α-Al2O3(0001) surface"},{"title":"QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials","doi":"10.1088/0953-8984/21/39/395502","date_updated":"2025-12-16T07:42:40Z","author":[{"full_name":"Giannozzi, Paolo","last_name":"Giannozzi","first_name":"Paolo"},{"first_name":"Stefano","last_name":"Baroni","full_name":"Baroni, Stefano"},{"first_name":"Nicola","last_name":"Bonini","full_name":"Bonini, Nicola"},{"first_name":"Matteo","last_name":"Calandra","full_name":"Calandra, Matteo"},{"first_name":"Roberto","full_name":"Car, Roberto","last_name":"Car"},{"first_name":"Carlo","full_name":"Cavazzoni, Carlo","last_name":"Cavazzoni"},{"last_name":"Ceresoli","full_name":"Ceresoli, Davide","first_name":"Davide"},{"first_name":"Guido L","last_name":"Chiarotti","full_name":"Chiarotti, Guido L"},{"first_name":"Matteo","last_name":"Cococcioni","full_name":"Cococcioni, Matteo"},{"full_name":"Dabo, Ismaila","last_name":"Dabo","first_name":"Ismaila"},{"first_name":"Andrea","last_name":"Dal Corso","full_name":"Dal Corso, Andrea"},{"full_name":"de Gironcoli, Stefano","last_name":"de Gironcoli","first_name":"Stefano"},{"last_name":"Fabris","full_name":"Fabris, Stefano","first_name":"Stefano"},{"first_name":"Guido","last_name":"Fratesi","full_name":"Fratesi, Guido"},{"full_name":"Gebauer, Ralph","last_name":"Gebauer","first_name":"Ralph"},{"orcid":"0000-0002-4476-223X","last_name":"Gerstmann","id":"171","full_name":"Gerstmann, Uwe","first_name":"Uwe"},{"last_name":"Gougoussis","full_name":"Gougoussis, Christos","first_name":"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","last_name":"Martin-Samos","first_name":"Layla"},{"full_name":"Marzari, Nicola","last_name":"Marzari","first_name":"Nicola"},{"full_name":"Mauri, Francesco","last_name":"Mauri","first_name":"Francesco"},{"full_name":"Mazzarello, Riccardo","last_name":"Mazzarello","first_name":"Riccardo"},{"first_name":"Stefano","full_name":"Paolini, Stefano","last_name":"Paolini"},{"first_name":"Alfredo","last_name":"Pasquarello","full_name":"Pasquarello, Alfredo"},{"first_name":"Lorenzo","full_name":"Paulatto, Lorenzo","last_name":"Paulatto"},{"last_name":"Sbraccia","full_name":"Sbraccia, Carlo","first_name":"Carlo"},{"last_name":"Scandolo","full_name":"Scandolo, Sandro","first_name":"Sandro"},{"first_name":"Gabriele","full_name":"Sclauzero, Gabriele","last_name":"Sclauzero"},{"full_name":"Seitsonen, Ari P","last_name":"Seitsonen","first_name":"Ari P"},{"first_name":"Alexander","last_name":"Smogunov","full_name":"Smogunov, Alexander"},{"full_name":"Umari, Paolo","last_name":"Umari","first_name":"Paolo"},{"first_name":"Renata M","last_name":"Wentzcovitch","full_name":"Wentzcovitch, Renata M"}],"date_created":"2019-10-11T10:42:39Z","volume":21,"year":"2009","citation":{"apa":"Giannozzi, P., Baroni, S., Bonini, N., Calandra, M., Car, R., Cavazzoni, C., Ceresoli, D., Chiarotti, G. L., Cococcioni, M., Dabo, I., Dal Corso, A., de Gironcoli, S., Fabris, S., Fratesi, G., Gebauer, R., Gerstmann, U., Gougoussis, C., Kokalj, A., Lazzeri, M., … Wentzcovitch, R. M. (2009). QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials. <i>Journal of Physics: Condensed Matter</i>, <i>21</i>(39), Article 395502. <a href=\"https://doi.org/10.1088/0953-8984/21/39/395502\">https://doi.org/10.1088/0953-8984/21/39/395502</a>","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={<a href=\"https://doi.org/10.1088/0953-8984/21/39/395502\">10.1088/0953-8984/21/39/395502</a>}, 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} }","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).","mla":"Giannozzi, Paolo, et al. “QUANTUM ESPRESSO: A Modular and Open-Source Software Project for Quantum Simulations of Materials.” <i>Journal of Physics: Condensed Matter</i>, vol. 21, no. 39, 395502, 2009, doi:<a href=\"https://doi.org/10.1088/0953-8984/21/39/395502\">10.1088/0953-8984/21/39/395502</a>.","ama":"Giannozzi P, Baroni S, Bonini N, et al. QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials. <i>Journal of Physics: Condensed Matter</i>. 2009;21(39). doi:<a href=\"https://doi.org/10.1088/0953-8984/21/39/395502\">10.1088/0953-8984/21/39/395502</a>","chicago":"Giannozzi, Paolo, Stefano Baroni, Nicola Bonini, Matteo Calandra, Roberto Car, Carlo Cavazzoni, Davide Ceresoli, et al. “QUANTUM ESPRESSO: A Modular and Open-Source Software Project for Quantum Simulations of Materials.” <i>Journal of Physics: Condensed Matter</i> 21, no. 39 (2009). <a href=\"https://doi.org/10.1088/0953-8984/21/39/395502\">https://doi.org/10.1088/0953-8984/21/39/395502</a>.","ieee":"P. Giannozzi <i>et al.</i>, “QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials,” <i>Journal of Physics: Condensed Matter</i>, vol. 21, no. 39, Art. no. 395502, 2009, doi: <a href=\"https://doi.org/10.1088/0953-8984/21/39/395502\">10.1088/0953-8984/21/39/395502</a>."},"intvolume":"        21","publication_status":"published","publication_identifier":{"issn":["0953-8984","1361-648X"]},"issue":"39","article_number":"395502","funded_apc":"1","language":[{"iso":"eng"}],"project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"_id":"13802","user_id":"16199","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"790"},{"_id":"35"},{"_id":"27"}],"status":"public","type":"journal_article","publication":"Journal of Physics: Condensed Matter"},{"citation":{"mla":"Savchenko, D. V., et al. “Spin-Coupling in Heavily Nitrogen-Doped 4H-SiC.” <i>Materials Science Forum</i>, vol. 615–617, 2009, pp. 343–46, doi:<a href=\"https://doi.org/10.4028/www.scientific.net/msf.615-617.343\">10.4028/www.scientific.net/msf.615-617.343</a>.","short":"D.V. Savchenko, A. Pöppl, E.N. Kalabukhova, S. Greulich-Weber, E. Rauls, W.G. Schmidt, U. Gerstmann, Materials Science Forum 615–617 (2009) 343–346.","bibtex":"@article{Savchenko_Pöppl_Kalabukhova_Greulich-Weber_Rauls_Schmidt_Gerstmann_2009, title={Spin-Coupling in Heavily Nitrogen-Doped 4H-SiC}, volume={615–617}, DOI={<a href=\"https://doi.org/10.4028/www.scientific.net/msf.615-617.343\">10.4028/www.scientific.net/msf.615-617.343</a>}, journal={Materials Science Forum}, author={Savchenko, D.V. and Pöppl, Andreas and Kalabukhova, Ekaterina N. and Greulich-Weber, Siegmund and Rauls, Eva and Schmidt, Wolf Gero and Gerstmann, Uwe}, year={2009}, pages={343–346} }","apa":"Savchenko, D. V., Pöppl, A., Kalabukhova, E. N., Greulich-Weber, S., Rauls, E., Schmidt, W. G., &#38; Gerstmann, U. (2009). Spin-Coupling in Heavily Nitrogen-Doped 4H-SiC. <i>Materials Science Forum</i>, <i>615–617</i>, 343–346. <a href=\"https://doi.org/10.4028/www.scientific.net/msf.615-617.343\">https://doi.org/10.4028/www.scientific.net/msf.615-617.343</a>","ieee":"D. V. Savchenko <i>et al.</i>, “Spin-Coupling in Heavily Nitrogen-Doped 4H-SiC,” <i>Materials Science Forum</i>, vol. 615–617, pp. 343–346, 2009, doi: <a href=\"https://doi.org/10.4028/www.scientific.net/msf.615-617.343\">10.4028/www.scientific.net/msf.615-617.343</a>.","chicago":"Savchenko, D.V., Andreas Pöppl, Ekaterina N. Kalabukhova, Siegmund Greulich-Weber, Eva Rauls, Wolf Gero Schmidt, and Uwe Gerstmann. “Spin-Coupling in Heavily Nitrogen-Doped 4H-SiC.” <i>Materials Science Forum</i> 615–617 (2009): 343–46. <a href=\"https://doi.org/10.4028/www.scientific.net/msf.615-617.343\">https://doi.org/10.4028/www.scientific.net/msf.615-617.343</a>.","ama":"Savchenko DV, Pöppl A, Kalabukhova EN, et al. Spin-Coupling in Heavily Nitrogen-Doped 4H-SiC. <i>Materials Science Forum</i>. 2009;615-617:343-346. doi:<a href=\"https://doi.org/10.4028/www.scientific.net/msf.615-617.343\">10.4028/www.scientific.net/msf.615-617.343</a>"},"page":"343-346","year":"2009","publication_status":"published","publication_identifier":{"issn":["1662-9752"]},"doi":"10.4028/www.scientific.net/msf.615-617.343","title":"Spin-Coupling in Heavily Nitrogen-Doped 4H-SiC","date_created":"2019-10-15T07:58:04Z","author":[{"first_name":"D.V.","full_name":"Savchenko, D.V.","last_name":"Savchenko"},{"first_name":"Andreas","full_name":"Pöppl, Andreas","last_name":"Pöppl"},{"last_name":"Kalabukhova","full_name":"Kalabukhova, Ekaterina N.","first_name":"Ekaterina N."},{"full_name":"Greulich-Weber, Siegmund","last_name":"Greulich-Weber","first_name":"Siegmund"},{"last_name":"Rauls","full_name":"Rauls, Eva","first_name":"Eva"},{"full_name":"Schmidt, Wolf Gero","id":"468","orcid":"0000-0002-2717-5076","last_name":"Schmidt","first_name":"Wolf Gero"},{"orcid":"0000-0002-4476-223X","last_name":"Gerstmann","full_name":"Gerstmann, Uwe","id":"171","first_name":"Uwe"}],"volume":"615-617","date_updated":"2025-12-16T07:42:04Z","status":"public","abstract":[{"lang":"eng","text":"<jats:p>EPR and ESE in nitrogen doped 4H- and 6H-SiC show besides the well known triplet lines of 14N on quasi-cubic (Nc,k) and hexagonal (Nc,h) sites additional lines (Nx) of comparatively low intensity providing half the hf splitting of Nc,k. Frequently re-interpreted as spin-forbid¬den lines, arising from Nc,k pairs and triads or resulting from hopping conductivity, only re¬cent¬ly the theoretical calculation of the corresponding g-tensors lead to a tentative model of distant NC donor pairs on inequivalent lattice sites which are coupled to S = 1 assuming a fine-struc¬ture splitting too small to be observed in the EPR and ESE experiments. In this work, we pre¬sent ESE nutation measurements confirming S = 1 for the Nx center. Analysing the nutation frequencies in comparison with that of the Nc,k (S = 1/2) spectrum as well as the line width of ESE and EPR spectra we obtain a rough estimate between 5104 cm-1 and 50104 cm-1 for the fine-structure splitting demonstrating efficient spin-coupling between nitrogen donors in 4H-SiC.</jats:p>"}],"type":"journal_article","publication":"Materials Science Forum","language":[{"iso":"eng"}],"funded_apc":"1","user_id":"16199","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"790"},{"_id":"35"},{"_id":"230"}],"_id":"13844"},{"quality_controlled":"1","issue":"18","year":"2009","publisher":"American Institute of Physics","date_created":"2020-08-28T22:24:30Z","title":"Measurement of effective electron mass in biaxial tensile strained silicon on insulator","publication":"Applied Physics Letters","abstract":[{"text":"We present measurements of the effective electron mass in biaxial tensile strained silicon on insulator (SSOI) material with 1.2 GPa stress and in unstrained SOI. Hall-bar metal oxide semiconductor field effect transistors on 60 nm SSOI and SOI were fabricated and Shubnikov–de Haas oscillations in the temperature range of T=0.4–4 K for magnetic fields of B=0–10 T were measured. The effective electron mass in SSOI and SOI samples was determined as mt=(0.20±0.01)m0. This result is in excellent agreement with first-principles calculations of the\r\neffective electron mass in the presence of strain.","lang":"eng"}],"file":[{"content_type":"application/pdf","creator":"schindlm","file_size":198836,"file_name":"1.3254330.pdf","relation":"main_file","date_updated":"2020-08-30T15:29:43Z","date_created":"2020-08-28T22:28:31Z","description":"© 2009 American Institute of Physics","title":"Measurement of effective electron mass in biaxial tensile strained silicon on insulator","access_level":"open_access","file_id":"18633"}],"external_id":{"isi":["000271666800034"]},"ddc":["530"],"language":[{"iso":"eng"}],"publication_status":"published","publication_identifier":{"eissn":["1077-3118"],"issn":["0003-6951"]},"has_accepted_license":"1","citation":{"ama":"Feste SF, Schäpers T, Buca D, et al. Measurement of effective electron mass in biaxial tensile strained silicon on insulator. <i>Applied Physics Letters</i>. 2009;95(18). doi:<a href=\"https://doi.org/10.1063/1.3254330\">10.1063/1.3254330</a>","ieee":"S. F. Feste <i>et al.</i>, “Measurement of effective electron mass in biaxial tensile strained silicon on insulator,” <i>Applied Physics Letters</i>, vol. 95, no. 18, Art. no. 182101, 2009, doi: <a href=\"https://doi.org/10.1063/1.3254330\">10.1063/1.3254330</a>.","chicago":"Feste, Sebastian F., Thomas Schäpers, Dan Buca, Qing Tai Zhao, Joachim Knoch, Mohammed Bouhassoune, Arno Schindlmayr, and Siegfried Mantl. “Measurement of Effective Electron Mass in Biaxial Tensile Strained Silicon on Insulator.” <i>Applied Physics Letters</i> 95, no. 18 (2009). <a href=\"https://doi.org/10.1063/1.3254330\">https://doi.org/10.1063/1.3254330</a>.","apa":"Feste, S. F., Schäpers, T., Buca, D., Zhao, Q. T., Knoch, J., Bouhassoune, M., Schindlmayr, A., &#38; Mantl, S. (2009). Measurement of effective electron mass in biaxial tensile strained silicon on insulator. <i>Applied Physics Letters</i>, <i>95</i>(18), Article 182101. <a href=\"https://doi.org/10.1063/1.3254330\">https://doi.org/10.1063/1.3254330</a>","mla":"Feste, Sebastian F., et al. “Measurement of Effective Electron Mass in Biaxial Tensile Strained Silicon on Insulator.” <i>Applied Physics Letters</i>, vol. 95, no. 18, 182101, American Institute of Physics, 2009, doi:<a href=\"https://doi.org/10.1063/1.3254330\">10.1063/1.3254330</a>.","bibtex":"@article{Feste_Schäpers_Buca_Zhao_Knoch_Bouhassoune_Schindlmayr_Mantl_2009, title={Measurement of effective electron mass in biaxial tensile strained silicon on insulator}, volume={95}, DOI={<a href=\"https://doi.org/10.1063/1.3254330\">10.1063/1.3254330</a>}, number={18182101}, journal={Applied Physics Letters}, publisher={American Institute of Physics}, author={Feste, Sebastian F. and Schäpers, Thomas and Buca, Dan and Zhao, Qing Tai and Knoch, Joachim and Bouhassoune, Mohammed and Schindlmayr, Arno and Mantl, Siegfried}, year={2009} }","short":"S.F. Feste, T. Schäpers, D. Buca, Q.T. Zhao, J. Knoch, M. Bouhassoune, A. Schindlmayr, S. Mantl, Applied Physics Letters 95 (2009)."},"intvolume":"        95","date_updated":"2025-12-16T08:10:54Z","oa":"1","author":[{"first_name":"Sebastian F.","full_name":"Feste, Sebastian F.","last_name":"Feste"},{"first_name":"Thomas","full_name":"Schäpers, Thomas","last_name":"Schäpers"},{"full_name":"Buca, Dan","last_name":"Buca","first_name":"Dan"},{"first_name":"Qing Tai","full_name":"Zhao, Qing Tai","last_name":"Zhao"},{"last_name":"Knoch","full_name":"Knoch, Joachim","first_name":"Joachim"},{"last_name":"Bouhassoune","full_name":"Bouhassoune, Mohammed","first_name":"Mohammed"},{"first_name":"Arno","full_name":"Schindlmayr, Arno","id":"458","last_name":"Schindlmayr","orcid":"0000-0002-4855-071X"},{"first_name":"Siegfried","last_name":"Mantl","full_name":"Mantl, Siegfried"}],"volume":95,"doi":"10.1063/1.3254330","type":"journal_article","status":"public","_id":"18632","user_id":"16199","department":[{"_id":"296"},{"_id":"170"},{"_id":"230"}],"isi":"1","article_type":"original","article_number":"182101","file_date_updated":"2020-08-30T15:29:43Z"},{"doi":"10.1063/1.3253897","conference":{"start_date":"2009-10-28","name":"Theoretical and Computational Nanophotonics","location":"Bad Honnef","end_date":"2009-10-30"},"author":[{"orcid":"0000-0002-4855-071X","last_name":"Schindlmayr","full_name":"Schindlmayr, Arno","id":"458","first_name":"Arno"}],"volume":1176,"oa":"1","date_updated":"2025-12-16T11:09:27Z","citation":{"mla":"Schindlmayr, Arno. “Optical Conductivity of Metals from First Principles.” <i>Theoretical and Computational Nanophotonics: Proceedings of the 2nd International Workshop</i>, edited by Dmitry N. Chigrin, vol. 1176, no. 1, American Institute of Physics, 2009, pp. 157–59, doi:<a href=\"https://doi.org/10.1063/1.3253897\">10.1063/1.3253897</a>.","bibtex":"@inproceedings{Schindlmayr_2009, series={AIP Conference Proceedings}, title={Optical conductivity of metals from first principles}, volume={1176}, DOI={<a href=\"https://doi.org/10.1063/1.3253897\">10.1063/1.3253897</a>}, number={1}, booktitle={Theoretical and Computational Nanophotonics: Proceedings of the 2nd International Workshop}, publisher={American Institute of Physics}, author={Schindlmayr, Arno}, editor={Chigrin, Dmitry N.}, year={2009}, pages={157–159}, collection={AIP Conference Proceedings} }","short":"A. Schindlmayr, in: D.N. Chigrin (Ed.), Theoretical and Computational Nanophotonics: Proceedings of the 2nd International Workshop, American Institute of Physics, 2009, pp. 157–159.","apa":"Schindlmayr, A. (2009). Optical conductivity of metals from first principles. In D. N. Chigrin (Ed.), <i>Theoretical and Computational Nanophotonics: Proceedings of the 2nd International Workshop</i> (Vol. 1176, Issue 1, pp. 157–159). American Institute of Physics. <a href=\"https://doi.org/10.1063/1.3253897\">https://doi.org/10.1063/1.3253897</a>","ieee":"A. Schindlmayr, “Optical conductivity of metals from first principles,” in <i>Theoretical and Computational Nanophotonics: Proceedings of the 2nd International Workshop</i>, Bad Honnef, 2009, vol. 1176, no. 1, pp. 157–159, doi: <a href=\"https://doi.org/10.1063/1.3253897\">10.1063/1.3253897</a>.","chicago":"Schindlmayr, Arno. “Optical Conductivity of Metals from First Principles.” In <i>Theoretical and Computational Nanophotonics: Proceedings of the 2nd International Workshop</i>, edited by Dmitry N. Chigrin, 1176:157–59. AIP Conference Proceedings. American Institute of Physics, 2009. <a href=\"https://doi.org/10.1063/1.3253897\">https://doi.org/10.1063/1.3253897</a>.","ama":"Schindlmayr A. Optical conductivity of metals from first principles. In: Chigrin DN, ed. <i>Theoretical and Computational Nanophotonics: Proceedings of the 2nd International Workshop</i>. Vol 1176. AIP Conference Proceedings. American Institute of Physics; 2009:157-159. doi:<a href=\"https://doi.org/10.1063/1.3253897\">10.1063/1.3253897</a>"},"page":"157-159","intvolume":"      1176","publication_status":"published","publication_identifier":{"issn":["0094-243X"],"eissn":["1551-7616"],"isbn":["978-0-7354-0715-2"]},"has_accepted_license":"1","file_date_updated":"2020-08-30T15:19:49Z","isi":"1","user_id":"16199","series_title":"AIP Conference Proceedings","department":[{"_id":"296"},{"_id":"35"},{"_id":"15"},{"_id":"170"},{"_id":"230"}],"_id":"18634","status":"public","editor":[{"last_name":"Chigrin","full_name":"Chigrin, Dmitry N.","first_name":"Dmitry N."}],"type":"conference","title":"Optical conductivity of metals from first principles","date_created":"2020-08-28T22:35:13Z","publisher":"American Institute of Physics","year":"2009","issue":"1","quality_controlled":"1","language":[{"iso":"eng"}],"ddc":["530"],"external_id":{"isi":["000280420600055"],"arxiv":["1109.2771"]},"file":[{"relation":"main_file","content_type":"application/pdf","file_name":"APC000157.pdf","file_id":"18635","access_level":"open_access","title":"Optical conductivity of metals from first principles","description":"© 2009 American Institute of Physics","file_size":259756,"creator":"schindlm","date_created":"2020-08-28T22:42:54Z","date_updated":"2020-08-30T15:19:49Z"}],"abstract":[{"text":"A computational method to obtain optical conductivities from first principles is presented. It exploits a relation between the conductivity and the complex dielectric function, which is constructed from the full electronic band structure within the random-phase approximation. In contrast to the Drude model, no empirical parameters are used. As interband transitions as well as local-field effects are properly included, the calculated spectra are valid over a wide frequency range. As an illustration I present quantitative results for selected simple metals, noble metals, and ferromagnetic transition metals. The implementation is based on the full-potential linearized augmented-plane-wave method.","lang":"eng"}],"publication":"Theoretical and Computational Nanophotonics: Proceedings of the 2nd International Workshop"},{"abstract":[{"text":"We derive formulas for the Coulomb matrix within the full-potential linearized augmented-plane-wave (FLAPW) method. The Coulomb matrix is a central ingredient in implementations of many-body perturbation theory, such as the Hartree–Fock and GW approximations for the electronic self-energy or the random-phase approximation for the dielectric function. It is represented in the mixed product basis, which combines numerical muffin-tin functions and interstitial plane waves constructed from products of FLAPW basis functions. The interstitial plane waves are here expanded with the Rayleigh formula. The resulting algorithm is very efficient in terms of both computational cost and accuracy and is superior to an implementation with the Fourier transform of the step function. In order to allow an analytic treatment of the divergence at k=0 in reciprocal space, we expand the Coulomb matrix analytically around this point without resorting to a projection onto plane waves. Without additional approximations, we then apply a basis transformation that diagonalizes the Coulomb matrix and confines the divergence to a single eigenvalue. At the same time, response matrices like the dielectric function separate into head, wings, and body with the same mathematical properties as in a plane-wave basis. As an illustration we apply the formulas to electron-energy-loss spectra (EELS) for nickel at different k vectors including k=0. The convergence of the spectra towards the result at k=0 is clearly seen. Our all-electron treatment also allows to include transitions from 3s and 3p core states in the EELS spectrum that give rise to a shallow peak at high energies and lead to good agreement with experiment.","lang":"eng"}],"file":[{"content_type":"application/pdf","file_name":"1-s2.0-S0010465508003664-main.pdf","file_size":311274,"creator":"schindlm","relation":"main_file","access_level":"closed","file_id":"19875","title":"Efficient calculation of the Coulomb matrix and its expansion around k=0 within the FLAPW method","description":"© 2008 Elsevier B.V.","date_created":"2020-10-05T10:35:14Z","date_updated":"2020-10-05T10:41:07Z"}],"publication":"Computer Physics Communications","ddc":["530"],"language":[{"iso":"eng"}],"external_id":{"arxiv":["0811.2363"],"isi":["000264735800002"]},"year":"2009","quality_controlled":"1","issue":"3","title":"Efficient calculation of the Coulomb matrix and its expansion around k=0 within the FLAPW method","publisher":"Elsevier","date_created":"2020-08-28T22:50:49Z","status":"public","type":"journal_article","article_type":"original","isi":"1","file_date_updated":"2020-10-05T10:41:07Z","_id":"18636","user_id":"16199","department":[{"_id":"296"},{"_id":"35"},{"_id":"15"},{"_id":"170"},{"_id":"230"}],"citation":{"ieee":"C. Friedrich, A. Schindlmayr, and S. Blügel, “Efficient calculation of the Coulomb matrix and its expansion around k=0 within the FLAPW method,” <i>Computer Physics Communications</i>, vol. 180, no. 3, pp. 347–359, 2009, doi: <a href=\"https://doi.org/10.1016/j.cpc.2008.10.009\">10.1016/j.cpc.2008.10.009</a>.","chicago":"Friedrich, Christoph, Arno Schindlmayr, and Stefan Blügel. “Efficient Calculation of the Coulomb Matrix and Its Expansion around K=0 within the FLAPW Method.” <i>Computer Physics Communications</i> 180, no. 3 (2009): 347–59. <a href=\"https://doi.org/10.1016/j.cpc.2008.10.009\">https://doi.org/10.1016/j.cpc.2008.10.009</a>.","ama":"Friedrich C, Schindlmayr A, Blügel S. Efficient calculation of the Coulomb matrix and its expansion around k=0 within the FLAPW method. <i>Computer Physics Communications</i>. 2009;180(3):347-359. doi:<a href=\"https://doi.org/10.1016/j.cpc.2008.10.009\">10.1016/j.cpc.2008.10.009</a>","mla":"Friedrich, Christoph, et al. “Efficient Calculation of the Coulomb Matrix and Its Expansion around K=0 within the FLAPW Method.” <i>Computer Physics Communications</i>, vol. 180, no. 3, Elsevier, 2009, pp. 347–59, doi:<a href=\"https://doi.org/10.1016/j.cpc.2008.10.009\">10.1016/j.cpc.2008.10.009</a>.","short":"C. Friedrich, A. Schindlmayr, S. Blügel, Computer Physics Communications 180 (2009) 347–359.","bibtex":"@article{Friedrich_Schindlmayr_Blügel_2009, title={Efficient calculation of the Coulomb matrix and its expansion around k=0 within the FLAPW method}, volume={180}, DOI={<a href=\"https://doi.org/10.1016/j.cpc.2008.10.009\">10.1016/j.cpc.2008.10.009</a>}, number={3}, journal={Computer Physics Communications}, publisher={Elsevier}, author={Friedrich, Christoph and Schindlmayr, Arno and Blügel, Stefan}, year={2009}, pages={347–359} }","apa":"Friedrich, C., Schindlmayr, A., &#38; Blügel, S. (2009). Efficient calculation of the Coulomb matrix and its expansion around k=0 within the FLAPW method. <i>Computer Physics Communications</i>, <i>180</i>(3), 347–359. <a href=\"https://doi.org/10.1016/j.cpc.2008.10.009\">https://doi.org/10.1016/j.cpc.2008.10.009</a>"},"page":"347-359","intvolume":"       180","publication_status":"published","has_accepted_license":"1","publication_identifier":{"issn":["0010-4655"]},"doi":"10.1016/j.cpc.2008.10.009","date_updated":"2025-12-16T11:10:22Z","author":[{"last_name":"Friedrich","full_name":"Friedrich, Christoph","first_name":"Christoph"},{"first_name":"Arno","orcid":"0000-0002-4855-071X","last_name":"Schindlmayr","full_name":"Schindlmayr, Arno","id":"458"},{"last_name":"Blügel","full_name":"Blügel, Stefan","first_name":"Stefan"}],"volume":180},{"status":"public","abstract":[{"lang":"eng","text":"We experimentally and theoretically investigate microdisk resonators with embedded quantum dots immersed in a liquid crystal in its nematic phase, showing the tunabililty of the photonic modes via external parameters like temperature or electric field."}],"type":"conference","publication":"Advances in Optical Sciences Congress","language":[{"iso":"eng"}],"article_number":"paper NTuC2","keyword":["tet_topic_microdisk"],"user_id":"16199","department":[{"_id":"15"},{"_id":"287"},{"_id":"293"},{"_id":"230"},{"_id":"35"},{"_id":"313"},{"_id":"170"},{"_id":"35"},{"_id":"34"},{"_id":"61"}],"_id":"4181","citation":{"bibtex":"@inproceedings{Förstner_Meier_Piegdon_Declair_Hoischen_Urbanski_Meier_Kitzerow_2009, title={Coupling Dynamics of Quantum Dots in a Liquid-Crystal-Tunable Microdisk Resonator}, DOI={<a href=\"https://doi.org/10.1364/nlo.2009.ntuc2\">10.1364/nlo.2009.ntuc2</a>}, number={paper NTuC2}, booktitle={Advances in Optical Sciences Congress}, publisher={OSA Technical Digest (CD) (Optical Society of America, 2009), paper NTuC2}, author={Förstner, Jens and Meier, Cedrik and Piegdon, Karoline and Declair, Stefan and Hoischen, Andreas and Urbanski, Mark and Meier, Torsten and Kitzerow, Heinz-Siegfried}, year={2009} }","short":"J. Förstner, C. Meier, K. Piegdon, S. Declair, A. Hoischen, M. Urbanski, T. Meier, H.-S. Kitzerow, in: Advances in Optical Sciences Congress, OSA Technical Digest (CD) (Optical Society of America, 2009), paper NTuC2, 2009.","mla":"Förstner, Jens, et al. “Coupling Dynamics of Quantum Dots in a Liquid-Crystal-Tunable Microdisk Resonator.” <i>Advances in Optical Sciences Congress</i>, paper NTuC2, OSA Technical Digest (CD) (Optical Society of America, 2009), paper NTuC2, 2009, doi:<a href=\"https://doi.org/10.1364/nlo.2009.ntuc2\">10.1364/nlo.2009.ntuc2</a>.","apa":"Förstner, J., Meier, C., Piegdon, K., Declair, S., Hoischen, A., Urbanski, M., Meier, T., &#38; Kitzerow, H.-S. (2009). Coupling Dynamics of Quantum Dots in a Liquid-Crystal-Tunable Microdisk Resonator. <i>Advances in Optical Sciences Congress</i>, Article paper NTuC2. Nonlinear Optics: Materials, Fundamentals and Applications 2009, Honolulu, Hawaii United States. <a href=\"https://doi.org/10.1364/nlo.2009.ntuc2\">https://doi.org/10.1364/nlo.2009.ntuc2</a>","ama":"Förstner J, Meier C, Piegdon K, et al. Coupling Dynamics of Quantum Dots in a Liquid-Crystal-Tunable Microdisk Resonator. In: <i>Advances in Optical Sciences Congress</i>. OSA Technical Digest (CD) (Optical Society of America, 2009), paper NTuC2; 2009. doi:<a href=\"https://doi.org/10.1364/nlo.2009.ntuc2\">10.1364/nlo.2009.ntuc2</a>","ieee":"J. Förstner <i>et al.</i>, “Coupling Dynamics of Quantum Dots in a Liquid-Crystal-Tunable Microdisk Resonator,” presented at the Nonlinear Optics: Materials, Fundamentals and Applications 2009, Honolulu, Hawaii United States, 2009, doi: <a href=\"https://doi.org/10.1364/nlo.2009.ntuc2\">10.1364/nlo.2009.ntuc2</a>.","chicago":"Förstner, Jens, Cedrik Meier, Karoline Piegdon, Stefan Declair, Andreas Hoischen, Mark Urbanski, Torsten Meier, and Heinz-Siegfried Kitzerow. “Coupling Dynamics of Quantum Dots in a Liquid-Crystal-Tunable Microdisk Resonator.” In <i>Advances in Optical Sciences Congress</i>. OSA Technical Digest (CD) (Optical Society of America, 2009), paper NTuC2, 2009. <a href=\"https://doi.org/10.1364/nlo.2009.ntuc2\">https://doi.org/10.1364/nlo.2009.ntuc2</a>."},"year":"2009","publication_status":"published","publication_identifier":{"isbn":["9781557528735"]},"doi":"10.1364/nlo.2009.ntuc2","conference":{"location":"Honolulu, Hawaii United States","end_date":"2009-07-17","start_date":"2009-07-11","name":"Nonlinear Optics: Materials, Fundamentals and Applications 2009"},"title":"Coupling Dynamics of Quantum Dots in a Liquid-Crystal-Tunable Microdisk Resonator","date_created":"2018-08-28T09:28:38Z","author":[{"last_name":"Förstner","orcid":"0000-0001-7059-9862","full_name":"Förstner, Jens","id":"158","first_name":"Jens"},{"first_name":"Cedrik","last_name":"Meier","orcid":"https://orcid.org/0000-0002-3787-3572","full_name":"Meier, Cedrik","id":"20798"},{"first_name":"Karoline","full_name":"Piegdon, Karoline","last_name":"Piegdon"},{"full_name":"Declair, Stefan","last_name":"Declair","first_name":"Stefan"},{"first_name":"Andreas","full_name":"Hoischen, Andreas","last_name":"Hoischen"},{"first_name":"Mark","full_name":"Urbanski, Mark","last_name":"Urbanski"},{"first_name":"Torsten","last_name":"Meier","orcid":"0000-0001-8864-2072","id":"344","full_name":"Meier, Torsten"},{"first_name":"Heinz-Siegfried","full_name":"Kitzerow, Heinz-Siegfried","id":"254","last_name":"Kitzerow"}],"publisher":"OSA Technical Digest (CD) (Optical Society of America, 2009), paper NTuC2","date_updated":"2025-12-16T16:41:31Z"},{"user_id":"30525","department":[{"_id":"15"},{"_id":"230"}],"_id":"1737","article_number":"7756","type":"journal_article","publication":"Optics Express","status":"public","author":[{"full_name":"Guo, Hongcang","last_name":"Guo","first_name":"Hongcang"},{"first_name":"Todd P.","full_name":"Meyrath, Todd P.","last_name":"Meyrath"},{"id":"30525","full_name":"Zentgraf, Thomas","orcid":"0000-0002-8662-1101","last_name":"Zentgraf","first_name":"Thomas"},{"first_name":"Na","full_name":"Liu, Na","last_name":"Liu"},{"last_name":"Fu","full_name":"Fu, Liwei","first_name":"Liwei"},{"first_name":"Heinz","full_name":"Schweizer, Heinz","last_name":"Schweizer"},{"full_name":"Giessen, Harald","last_name":"Giessen","first_name":"Harald"}],"date_created":"2018-03-23T12:37:14Z","volume":16,"publisher":"The Optical Society","date_updated":"2022-01-06T06:53:09Z","doi":"10.1364/oe.16.007756","title":"Optical resonances of bowtie slot antennas and their geometry and material dependence","issue":"11","publication_status":"published","publication_identifier":{"issn":["1094-4087"]},"citation":{"ama":"Guo H, Meyrath TP, Zentgraf T, et al. Optical resonances of bowtie slot antennas and their geometry and material dependence. <i>Optics Express</i>. 2008;16(11). doi:<a href=\"https://doi.org/10.1364/oe.16.007756\">10.1364/oe.16.007756</a>","chicago":"Guo, Hongcang, Todd P. Meyrath, Thomas Zentgraf, Na Liu, Liwei Fu, Heinz Schweizer, and Harald Giessen. “Optical Resonances of Bowtie Slot Antennas and Their Geometry and Material Dependence.” <i>Optics Express</i> 16, no. 11 (2008). <a href=\"https://doi.org/10.1364/oe.16.007756\">https://doi.org/10.1364/oe.16.007756</a>.","ieee":"H. Guo <i>et al.</i>, “Optical resonances of bowtie slot antennas and their geometry and material dependence,” <i>Optics Express</i>, vol. 16, no. 11, 2008.","apa":"Guo, H., Meyrath, T. P., Zentgraf, T., Liu, N., Fu, L., Schweizer, H., &#38; Giessen, H. (2008). Optical resonances of bowtie slot antennas and their geometry and material dependence. <i>Optics Express</i>, <i>16</i>(11). <a href=\"https://doi.org/10.1364/oe.16.007756\">https://doi.org/10.1364/oe.16.007756</a>","short":"H. Guo, T.P. Meyrath, T. Zentgraf, N. Liu, L. Fu, H. Schweizer, H. Giessen, Optics Express 16 (2008).","mla":"Guo, Hongcang, et al. “Optical Resonances of Bowtie Slot Antennas and Their Geometry and Material Dependence.” <i>Optics Express</i>, vol. 16, no. 11, 7756, The Optical Society, 2008, doi:<a href=\"https://doi.org/10.1364/oe.16.007756\">10.1364/oe.16.007756</a>.","bibtex":"@article{Guo_Meyrath_Zentgraf_Liu_Fu_Schweizer_Giessen_2008, title={Optical resonances of bowtie slot antennas and their geometry and material dependence}, volume={16}, DOI={<a href=\"https://doi.org/10.1364/oe.16.007756\">10.1364/oe.16.007756</a>}, number={117756}, journal={Optics Express}, publisher={The Optical Society}, author={Guo, Hongcang and Meyrath, Todd P. and Zentgraf, Thomas and Liu, Na and Fu, Liwei and Schweizer, Heinz and Giessen, Harald}, year={2008} }"},"intvolume":"        16","year":"2008"},{"year":"2008","citation":{"apa":"Valentine, J., Zhang, S., Zentgraf, T., Ulin-Avila, E., Genov, D. A., Bartal, G., &#38; Zhang, X. (2008). Three-dimensional optical metamaterial with a negative refractive index. <i>Nature</i>, <i>455</i>(7211), 376–379. <a href=\"https://doi.org/10.1038/nature07247\">https://doi.org/10.1038/nature07247</a>","short":"J. Valentine, S. Zhang, T. Zentgraf, E. Ulin-Avila, D.A. Genov, G. Bartal, X. Zhang, Nature 455 (2008) 376–379.","mla":"Valentine, Jason, et al. “Three-Dimensional Optical Metamaterial with a Negative Refractive Index.” <i>Nature</i>, vol. 455, no. 7211, Springer Nature, 2008, pp. 376–79, doi:<a href=\"https://doi.org/10.1038/nature07247\">10.1038/nature07247</a>.","bibtex":"@article{Valentine_Zhang_Zentgraf_Ulin-Avila_Genov_Bartal_Zhang_2008, title={Three-dimensional optical metamaterial with a negative refractive index}, volume={455}, DOI={<a href=\"https://doi.org/10.1038/nature07247\">10.1038/nature07247</a>}, number={7211}, journal={Nature}, publisher={Springer Nature}, author={Valentine, Jason and Zhang, Shuang and Zentgraf, Thomas and Ulin-Avila, Erick and Genov, Dentcho A. and Bartal, Guy and Zhang, Xiang}, year={2008}, pages={376–379} }","chicago":"Valentine, Jason, Shuang Zhang, Thomas Zentgraf, Erick Ulin-Avila, Dentcho A. Genov, Guy Bartal, and Xiang Zhang. “Three-Dimensional Optical Metamaterial with a Negative Refractive Index.” <i>Nature</i> 455, no. 7211 (2008): 376–79. <a href=\"https://doi.org/10.1038/nature07247\">https://doi.org/10.1038/nature07247</a>.","ieee":"J. Valentine <i>et al.</i>, “Three-dimensional optical metamaterial with a negative refractive index,” <i>Nature</i>, vol. 455, no. 7211, pp. 376–379, 2008.","ama":"Valentine J, Zhang S, Zentgraf T, et al. Three-dimensional optical metamaterial with a negative refractive index. <i>Nature</i>. 2008;455(7211):376-379. doi:<a href=\"https://doi.org/10.1038/nature07247\">10.1038/nature07247</a>"},"intvolume":"       455","page":"376-379","publication_status":"published","publication_identifier":{"issn":["0028-0836","1476-4687"]},"issue":"7211","title":"Three-dimensional optical metamaterial with a negative refractive index","doi":"10.1038/nature07247","date_updated":"2022-01-06T06:53:10Z","publisher":"Springer Nature","date_created":"2018-03-23T12:37:40Z","author":[{"last_name":"Valentine","full_name":"Valentine, Jason","first_name":"Jason"},{"full_name":"Zhang, Shuang","last_name":"Zhang","first_name":"Shuang"},{"first_name":"Thomas","last_name":"Zentgraf","orcid":"0000-0002-8662-1101","full_name":"Zentgraf, Thomas","id":"30525"},{"full_name":"Ulin-Avila, Erick","last_name":"Ulin-Avila","first_name":"Erick"},{"first_name":"Dentcho A.","full_name":"Genov, Dentcho A.","last_name":"Genov"},{"first_name":"Guy","full_name":"Bartal, Guy","last_name":"Bartal"},{"first_name":"Xiang","last_name":"Zhang","full_name":"Zhang, Xiang"}],"volume":455,"status":"public","type":"journal_article","publication":"Nature","_id":"1738","user_id":"30525","department":[{"_id":"15"},{"_id":"230"}]},{"publication":"Applied Physics B","type":"journal_article","status":"public","_id":"1739","department":[{"_id":"15"},{"_id":"230"}],"user_id":"30525","publication_identifier":{"issn":["0946-2171","1432-0649"]},"publication_status":"published","issue":"1","year":"2008","page":"107-110","intvolume":"        93","citation":{"apa":"Meyrath, T. P., Zentgraf, T., Rockstuhl, C., &#38; Giessen, H. (2008). Electromagnetic induction in metamaterials. <i>Applied Physics B</i>, <i>93</i>(1), 107–110. <a href=\"https://doi.org/10.1007/s00340-008-3207-z\">https://doi.org/10.1007/s00340-008-3207-z</a>","bibtex":"@article{Meyrath_Zentgraf_Rockstuhl_Giessen_2008, title={Electromagnetic induction in metamaterials}, volume={93}, DOI={<a href=\"https://doi.org/10.1007/s00340-008-3207-z\">10.1007/s00340-008-3207-z</a>}, number={1}, journal={Applied Physics B}, publisher={Springer Nature}, author={Meyrath, T. P. and Zentgraf, Thomas and Rockstuhl, C. and Giessen, H.}, year={2008}, pages={107–110} }","short":"T.P. Meyrath, T. Zentgraf, C. Rockstuhl, H. Giessen, Applied Physics B 93 (2008) 107–110.","mla":"Meyrath, T. P., et al. “Electromagnetic Induction in Metamaterials.” <i>Applied Physics B</i>, vol. 93, no. 1, Springer Nature, 2008, pp. 107–10, doi:<a href=\"https://doi.org/10.1007/s00340-008-3207-z\">10.1007/s00340-008-3207-z</a>.","chicago":"Meyrath, T. P., Thomas Zentgraf, C. Rockstuhl, and H. Giessen. “Electromagnetic Induction in Metamaterials.” <i>Applied Physics B</i> 93, no. 1 (2008): 107–10. <a href=\"https://doi.org/10.1007/s00340-008-3207-z\">https://doi.org/10.1007/s00340-008-3207-z</a>.","ieee":"T. P. Meyrath, T. Zentgraf, C. Rockstuhl, and H. Giessen, “Electromagnetic induction in metamaterials,” <i>Applied Physics B</i>, vol. 93, no. 1, pp. 107–110, 2008.","ama":"Meyrath TP, Zentgraf T, Rockstuhl C, Giessen H. 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