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27 Publications
2019 | Journal Article | LibreCat-ID: 13429 | 
Bocchini, A., Neufeld, S., Gerstmann, U., & Schmidt, W. G. (2019). Oxygen and potassium vacancies in KTP calculated from first principles. Journal of Physics: Condensed Matter, 31, 385401. https://doi.org/10.1088/1361-648x/ab295c
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2017 | Journal Article | LibreCat-ID: 7481
Riefer, A., Weber, N., Mund, J., Yakovlev, D. R., Bayer, M., Schindlmayr, A., … Schmidt, W. G. (2017). Zn–VI quasiparticle gaps and optical spectra from many-body calculations. Journal of Physics: Condensed Matter, 29(21). https://doi.org/10.1088/1361-648x/aa6b2a
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2017 | Journal Article | LibreCat-ID: 13418
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
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2017 | Journal Article | LibreCat-ID: 13803
Giannozzi, P., Andreussi, O., Brumme, T., Bunau, O., Buongiorno Nardelli, M., Calandra, M., … Baroni, S. (2017). Advanced capabilities for materials modelling with Quantum ESPRESSO. Journal of Physics: Condensed Matter, 29(46). https://doi.org/10.1088/1361-648x/aa8f79
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2015 | Journal Article | LibreCat-ID: 10030
Friedrich, M., Riefer, A., Sanna, S., Schmidt, W. G., & Schindlmayr, A. (2015). Phonon dispersion and zero-point renormalization of LiNbO3 from density-functional perturbation theory. Journal of Physics: Condensed Matter, 27(38). https://doi.org/10.1088/0953-8984/27/38/385402
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2015 | Journal Article | LibreCat-ID: 13922
Liu, H., Heinze, D. F., Thanh Duc, H., Schumacher, S., & Meier, T. (2015). Curvature effects in the band structure of carbon nanotubes including spin–orbit coupling. Journal of Physics: Condensed Matter, 27(44), Article 445501. https://doi.org/10.1088/0953-8984/27/44/445501
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2015 | Journal Article | LibreCat-ID: 22946
Liu, H., Heinze, D. F., Thanh Duc, H., Schumacher, S., & Meier, T. (2015). Curvature effects in the band structure of carbon nanotubes including spin–orbit coupling. Journal of Physics: Condensed Matter, 27(44), Article 445501. https://doi.org/10.1088/0953-8984/27/44/445501
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2014 | Journal Article | LibreCat-ID: 13511
Landmann, M., Köhler, T., Rauls, E., Frauenheim, T., & Schmidt, W. G. (2014). The atomic structure of ternary amorphous TixSi1−xO2hybrid oxides. Journal of Physics: Condensed Matter, 26. https://doi.org/10.1088/0953-8984/26/25/253201
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2013 | Journal Article | LibreCat-ID: 7260
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
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2013 | Journal Article | LibreCat-ID: 4111
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
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2012 | Journal Article | LibreCat-ID: 18542
Friedrich, C., Betzinger, M., Schlipf, M., Blügel, S., & Schindlmayr, A. (2012). Hybrid functionals and GW approximation in the FLAPW method. Journal of Physics: Condensed Matter, 24(29). https://doi.org/10.1088/0953-8984/24/29/293201
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2012 | Journal Article | LibreCat-ID: 7325
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
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2012 | Journal Article | LibreCat-ID: 13545
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
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2011 | Journal Article | LibreCat-ID: 29677
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
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2009 | Journal Article | LibreCat-ID: 13662
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
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2009 | Journal Article | LibreCat-ID: 13802
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
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2008 | Journal Article | LibreCat-ID: 4557
Zrenner, A., Ester, P., Michaelis de Vasconcellos, S., Hübner, M. C., Lackmann, L., Stufler, S., & Bichler, M. (2008). Coherent optoelectronics with single quantum dots. Journal of Physics: Condensed Matter, 20(45). https://doi.org/10.1088/0953-8984/20/45/454210
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2008 | Journal Article | LibreCat-ID: 8616
Kaiser, F. J., Kohler, S., Hänggi, P., Malecha, M., Ebbecke, J., Wixforth, A., … Wieck, A. D. (2008). Theoretical and experimental investigations of Coulomb blockade in coupled quantum dot systems. Journal of Physics: Condensed Matter. https://doi.org/10.1088/0953-8984/20/37/374108
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2008 | Journal Article | LibreCat-ID: 13672
Hermann, A., Schwerdtfeger, P., & Schmidt, W. G. (2008). Theoretical study of the localization of excess electrons at the surface of ice. Journal of Physics: Condensed Matter, 20. https://doi.org/10.1088/0953-8984/20/22/225003
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2007 | Journal Article | LibreCat-ID: 8629
Pugžlys, A., Rizo, P. J., Ivanin, K., Slachter, A., Reuter, D., Wieck, A. D., … Loosdrecht, P. H. M. van. (2007). Charge and spin dynamics in a two-dimensional electron gas. Journal of Physics: Condensed Matter. https://doi.org/10.1088/0953-8984/19/29/295206
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