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727 Publications
2014 | Journal Article | LibreCat-ID: 10035
Li, Y., Sanna, S., & Schmidt, W. G. (2014). Modeling intrinsic defects in LiNbO3 within the Slater-Janak transition state model. The Journal of Chemical Physics. https://doi.org/10.1063/1.4883737
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 10036
Hölscher, R., Schmidt, W. G., & Sanna, S. (2014). Modeling LiNbO3 Surfaces at Ambient Conditions. The Journal of Physical Chemistry C, 10213–10220. https://doi.org/10.1021/jp502936f
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 13508
Guo, Q., Paulheim, A., Sokolowski, M., Aldahhak, H., Rauls, E., & Schmidt, W. G. (2014). Adsorption of PTCDA on Terraces and at Steps Sites of the KCl(100) Surface. The Journal of Physical Chemistry C, 118, 29911–29918. https://doi.org/10.1021/jp509663s
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 13509
Oh, D. M., Wippermann, S., Schmidt, W. G., & Yeom, H. W. (2014). Oxygen adsorbates on the Si(111)4×1-In metallic atomic wire: Scanning tunneling microscopy and density-functional theory calculations. Physical Review B, 90(15). https://doi.org/10.1103/physrevb.90.155432
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 13510
Hoffmann, A., Rohrmüller, M., Jesser, A., dos Santos Vieira, I., Schmidt, W. G., & Herres-Pawlis, S. (2014). Geometrical and optical benchmarking of copper(II) guanidine-quinoline complexes: Insights from TD-DFT and many-body perturbation theory (part II). Journal of Computational Chemistry, 35(29–30), 2146–2161. https://doi.org/10.1002/jcc.23740
LibreCat
| DOI
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
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 13513
Gerstmann, U., Vollmers, N. J., Lücke, A., Babilon, M., & Schmidt, W. G. (2014). Rashba splitting and relativistic energy shifts in In/Si(111) nanowires. Physical Review B, 89(16). https://doi.org/10.1103/physrevb.89.165431
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 13515
Sanna, S., Hölscher, R., & Schmidt, W. G. (2014). Temperature dependent LiNbO3(0001): Surface reconstruction and surface charge. Applied Surface Science, 70–78. https://doi.org/10.1016/j.apsusc.2014.01.104
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 13516
Sanna, S., Schmidt, W. G., Rode, S., Klassen, S., & Kühnle, A. (2014). Unraveling theLiNbO3X-cut surface by atomic force microscopy and density functional theory. Physical Review B, 89(7). https://doi.org/10.1103/physrevb.89.075403
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 15863
Vollbrecht, J., Bock, H., Wiebeler, C., Schumacher, S., & Kitzerow, H.-S. (2014). Polycyclic Aromatic Hydrocarbons Obtained by Lateral Core Extension of Mesogenic Perylenes: Absorption and Optoelectronic Properties. Chemistry - A European Journal, 12026–12031. https://doi.org/10.1002/chem.201403287
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 22955
Driben, R., & Meier, T. (2014). Nonlinear dynamics of Airy-vortex 3D wave packets: emission of vortex light waves. Optics Letters, 39(19), 5539–5542. https://doi.org/10.1364/ol.39.005539
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 22954
Driben, R., Konotop, V. V., & Meier, T. (2014). Coupled Airy breathers. Optics Letters, 39(19), 5523–5526. https://doi.org/10.1364/ol.39.005523
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 15864
Liu, H., Schumacher, S., & Meier, T. (2014). Influence of Coulomb-induced band couplings on linear excitonic absorption spectra of semiconducting carbon nanotubes. Physical Review B, 89(15), Article 155407. https://doi.org/10.1103/physrevb.89.155407
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 22958
Driben, R., & Meier, T. (2014). Regeneration of Airy pulses in fiber-optic links with dispersion management of the two leading dispersion terms of opposite signs. Physical Review A, 89(4), Article 043817. https://doi.org/10.1103/physreva.89.043817
LibreCat
| DOI
2013 | Book Chapter | LibreCat-ID: 18475
Riefer, A., Rohrmüller, M., Landmann, M., Sanna, S., Rauls, E., Vollmers, N. J., … Schmidt, W. G. (2013). Lithium niobate dielectric function and second-order polarizability tensor from massively parallel ab initio calculations. In W. E. Nagel, D. H. Kröner, & M. M. Resch (Eds.), High Performance Computing in Science and Engineering ‘13 (pp. 93–104). Cham: Springer. https://doi.org/10.1007/978-3-319-02165-2_8
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| WoS
2013 | Journal Article | LibreCat-ID: 15866
Ardizzone, V., Lewandowski, P., Luk, M. H., Tse, Y. C., Kwong, N. H., Lücke, A., … Schumacher, S. (2013). Formation and control of Turing patterns in a coherent quantum fluid. Scientific Reports. https://doi.org/10.1038/srep03016
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 15867
Tautz, R., Da Como, E., Wiebeler, C., Soavi, G., Dumsch, I., Fröhlich, N., … Feldmann, J. (2013). Charge Photogeneration in Donor–Acceptor Conjugated Materials: Influence of Excess Excitation Energy and Chain Length. Journal of the American Chemical Society, 4282–4290. https://doi.org/10.1021/ja309252a
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 15868
Luk, M. H., Tse, Y. C., Kwong, N. H., Leung, P. T., Lewandowski, P., Binder, R., & Schumacher, S. (2013). Transverse optical instability patterns in semiconductor microcavities: Polariton scattering and low-intensity all-optical switching. Physical Review B. https://doi.org/10.1103/physrevb.87.205307
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 15870
Ling, S., Schumacher, S., Galbraith, I., & Paterson, M. J. (2013). Excited-State Absorption of Conjugated Polymers in the Near-Infrared and Visible: A Computational Study of Oligofluorenes. The Journal of Physical Chemistry C, 6889–6895. https://doi.org/10.1021/jp401359a
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 13517
Jesser, A., Rohrmüller, M., Schmidt, W. G., & Herres-Pawlis, S. (2013). Geometrical and optical benchmarking of copper guanidine-quinoline complexes: Insights from TD-DFT and many-body perturbation theory†. Journal of Computational Chemistry, 35(1–2), 1–17. https://doi.org/10.1002/jcc.23449
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| DOI