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2202 Publications
2017 | Journal Article | LibreCat-ID: 13419
Optically excited structural transition in atomic wires on surfaces at the quantum limit
T. Frigge, B. Hafke, T. Witte, B. Krenzer, C. Streubühr, A. Samad Syed, V. Mikšić Trontl, I. Avigo, P. Zhou, M. Ligges, D. von der Linde, U. Bovensiepen, M. Horn-von Hoegen, S. Wippermann, A. Lücke, S. Sanna, U. Gerstmann, W.G. Schmidt, Nature 544 (2017) 207–211.
LibreCat
| DOI
T. Frigge, B. Hafke, T. Witte, B. Krenzer, C. Streubühr, A. Samad Syed, V. Mikšić Trontl, I. Avigo, P. Zhou, M. Ligges, D. von der Linde, U. Bovensiepen, M. Horn-von Hoegen, S. Wippermann, A. Lücke, S. Sanna, U. Gerstmann, W.G. Schmidt, Nature 544 (2017) 207–211.
2017 | Journal Article | LibreCat-ID: 13420
Current density analysis of electron transport through molecular wires in open quantum systems
D. Nozaki, W.G. Schmidt, Journal of Computational Chemistry 38 (2017) 1685–1692.
LibreCat
| DOI
D. Nozaki, W.G. Schmidt, Journal of Computational Chemistry 38 (2017) 1685–1692.
2017 | Journal Article | LibreCat-ID: 13421
Understanding band alignments in semiconductor heterostructures: Composition dependence and type-I–type-II transition of natural band offsets in nonpolar zinc-blendeAlxGa1−xN/AlyGa1−yNcomposites
M. Landmann, E. Rauls, W.G. Schmidt, Physical Review B 95 (2017).
LibreCat
| DOI
M. Landmann, E. Rauls, W.G. Schmidt, Physical Review B 95 (2017).
2017 | Journal Article | LibreCat-ID: 13422
[Cu6(NGuaS)6]2+ and its oxidized and reduced derivatives: Confining electrons on a torus
M. Witte, M. Rohrmüller, U. Gerstmann, G. Henkel, W.G. Schmidt, S. Herres-Pawlis, Journal of Computational Chemistry (2017) 1752–1761.
LibreCat
| DOI
M. Witte, M. Rohrmüller, U. Gerstmann, G. Henkel, W.G. Schmidt, S. Herres-Pawlis, Journal of Computational Chemistry (2017) 1752–1761.
2017 | Journal Article | LibreCat-ID: 13423
On-Surface Site-Selective Cyclization of Corrole Radicals
S. Tebi, M. Paszkiewicz, H. Aldahhak, F. Allegretti, S. Gonglach, M. Haas, M. Waser, P.S. Deimel, P.C. Aguilar, Y.-Q. Zhang, A.C. Papageorgiou, D.A. Duncan, J.V. Barth, W.G. Schmidt, R. Koch, U. Gerstmann, E. Rauls, F. Klappenberger, W. Schöfberger, S. Müllegger, ACS Nano (2017) 3383–3391.
LibreCat
| DOI
S. Tebi, M. Paszkiewicz, H. Aldahhak, F. Allegretti, S. Gonglach, M. Haas, M. Waser, P.S. Deimel, P.C. Aguilar, Y.-Q. Zhang, A.C. Papageorgiou, D.A. Duncan, J.V. Barth, W.G. Schmidt, R. Koch, U. Gerstmann, E. Rauls, F. Klappenberger, W. Schöfberger, S. Müllegger, ACS Nano (2017) 3383–3391.
2017 | Journal Article | LibreCat-ID: 13424
X-ray Spectroscopy of Thin Film Free-Base Corroles: A Combined Theoretical and Experimental Characterization
H. Aldahhak, M. Paszkiewicz, F. Allegretti, D.A. Duncan, S. Tebi, P.S. Deimel, P. Casado Aguilar, Y.-Q. Zhang, A.C. Papageorgiou, R. Koch, J.V. Barth, W.G. Schmidt, S. Müllegger, W. Schöfberger, F. Klappenberger, E. Rauls, U. Gerstmann, The Journal of Physical Chemistry C 121 (2017) 2192–2200.
LibreCat
| DOI
H. Aldahhak, M. Paszkiewicz, F. Allegretti, D.A. Duncan, S. Tebi, P.S. Deimel, P. Casado Aguilar, Y.-Q. Zhang, A.C. Papageorgiou, R. Koch, J.V. Barth, W.G. Schmidt, S. Müllegger, W. Schöfberger, F. Klappenberger, E. Rauls, U. Gerstmann, The Journal of Physical Chemistry C 121 (2017) 2192–2200.
2017 | Journal Article | LibreCat-ID: 13425
Electron paramagnetic resonance calculations for hydrogenated Si surfaces
M. Rohrmüller, W.G. Schmidt, U. Gerstmann, Physical Review B 95 (2017).
LibreCat
| DOI
M. Rohrmüller, W.G. Schmidt, U. Gerstmann, Physical Review B 95 (2017).
2017 | Journal Article | LibreCat-ID: 13426
Tuning the conductivity along atomic chains by selective chemisorption
F. Edler, I. Miccoli, J.P. Stöckmann, H. Pfnür, C. Braun, S. Neufeld, S. Sanna, W.G. Schmidt, C. Tegenkamp, Physical Review B 95 (2017).
LibreCat
| DOI
F. Edler, I. Miccoli, J.P. Stöckmann, H. Pfnür, C. Braun, S. Neufeld, S. Sanna, W.G. Schmidt, C. Tegenkamp, Physical Review B 95 (2017).
2017 | Journal Article | LibreCat-ID: 13427
Molecular Orbital Rule for Quantum Interference in Weakly Coupled Dimers: Low-Energy Giant Conductivity Switching Induced by Orbital Level Crossing
D. Nozaki, A. Lücke, W.G. Schmidt, The Journal of Physical Chemistry Letters (2017) 727–732.
LibreCat
| DOI
D. Nozaki, A. Lücke, W.G. Schmidt, The Journal of Physical Chemistry Letters (2017) 727–732.
2017 | Journal Article | LibreCat-ID: 10020
Understanding band alignments in semiconductor heterostructures: Composition dependence and type-I–type-II transition of natural band offsets in nonpolar zinc-blendeAlxGa1−xN/AlyGa1−yNcomposites
M. Landmann, E. Rauls, W.G. Schmidt, Physical Review B (2017).
LibreCat
| DOI
M. Landmann, E. Rauls, W.G. Schmidt, Physical Review B (2017).
2017 | Journal Article | LibreCat-ID: 10021 | 
Optical properties of titanium-doped lithium niobate from time-dependent density-functional theory
M. Friedrich, W.G. Schmidt, A. Schindlmayr, S. Sanna, Physical Review Materials 1 (2017).
LibreCat
| Files available
| DOI
| WoS
M. Friedrich, W.G. Schmidt, A. Schindlmayr, S. Sanna, Physical Review Materials 1 (2017).
2017 | Journal Article | LibreCat-ID: 10023 |
Consistent atomic geometries and electronic structure of five phases of potassium niobate from density-functional theory
F. Schmidt, M. Landmann, E. Rauls, N. Argiolas, S. Sanna, W.G. Schmidt, A. Schindlmayr, Advances in Materials Science and Engineering 2017 (2017).
LibreCat
| Files available
| DOI
| WoS
F. Schmidt, M. Landmann, E. Rauls, N. Argiolas, S. Sanna, W.G. Schmidt, A. Schindlmayr, Advances in Materials Science and Engineering 2017 (2017).
2017 | Journal Article | LibreCat-ID: 13803
Advanced capabilities for materials modelling with Quantum ESPRESSO
P. Giannozzi, O. Andreussi, T. Brumme, O. Bunau, M. Buongiorno Nardelli, M. Calandra, R. Car, C. Cavazzoni, D. Ceresoli, M. 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).
LibreCat
| DOI
P. Giannozzi, O. Andreussi, T. Brumme, O. Bunau, M. Buongiorno Nardelli, M. Calandra, R. Car, C. Cavazzoni, D. Ceresoli, M. 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).
2017 | Journal Article | LibreCat-ID: 13359
Creation and Manipulation of Stable Dark Solitons and Vortices in Microcavity Polariton Condensates
X. Ma, O.A. Egorov, S. Schumacher, Physical Review Letters 118 (2017).
LibreCat
| DOI
X. Ma, O.A. Egorov, S. Schumacher, Physical Review Letters 118 (2017).
2017 | Journal Article | LibreCat-ID: 13356
Vortex-vortex control in exciton-polariton condensates
X. Ma, S. Schumacher, Physical Review B 95 (2017).
LibreCat
| DOI
X. Ma, S. Schumacher, Physical Review B 95 (2017).
2017 | Bachelorsthesis | LibreCat-ID: 31301
Identifying and Realizing Symmetries in Quantum Walks - Symmetry Classes and Quantum Walks
P. Schütte, Identifying and Realizing Symmetries in Quantum Walks - Symmetry Classes and Quantum Walks, 2017.
LibreCat
P. Schütte, Identifying and Realizing Symmetries in Quantum Walks - Symmetry Classes and Quantum Walks, 2017.
2017 | Journal Article | LibreCat-ID: 35682
Physikdidaktische Forschung in der Hochschule. Eine Übersicht über Forschungsdesigns & -methoden
D. Woitkowski, C. Vogelsang, die hochschullehre 3 (2017).
LibreCat
| DOI
D. Woitkowski, C. Vogelsang, die hochschullehre 3 (2017).
2017 | Journal Article | LibreCat-ID: 35487
Die Messung fachdidaktischen Wissens bei Anfängern und Fortgeschrittenen im Lehramtsstudiengang Physik
J. Riese, Y. Gramzow, P. Reinhold, Zeitschrift für Didaktik der Naturwissenschaften 23 (2017) 99–112.
LibreCat
| DOI
J. Riese, Y. Gramzow, P. Reinhold, Zeitschrift für Didaktik der Naturwissenschaften 23 (2017) 99–112.
2017 | Journal Article | LibreCat-ID: 3997
Two-dimensional switchable blue phase gratings manufactured by nanosphere lithography
M. Wahle, K. Brassat, J. Ebel, J. Bürger, J. Lindner, H.-S. Kitzerow, Optics Express 25 25 (2017) 22608–22619.
LibreCat
| Files available
| DOI
M. Wahle, K. Brassat, J. Ebel, J. Bürger, J. Lindner, H.-S. Kitzerow, Optics Express 25 25 (2017) 22608–22619.
2017 | Journal Article | LibreCat-ID: 13358
Enhanced columnar mesophase range through distortions in arene cores
J. Vollbrecht, C. Wiebeler, S. Schumacher, H. Bock, H.-S. Kitzerow, Molecular Crystals and Liquid Crystals (2017) 66–73.
LibreCat
| DOI
J. Vollbrecht, C. Wiebeler, S. Schumacher, H. Bock, H.-S. Kitzerow, Molecular Crystals and Liquid Crystals (2017) 66–73.