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983 Publications
2017 | Journal Article | LibreCat-ID: 13416 | 
M. Friedrich, W. G. Schmidt, A. Schindlmayr, and S. Sanna, “Polaron optical absorption in congruent lithium niobate from time-dependent density-functional theory,” Physical Review Materials, vol. 1, no. 5, Art. no. 054406, 2017, doi: 10.1103/PhysRevMaterials.1.054406.
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2017 | Journal Article | LibreCat-ID: 13419
T. Frigge et al., “Optically excited structural transition in atomic wires on surfaces at the quantum limit,” Nature, vol. 544, pp. 207–211, 2017, doi: 10.1038/nature21432.
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| DOI
2017 | Journal Article | LibreCat-ID: 13421
M. Landmann, E. Rauls, and W. G. Schmidt, “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,” Physical Review B, vol. 95, no. 15, 2017, doi: 10.1103/physrevb.95.155310.
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| DOI
2017 | Journal Article | LibreCat-ID: 13415
C. Braun, C. Hogan, S. Chandola, N. Esser, S. Sanna, and W. G. Schmidt, “Si(775)-Au atomic chains: Geometry, optical properties, and spin order,” Physical Review Materials, vol. 1, no. 5, 2017, doi: 10.1103/physrevmaterials.1.055002.
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| DOI
2017 | Journal Article | LibreCat-ID: 13422
M. Witte, M. Rohrmüller, U. Gerstmann, G. Henkel, W. G. Schmidt, and S. Herres-Pawlis, “[Cu6(NGuaS)6]2+ and its oxidized and reduced derivatives: Confining electrons on a torus,” Journal of Computational Chemistry, pp. 1752–1761, 2017, doi: 10.1002/jcc.24798.
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| DOI
2017 | Journal Article | LibreCat-ID: 13417
A. Lücke, U. Gerstmann, T. D. Kühne, and W. G. Schmidt, “Efficient PAW-based bond strength analysis for understanding the In/Si(111)(8 × 2) - (4 × 1) phase transition,” Journal of Computational Chemistry, pp. 2276–2282, 2017, doi: 10.1002/jcc.24878.
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13414
A. Riefer and W. G. Schmidt, “Solving the Bethe-Salpeter equation for the second-harmonic generation in Zn chalcogenides,” Physical Review B, vol. 96, no. 23, 2017, doi: 10.1103/physrevb.96.235206.
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| DOI
2017 | Journal Article | LibreCat-ID: 13420
D. Nozaki and W. G. Schmidt, “Current density analysis of electron transport through molecular wires in open quantum systems,” Journal of Computational Chemistry, vol. 38, pp. 1685–1692, 2017, doi: 10.1002/jcc.24812.
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13418
S. Sanna and W. G. Schmidt, “LiNbO3 surfaces from a microscopic perspective,” Journal of Physics: Condensed Matter, Art. no. 413001, 2017, doi: 10.1088/1361-648x/aa818d.
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2017 | Journal Article | LibreCat-ID: 13412
D. D. Konieczna, H. Biller, M. Witte, W. G. Schmidt, A. Neuba, and R. Wilhelm, “New pyridinium based ionic dyes for the hydrogen evolution reaction,” Tetrahedron, pp. 142–149, 2017, doi: 10.1016/j.tet.2017.11.053.
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 3435
D. Heinze, A. Zrenner, and S. Schumacher, “Polarization-entangled twin photons from two-photon quantum-dot emission,” Physical Review B, no. 24, 2017, doi: 10.1103/PhysRevB.95.245306.
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| DOI
2017 | Journal Article | LibreCat-ID: 13359
X. Ma, O. A. Egorov, and S. Schumacher, “Creation and Manipulation of Stable Dark Solitons and Vortices in Microcavity Polariton Condensates,” Physical Review Letters, vol. 118, no. 15, Art. no. 157401, 2017, doi: 10.1103/physrevlett.118.157401.
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| DOI
2017 | Journal Article | LibreCat-ID: 13358
J. Vollbrecht, C. Wiebeler, S. Schumacher, H. Bock, and H.-S. Kitzerow, “Enhanced columnar mesophase range through distortions in arene cores,” Molecular Crystals and Liquid Crystals, pp. 66–73, 2017, doi: 10.1080/15421406.2017.1284387.
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13361
O. Lafont et al., “Controlling the optical spin Hall effect with light,” Applied Physics Letters, Art. no. 061108, 2017, doi: 10.1063/1.4975681.
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| DOI
2017 | Journal Article | LibreCat-ID: 13356
X. Ma and S. Schumacher, “Vortex-vortex control in exciton-polariton condensates,” Physical Review B, vol. 95, no. 23, Art. no. 235301, 2017, doi: 10.1103/physrevb.95.235301.
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13803
P. Giannozzi et al., “Advanced capabilities for materials modelling with Quantum ESPRESSO,” Journal of Physics: Condensed Matter, vol. 29, no. 46, Art. no. 465901, 2017, doi: 10.1088/1361-648x/aa8f79.
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 7481
A. Riefer et al., “Zn–VI quasiparticle gaps and optical spectra from many-body calculations,” Journal of Physics: Condensed Matter, vol. 29, no. 21, Art. no. 215702, 2017, doi: 10.1088/1361-648x/aa6b2a.
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| PubMed | Europe PMC
2017 | Journal Article | LibreCat-ID: 40389
L. Beltran et al., “Orbital angular momentum modes of high-gain parametric down-conversion,” Journal of Optics, vol. 19, no. 4, Art. no. 044005, 2017, doi: 10.1088/2040-8986/aa600f.
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 40391
S. N. Balybin, P. Sharapova, and O. V. Tikhonova, “Coherent control of atomic qubits by non-classical light,” The European Physical Journal D, vol. 71, no. 5, Art. no. 109, 2017, doi: 10.1140/epjd/e2017-70712-y.
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13909
M. Salewski et al., “High-Resolution Two-Dimensional Optical Spectroscopy of Electron Spins,” Physical Review X, vol. 7, no. 3, Art. no. 031030, 2017, doi: 10.1103/physrevx.7.031030.
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