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882 Publications


2020 | Journal Article | LibreCat-ID: 19190 | OA
Free and defect-bound (bi)polarons in LiNbO3: Atomic structure and spectroscopic signatures from ab initio calculations
F. Schmidt, A.L. Kozub, T. Biktagirov, C. Eigner, C. Silberhorn, A. Schindlmayr, W.G. Schmidt, U. Gerstmann, Physical Review Research 2 (2020).
LibreCat | Files available | DOI | WoS
 

2020 | Journal Article | LibreCat-ID: 29744
A photoredox catalysed Heck reaction via hole transfer from a Ru(ii)-bis(terpyridine) complex to graphene oxide
M. Rosenthal, J. Lindner, U. Gerstmann, A. Meier, W.G. Schmidt, R. Wilhelm, RSC Advances 10 (2020) 42930–42937.
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2020 | Journal Article | LibreCat-ID: 17066
Toward Efficient Toxic-Gas Detectors: Exploring Molecular Interactions of Sarin and Dimethyl Methylphosphonate with Metal-Centered Phthalocyanine Structures
H. Aldahhak, P. Powroźnik, P. Pander, W. Jakubik, F.B. Dias, W.G. Schmidt, U. Gerstmann, M. Krzywiecki, The Journal of Physical Chemistry C (2020) 6090–6102.
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2020 | Journal Article | LibreCat-ID: 17068
Vibration-Driven Self-Doping of Dangling-Bond Wires on Si(553)-Au Surfaces
C. Braun, S. Neufeld, U. Gerstmann, S. Sanna, J. Plaickner, E. Speiser, N. Esser, W.G. Schmidt, Physical Review Letters 124 (2020).
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2020 | Journal Article | LibreCat-ID: 17069 LibreCat | DOI
 

2020 | Journal Article | LibreCat-ID: 19194 LibreCat | DOI
 

2020 | Journal Article | LibreCat-ID: 19193
Tetracene Ultrathin Film Growth on Hydrogen-Passivated Silicon
J. Niederhausen, R.W. MacQueen, K. Lips, H. Aldahhak, W.G. Schmidt, U. Gerstmann, Langmuir (2020) 9099–9113.
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2020 | Journal Article | LibreCat-ID: 19654
Photochemical Ring Opening of Oxirane Modeled by Constrained Density Functional Theory
M. Krenz, U. Gerstmann, W.G. Schmidt, ACS Omega (2020) 24057–24063.
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2020 | Journal Article | LibreCat-ID: 22883
Carrier-wave population transfer in semiconductors
R. Zuo, X. Song, T. Meier, W. Yang, Journal of Physics: Conference Series 1412 (2020).
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2020 | Journal Article | LibreCat-ID: 26290
Probing nonclassicality with matrices of phase-space distributions
M. Bohmann, E. Agudelo, J. Sperling, Quantum (2020).
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2020 | Journal Article | LibreCat-ID: 26292
Classical evolution in quantum systems
J. Sperling, I.A. Walmsley, Physica Scripta (2020).
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2020 | Journal Article | LibreCat-ID: 40438 LibreCat | DOI
 

2020 | Journal Article | LibreCat-ID: 20586
Chiral condensates in a polariton hexagonal ring.
X. Ma, Y. Kartashov, A. Kavokin, S. Schumacher, Optics Letters 45 (2020) 5700–5703.
LibreCat | DOI | PubMed | Europe PMC
 

2020 | Journal Article | LibreCat-ID: 40444
Carbon vacancy-related centers in 3C-silicon carbide: Negative-U properties and structural transformation
H.J. von Bardeleben, E. Rauls, U. Gerstmann, Physical Review B 101 (2020).
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2020 | Journal Article | LibreCat-ID: 17070
Electron paramagnetic resonance study of ferroelectric phase transition and dynamic effects in a Mn2+ doped [NH4][Zn(HCOO)3] hybrid formate framework
M. Navickas, L. Giriūnas, V. Kalendra, T. Biktagirov, U. Gerstmann, W.G. Schmidt, M. Mączka, A. Pöppl, J. Banys, M. Šimėnas, Physical Chemistry Chemical Physics 22 (2020) 8513–8521.
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2020 | Journal Article | LibreCat-ID: 29745 LibreCat | DOI
 

2020 | Journal Article | LibreCat-ID: 19189 | OA
Photocatalytic properties of graphene‐supported titania clusters from density‐functional theory
S. Badalov, R. Wilhelm, W.G. Schmidt, Journal of Computational Chemistry (2020) 1921–1930.
LibreCat | Files available | DOI | Download (ext.)
 

2020 | Journal Article | LibreCat-ID: 20773
Accurate photon echo timing by optical freezing of exciton dephasing and rephasing in quantum dots
A.N. Kosarev, H. Rose, S.V. Poltavtsev, M. Reichelt, C. Schneider, M. Kamp, S. Höfling, M. Bayer, T. Meier, I.A. Akimov, Communications Physics 3 (2020).
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2020 | Journal Article | LibreCat-ID: 43747 | OA
Realization of all-optical vortex switching in exciton-polariton condensates
T. Meier, X. Ma, B. Berger, M. Aßmann, R. Driben, C. Schneider, S. Höfling, S. Schumacher, Nature Communications 11 (2020) 897.
LibreCat | DOI | Download (ext.)
 

2020 | Conference Paper | LibreCat-ID: 20770
k.p-based multiband simulations of non-degenerate two-photon absorption in bulk GaAs
W.-R. Hannes, T. Meier, in: M. Betz, A.Y. Elezzabi (Eds.), Ultrafast Phenomena and Nanophotonics XXIV, 2020, p. 112780S.
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2020 | Journal Article | LibreCat-ID: 20563
Strongly nonresonant four-wave mixing in semiconductors
W.-R. Hannes, A. Trautmann, M. Stein, F. Schäfer, M. Koch, T. Meier, Physical Review B 101 (2020) 075203.
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2020 | Journal Article | LibreCat-ID: 20772
Enhanced high-order harmonic generation in semiconductors by excitation with multicolor pulses
X. Song, S. Yang, R. Zuo, T. Meier, W. Yang, Physical Review A 101 (2020).
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2020 | Journal Article | LibreCat-ID: 20682
Understanding gray track formation in KTP: Ti^3+ centers studied from first principles
A. Bocchini, C. Eigner, C. Silberhorn, W.G. Schmidt, U. Gerstmann, Phys. Rev. Materials 4 (2020) 124402.
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2020 | Journal Article | LibreCat-ID: 20580
Realization of all-optical vortex switching in exciton-polariton condensates
X. Ma, B. Berger, M. Aßmann, R. Driben, T. Meier, C. Schneider, S. Höfling, S. Schumacher, Nature Communications 11 (2020) 897.
LibreCat | DOI | PubMed | Europe PMC
 

2019 | Journal Article | LibreCat-ID: 13343
Curved Polar Dibenzocoronene Esters and Imides versus Their Planar Centrosymmetric Homologs: Photophysical and Optoelectronic Analysis
J. Vollbrecht, C. Wiebeler, H. Bock, S. Schumacher, H.-S. Kitzerow, The Journal of Physical Chemistry C 123 (2019) 4483–4492.
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2019 | Preprint | LibreCat-ID: 13340 LibreCat
 
 

2019 | Journal Article | LibreCat-ID: 15851
Controllable high-speed polariton waves in a PT-symmetric lattice
X. Ma, Y.Y. Kartashov, T. Gao, S. Schumacher, New Journal of Physics 21 (2019).
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2019 | Journal Article | LibreCat-ID: 40384
Temporally multimode four-photon Hong-Ou-Mandel interference
A. Ferreri, V. Ansari, C. Silberhorn, P.R. Sharapova, Physical Review A 100 (2019).
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2019 | Journal Article | LibreCat-ID: 14544
Spatially asymmetric transients of propagating exciton-polariton modes in a planar CdZnTe/CdMgTe guiding structure
J. Vondran, F. Spitzer, M. Bayer, I.A. Akimov, A. Trautmann, M. Reichelt, C. Meier, N. Weber, T. Meier, R. André, H. Mariette, Physical Review B 100 (2019) 155308.
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2019 | Journal Article | LibreCat-ID: 10014 | OA
Quasiparticle and excitonic effects in the optical response of KNbO3
F. Schmidt, A. Riefer, W.G. Schmidt, A. Schindlmayr, M. Imlau, F. Dobener, N. Mengel, S. Chatterjee, S. Sanna, Physical Review Materials 3 (2019).
LibreCat | Files available | DOI | WoS
 

2019 | Journal Article | LibreCat-ID: 29746
Excited-state band mapping and momentum-resolved ultrafast population dynamics in In/Si(111) nanowires investigated with XUV-based time- and angle-resolved photoemission spectroscopy
C.W. Nicholson, M. Puppin, A. Lücke, U. Gerstmann, M. Krenz, W.G. Schmidt, L. Rettig, R. Ernstorfer, M. Wolf, Physical Review B 99 (2019).
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2019 | Journal Article | LibreCat-ID: 10015
Water Splitting Reaction at Polar Lithium Niobate Surfaces
C. Dues, W.G. Schmidt, S. Sanna, ACS Omega (2019) 3850–3859.
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2019 | Journal Article | LibreCat-ID: 26296
Mode-independent quantum entanglement for light
J. Sperling, A. Perez-Leija, K. Busch, C. Silberhorn, Physical Review A (2019).
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2019 | Journal Article | LibreCat-ID: 37288
Nonlinear integrated quantum electro-optic circuits
K.-H. Luo, S. Brauner, C. Eigner, P. Sharapova, R. Ricken, T. Meier, H. Herrmann, C. Silberhorn, Science Advances 5 (2019).
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2019 | Conference Paper | LibreCat-ID: 13285
Intensity-dependent degenerate and non-degenerate nonlinear optical absorption of direct-gap semiconductors
W.-R. Hannes, L. Krauß-Kodytek, C. Ruppert, M. Betz, T. Meier, in: M. Betz, A.Y. Elezzabi (Eds.), Ultrafast Phenomena and Nanophotonics XXIII, 2019.
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2019 | Journal Article | LibreCat-ID: 13365 | OA
Potassium titanyl phosphate (KTP) quasiparticle energies and optical response
S. Neufeld, A. Bocchini, U. Gerstmann, A. Schindlmayr, W.G. Schmidt, Journal of Physics: Materials 2 (2019) 045003.
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2019 | Journal Article | LibreCat-ID: 26300
Experimental Reconstruction of Entanglement Quasiprobabilities
J. Sperling, E. Meyer-Scott, S. Barkhofen, B. Brecht, C. Silberhorn, Physical Review Letters (2019).
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2019 | Conference Paper | LibreCat-ID: 43748
Subcycle Wannier-Stark Localization by Mid-Infrared Bias in Gallium Arsenide
T. Meier, J. Bühler, C. Schmidt, A.-C. Heinrich, J. Allerbeck, R. Podzimski, D. Berghoff, W.G. Schmidt, C. Reichl, W. Wegscheider, D. Brida, A. Leitenstorfer, in: XXI International Conference on Ultrafast Phenomena 2018 (UP 2018), EDP Sciences, 2019.
LibreCat | DOI | Download (ext.)
 

2019 | Journal Article | LibreCat-ID: 22887
Spatially asymmetric transients of propagating exciton-polariton modes in a planar CdZnTe/CdMgTe guiding structure
J. Vondran, F. Spitzer, M. Bayer, I.A. Akimov, A. Trautmann, M. Reichelt, C. Meier, N. Weber, T. Meier, R. André, H. Mariette, Physical Review B 100 (2019) 155308.
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2019 | Preprint | LibreCat-ID: 22884 | OA
Generating two-mode squeezing with multimode measurement-induced nonlinearity
M. Riabinin, P. Sharapova, T. Bartley, T. Meier, ArXiv:1912.09097 (2019).
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2019 | Journal Article | LibreCat-ID: 13900
Attosecond temporal confinement of interband excitation by intraband motion
X. Song, R. Zuo, S. Yang, P. Li, T. Meier, W. Yang, Optics Express 27 (2019) 2225–2234.
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2019 | Journal Article | LibreCat-ID: 13283 LibreCat | DOI
 

2019 | Journal Article | LibreCat-ID: 13429 | OA
Oxygen and potassium vacancies in KTP calculated from first principles
A. Bocchini, S. Neufeld, U. Gerstmann, W.G. Schmidt, Journal of Physics: Condensed Matter 31 (2019) 385401.
LibreCat | DOI | Download (ext.)
 

2019 | Journal Article | LibreCat-ID: 20578
Bloch oscillations of multidimensional dark soliton wave packets and light bullets
R. Driben, X. Ma, S. Schumacher, T. Meier, Optics Letters 44 (2019) 1327–1330.
LibreCat | DOI | PubMed | Europe PMC
 

2018 | Journal Article | LibreCat-ID: 18466 | OA
Exact formulation of the transverse dynamic spin susceptibility as an initial-value problem
A. Schindlmayr, Advances in Mathematical Physics 2018 (2018).
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2018 | Journal Article | LibreCat-ID: 13902
Exotic complexes in one-dimensional Bose-Einstein condensates with spin-orbit coupling
D.B. Belobo, T. Meier, Scientific Reports 8 (2018) 3706.
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2018 | Journal Article | LibreCat-ID: 13407
Structural dynamics upon photoexcitation-induced charge transfer in a dicopper(i)–disulfide complex
M. Naumova, D. Khakhulin, M. Rebarz, M. Rohrmüller, B. Dicke, M. Biednov, A. Britz, S. Espinoza, B. Grimm-Lebsanft, M. Kloz, N. Kretzschmar, A. Neuba, J. Ortmeyer, R. Schoch, J. Andreasson, M. Bauer, C. Bressler, W.G. Schmidt, G. Henkel, M. Rübhausen, Physical Chemistry Chemical Physics (2018) 6274–6286.
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2018 | Journal Article | LibreCat-ID: 13408
Probing quasi-one-dimensional band structures by plasmon spectroscopy
T. Lichtenstein, Z. Mamiyev, C. Braun, S. Sanna, W.G. Schmidt, C. Tegenkamp, H. Pfnür, Physical Review B 97 (2018).
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2018 | Journal Article | LibreCat-ID: 13409 LibreCat | DOI
 

2018 | Journal Article | LibreCat-ID: 13410 | OA LibreCat | Files available | DOI | WoS
 

2018 | Journal Article | LibreCat-ID: 13411
Vibrational properties of the Au-(3×3)/Si(111) surface reconstruction
B. Halbig, M. Liebhaber, U. Bass, J. Geurts, E. Speiser, J. Räthel, S. Chandola, N. Esser, M. Krenz, S. Neufeld, W.G. Schmidt, S. Sanna, Physical Review B 97 (2018).
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2018 | Journal Article | LibreCat-ID: 13413
Temperature stabilizes rough Au/Ge(001) surface reconstructions
K. Seino, S. Sanna, W.G. Schmidt, Surface Science 667 (2018) 101–104.
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2018 | Journal Article | LibreCat-ID: 13430
Probing quasi-one-dimensional band structures by plasmon spectroscopy
T. Lichtenstein, Z. Mamiyev, C. Braun, S. Sanna, W.G. Schmidt, C. Tegenkamp, H. Pfnür, Physical Review B 97 (2018).
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2018 | Journal Article | LibreCat-ID: 13348
Theory of optically controlled anisotropic polariton transport in semiconductor double microcavities
S.M.H. Luk, P. Lewandowski, N.H. Kwong, E. Baudin, O. Lafont, J. Tignon, P.T. Leung, Ch.K.P. Chan, M. Babilon, S. Schumacher, R. Binder, Journal of the Optical Society of America B 35 (2018).
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2018 | Journal Article | LibreCat-ID: 40385
Bright squeezed vacuum in a nonlinear interferometer: Frequency and temporal Schmidt-mode description
P.R. Sharapova, O.V. Tikhonova, S. Lemieux, R.W. Boyd, M.V. Chekhova, Physical Review A 97 (2018).
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2018 | Journal Article | LibreCat-ID: 13351
Microscopic theory of cavity-enhanced single-photon emission from optical two-photon Raman processes
D. Breddermann, T. Praschan, D.F. Heinze, R. Binder, S. Schumacher, Physical Review B 97 (2018).
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2018 | Journal Article | LibreCat-ID: 17065 LibreCat | DOI
 

2018 | Conference Paper | LibreCat-ID: 40386
Manipulation of Two-Photon Interference by Entanglement
P. Sharapova, K.H. Luo, H. Herrmann, M. Reichelt, C. Silberhorn, T. Meier, in: Conference on Lasers and Electro-Optics, OSA, 2018.
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2018 | Journal Article | LibreCat-ID: 4365 LibreCat | DOI
 

2018 | Journal Article | LibreCat-ID: 26305
Incomplete Detection of Nonclassical Phase-Space Distributions
M. Bohmann, J. Tiedau, T. Bartley, J. Sperling, C. Silberhorn, W. Vogel, Physical Review Letters (2018).
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2018 | Conference Paper | LibreCat-ID: 40388
Monolithically Integrated Hong-Ou-Mandel Experiment in LiNbO3
K.H. Luo, S. Brauner, C. Eigner, P. Sharapova, R. Ricken, T. Meier, H. Herrmann, C. Silberhorn, in: Conference on Lasers and Electro-Optics, OSA, 2018.
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2018 | Book Chapter | LibreCat-ID: 43193
Foundations of Coherent Transients in Semiconductors
T. Meier, S.W. Koch, in: B. Guenther, D. Steel (Eds.), Encyclopedia of Modern Optics (Second Edition), Elsevier, 2018, pp. 264–277.
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2018 | Journal Article | LibreCat-ID: 4370
Signatures of transient Wannier-Stark localization in bulk gallium arsenide
C. Schmidt, J. Bühler, A.-C. Heinrich, J. Allerbeck, R. Podzimski, D. Berghoff, T. Meier, W.G. Schmidt, C. Reichl, W. Wegscheider, D. Brida, A. Leitenstorfer, Nature Communications 9 (2018).
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2018 | Journal Article | LibreCat-ID: 10018
Signatures of transient Wannier-Stark localization in bulk gallium arsenide
C. Schmidt, J. Bühler, A.-C. Heinrich, J. Allerbeck, R. Podzimski, D. Berghoff, T. Meier, W.G. Schmidt, C. Reichl, W. Wegscheider, D. Brida, A. Leitenstorfer, Nature Communications 9 (2018).
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2018 | Journal Article | LibreCat-ID: 4369
Observation and Uses of Position-Space Bloch Oscillations in an Ultracold Gas
Z.A. Geiger, K.M. Fujiwara, K. Singh, R. Senaratne, S.V. Rajagopal, M. Lipatov, T. Shimasaki, R. Driben, V.V. Konotop, T. Meier, D.M. Weld, Physical Review Letters 120 (2018).
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2018 | Journal Article | LibreCat-ID: 13286
Observation and Uses of Position-Space Bloch Oscillations in an Ultracold Gas
Z.A. Geiger, K.M. Fujiwara, K. Singh, R. Senaratne, S.V. Rajagopal, M. Lipatov, T. Shimasaki, R. Driben, V.V. Konotop, T. Meier, D.M. Weld, Physical Review Letters 120 (2018).
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2018 | Journal Article | LibreCat-ID: 13287
Nonlinearity-induced localization in a periodically driven semidiscrete system
R. Driben, V.V. Konotop, B.A. Malomed, T. Meier, A.V. Yulin, Physical Review E 97 (2018).
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2018 | Conference Paper | LibreCat-ID: 43859
Wannier-Stark Localization in Bulk Gallium Arsenide Induced by Extreme Mid-Infrared Fields
T. Meier, J. Bühler, C. Schmidt, A.-C. Heinrich, J. Allerbeck, R. Podzimski, D. Berghoff, W.G. Schmidt, C. Reichl, W. Wegscheider, D. Brida, A. Leitenstorfer, in: CLEO: QELS_Fundamental Science, Optical Society of America, 2018, p. FF3P.7.
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2018 | Conference Paper | LibreCat-ID: 13901
Coherent optical spectroscopy of charged exciton complexes in semiconductor nanostructures
I. Akimov, S.V. Poltavtsev, M. Salewski, I.A. Yugova, G. Karczewski, T. Wojtowicz, W. Maciej, M. Reichelt, T. Meier, D. Yakovlev, M. Bayer, in: M. Betz, A.Y. Elezzabi (Eds.), Ultrafast Phenomena and Nanophotonics XXII, SPIE, 2018.
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2018 | Conference Paper | LibreCat-ID: 4366
Coherent optical spectroscopy of charged exciton complexes in semiconductor nanostructures
I. Akimov, S.V. Poltavtsev, M. Salewski, I.A. Yugova, G. Karczewski, T. Wojtowicz, W. Maciej , M. Reichelt, T. Meier, D. Yakovlev, M. Bayer, in: M. Betz, A.Y. Elezzabi (Eds.), Ultrafast Phenomena and Nanophotonics XXII, SPIE, 2018.
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2018 | Journal Article | LibreCat-ID: 13405
Impact of finite-temperature and condensed-phase effects on theoretical X-ray absorption spectra of transition metal complexes
P. Müller, K. Karhan, M. Krack, U. Gerstmann, W.G. Schmidt, M. Bauer, T.D. Kühne, Journal of Computational Chemistry (2018) 712–716.
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2018 | Journal Article | LibreCat-ID: 13406
Plasmon spectroscopy: Robust metallicity of Au wires on Si(557) upon oxidation
Z. Mamiyev, T. Lichtenstein, C. Tegenkamp, C. Braun, W.G. Schmidt, S. Sanna, H. Pfnür, Physical Review Materials 2 (2018).
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2018 | Journal Article | LibreCat-ID: 13403
Polytypism driven zero-field splitting of silicon vacancies in 6H-SiC
T. Biktagirov, W.G. Schmidt, U. Gerstmann, B. Yavkin, S. Orlinskii, P. Baranov, V. Dyakonov, V. Soltamov, Physical Review B 98 (2018).
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2018 | Journal Article | LibreCat-ID: 13404
Spin pairing versus spin chains at Si(553)-Au surfaces
C. Braun, U. Gerstmann, W.G. Schmidt, Physical Review B 98 (2018).
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2018 | Journal Article | LibreCat-ID: 4368
Nonlinearity-induced localization in a periodically driven semidiscrete system
R. Driben, V.V. Konotop, B.A. Malomed, T. Meier, A.V. Yulin, Physical Review E 97 (2018).
LibreCat | DOI
 

2017 | Journal Article | LibreCat-ID: 7481
Zn–VI quasiparticle gaps and optical spectra from many-body calculations
A. Riefer, N. Weber, J. Mund, D.R. Yakovlev, M. Bayer, A. Schindlmayr, C. Meier, W.G. Schmidt, Journal of Physics: Condensed Matter 29 (2017).
LibreCat | Files available | DOI | WoS | PubMed | Europe PMC
 

2017 | Journal Article | LibreCat-ID: 13353
Directional optical switching and transistor functionality using optical parametric oscillation in a spinor polariton fluid
P. Lewandowski, S.M.H. Luk, C.K.P. Chan, P.T. Leung, N.H. Kwong, R. Binder, S. Schumacher, Optics Express 25 (2017).
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2017 | Journal Article | LibreCat-ID: 13354
Optically Controlled Orbital Angular Momentum Generation in a Polaritonic Quantum Fluid
S.M.H. Luk, N.H. Kwong, P. Lewandowski, S. Schumacher, R. Binder, Physical Review Letters 119 (2017).
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2017 | Journal Article | LibreCat-ID: 13360
Ultrafast Electronic Energy Transfer in an Orthogonal Molecular Dyad
C. Wiebeler, F. Plasser, G.J. Hedley, A. Ruseckas, I.D.W. Samuel, S. Schumacher, The Journal of Physical Chemistry Letters (2017) 1086–1092.
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2017 | Journal Article | LibreCat-ID: 13361
Controlling the optical spin Hall effect with light
O. Lafont, S.M.H. Luk, P. Lewandowski, N.H. Kwong, P.T. Leung, E. Galopin, A. Lemaitre, J. Tignon, S. Schumacher, E. Baudin, R. Binder, Applied Physics Letters (2017).
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2017 | Journal Article | LibreCat-ID: 13364
Optical switching of polariton density patterns in a semiconductor microcavity
N.H. Kwong, C.Y. Tsang, S.M.H. Luk, Y.C. Tse, C.K.P. Chan, P. Lewandowski, P.T. Leung, S. Schumacher, R. Binder, Physica Scripta (2017).
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2017 | Journal Article | LibreCat-ID: 13412
New pyridinium based ionic dyes for the hydrogen evolution reaction
D.D. Konieczna, H. Biller, M. Witte, W.G. Schmidt, A. Neuba, R. Wilhelm, Tetrahedron (2017) 142–149.
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2017 | Journal Article | LibreCat-ID: 13414 LibreCat | DOI
 

2017 | Journal Article | LibreCat-ID: 13415
Si(775)-Au atomic chains: Geometry, optical properties, and spin order
C. Braun, C. Hogan, S. Chandola, N. Esser, S. Sanna, W.G. Schmidt, Physical Review Materials 1 (2017).
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2017 | Journal Article | LibreCat-ID: 13416 | OA
Polaron optical absorption in congruent 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
 

2017 | Journal Article | LibreCat-ID: 13417
Efficient PAW-based bond strength analysis for understanding the In/Si(111)(8 × 2) - (4 × 1) phase transition
A. Lücke, U. Gerstmann, T.D. Kühne, W.G. Schmidt, Journal of Computational Chemistry (2017) 2276–2282.
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2017 | Journal Article | LibreCat-ID: 13418
LiNbO3 surfaces from a microscopic perspective
S. Sanna, W.G. Schmidt, Journal of Physics: Condensed Matter (2017).
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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.
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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.
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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.
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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
 

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
 

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
 

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
 

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
 

2017 | Journal Article | LibreCat-ID: 10021 | OA
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
 

2017 | Journal Article | LibreCat-ID: 10023 | OA
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
 

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