@article{13417, author = {{Lücke, Andreas and Gerstmann, Uwe and Kühne, Thomas D. and Schmidt, Wolf Gero}}, issn = {{0192-8651}}, journal = {{Journal of Computational Chemistry}}, pages = {{2276--2282}}, title = {{{Efficient PAW-based bond strength analysis for understanding the In/Si(111)(8 × 2) - (4 × 1) phase transition}}}, doi = {{10.1002/jcc.24878}}, year = {{2017}}, } @article{13414, author = {{Riefer, A. and Schmidt, Wolf Gero}}, issn = {{2469-9950}}, journal = {{Physical Review B}}, number = {{23}}, title = {{{Solving the Bethe-Salpeter equation for the second-harmonic generation in Zn chalcogenides}}}, doi = {{10.1103/physrevb.96.235206}}, volume = {{96}}, year = {{2017}}, } @article{13420, author = {{Nozaki, Daijiro and Schmidt, Wolf Gero}}, issn = {{0192-8651}}, journal = {{Journal of Computational Chemistry}}, pages = {{1685--1692}}, title = {{{Current density analysis of electron transport through molecular wires in open quantum systems}}}, doi = {{10.1002/jcc.24812}}, volume = {{38}}, year = {{2017}}, } @article{13418, author = {{Sanna, Simone and Schmidt, Wolf Gero}}, issn = {{0953-8984}}, journal = {{Journal of Physics: Condensed Matter}}, title = {{{LiNbO3 surfaces from a microscopic perspective}}}, doi = {{10.1088/1361-648x/aa818d}}, year = {{2017}}, } @article{13412, author = {{Konieczna, Dagny D. and Biller, Harry and Witte, Matthias and Schmidt, Wolf Gero and Neuba, Adam and Wilhelm, René}}, issn = {{0040-4020}}, journal = {{Tetrahedron}}, pages = {{142--149}}, title = {{{New pyridinium based ionic dyes for the hydrogen evolution reaction}}}, doi = {{10.1016/j.tet.2017.11.053}}, year = {{2017}}, } @article{3435, abstract = {{Semiconductor quantum dots are promising sources for polarization-entangled photons. As an alternative to the usual cascaded biexciton-exciton emission, direct two-photon emission from the biexciton can be used. With a high-quality optical resonator tuned to half the biexciton energy, a large proportion of the photons can be steered into the two-photon emission channel. In this case the degree of polarization entanglement is inherently insensitive to the exciton fine-structure splitting. In the present work we analyze the biexciton emission with particular emphasis on the influence of coupling of the quantum-dot cavity system to its environment. Especially for a high-quality cavity, the coupling to the surrounding semiconductormaterial can open up additional phonon-assisted decay channels. Our analysis demonstrates that with the cavity tuned to half the biexciton energy, the potentially detrimental influence of the phonons on the polarization entanglement is strongly suppressed—high degrees of entanglement can still be achieved. We further discuss spectral properties and statistics of the emitted twin photons.}}, author = {{Heinze, Dirk and Zrenner, Artur and Schumacher, Stefan}}, issn = {{1098-0121}}, journal = {{Physical Review B}}, number = {{24}}, title = {{{Polarization-entangled twin photons from two-photon quantum-dot emission}}}, doi = {{10.1103/PhysRevB.95.245306}}, year = {{2017}}, } @article{13359, author = {{Ma, Xuekai and Egorov, Oleg A. and Schumacher, Stefan}}, issn = {{0031-9007}}, journal = {{Physical Review Letters}}, number = {{15}}, title = {{{Creation and Manipulation of Stable Dark Solitons and Vortices in Microcavity Polariton Condensates}}}, doi = {{10.1103/physrevlett.118.157401}}, volume = {{118}}, year = {{2017}}, } @article{13358, author = {{Vollbrecht, Joachim and Wiebeler, Christian and Schumacher, Stefan and Bock, Harald and Kitzerow, Heinz-Siegfried}}, issn = {{1542-1406}}, journal = {{Molecular Crystals and Liquid Crystals}}, pages = {{66--73}}, title = {{{Enhanced columnar mesophase range through distortions in arene cores}}}, doi = {{10.1080/15421406.2017.1284387}}, year = {{2017}}, } @article{13361, author = {{Lafont, O. and Luk, S. M. H. and Lewandowski, P. and Kwong, N. H. and Leung, P. T. and Galopin, E. and Lemaitre, A. and Tignon, J. and Schumacher, Stefan and Baudin, E. and Binder, R.}}, issn = {{0003-6951}}, journal = {{Applied Physics Letters}}, title = {{{Controlling the optical spin Hall effect with light}}}, doi = {{10.1063/1.4975681}}, year = {{2017}}, } @article{13356, author = {{Ma, Xuekai and Schumacher, Stefan}}, issn = {{2469-9950}}, journal = {{Physical Review B}}, number = {{23}}, title = {{{Vortex-vortex control in exciton-polariton condensates}}}, doi = {{10.1103/physrevb.95.235301}}, volume = {{95}}, year = {{2017}}, } @article{13803, author = {{Giannozzi, P and Andreussi, O and Brumme, T and Bunau, O and Buongiorno Nardelli, M and Calandra, M and Car, R and Cavazzoni, C and Ceresoli, D and Cococcioni, M and Colonna, N and Carnimeo, I and Dal Corso, A and de Gironcoli, S and Delugas, P and DiStasio, R A and Ferretti, A and Floris, A and Fratesi, G and Fugallo, G and Gebauer, R and Gerstmann, Uwe and Giustino, F and Gorni, T and Jia, J and Kawamura, M and Ko, H-Y and Kokalj, A and Küçükbenli, E and Lazzeri, M and Marsili, M and Marzari, N and Mauri, F and Nguyen, N L and Nguyen, H-V and Otero-de-la-Roza, A and Paulatto, L and Poncé, S and Rocca, D and Sabatini, R and Santra, B and Schlipf, M and Seitsonen, A P and Smogunov, A and Timrov, I and Thonhauser, T and Umari, P and Vast, N and Wu, X and Baroni, S}}, issn = {{0953-8984}}, journal = {{Journal of Physics: Condensed Matter}}, number = {{46}}, title = {{{Advanced capabilities for materials modelling with Quantum ESPRESSO}}}, doi = {{10.1088/1361-648x/aa8f79}}, volume = {{29}}, year = {{2017}}, } @article{7481, abstract = {{The electronic band structures of hexagonal ZnO and cubic ZnS, ZnSe, and ZnTe compounds are determined within hybrid-density-functional theory and quasiparticle calculations. It is found that the band-edge energies calculated on the G0W0 (Zn chalcogenides) or GW (ZnO) level of theory agree well with experiment, while fully self-consistent QSGW calculations are required for the correct description of the Zn 3d bands. The quasiparticle band structures are used to calculate the linear response and second-harmonic-generation (SHG) spectra of the Zn–VI compounds. Excitonic effects in the optical absorption are accounted for within the Bethe–Salpeter approach. The calculated spectra are discussed in the context of previous experimental data and present SHG measurements for ZnO.}}, author = {{Riefer, Arthur and Weber, Nils and Mund, Johannes and Yakovlev, Dmitri R. and Bayer, Manfred and Schindlmayr, Arno and Meier, Cedrik and Schmidt, Wolf Gero}}, issn = {{1361-648X}}, journal = {{Journal of Physics: Condensed Matter}}, number = {{21}}, publisher = {{IOP Publishing}}, title = {{{Zn–VI quasiparticle gaps and optical spectra from many-body calculations}}}, doi = {{10.1088/1361-648x/aa6b2a}}, volume = {{29}}, year = {{2017}}, } @article{40389, author = {{Beltran, Lina and Frascella, Gaetano and Perez, Angela M and Fickler, Robert and Sharapova, Polina and Manceau, Mathieu and Tikhonova, Olga V and Boyd, Robert W and Leuchs, Gerd and Chekhova, Maria V}}, issn = {{2040-8978}}, journal = {{Journal of Optics}}, keywords = {{Atomic and Molecular Physics, and Optics, Electronic, Optical and Magnetic Materials}}, number = {{4}}, publisher = {{IOP Publishing}}, title = {{{Orbital angular momentum modes of high-gain parametric down-conversion}}}, doi = {{10.1088/2040-8986/aa600f}}, volume = {{19}}, year = {{2017}}, } @article{40391, author = {{Balybin, Stepan N. and Sharapova, Polina and Tikhonova, Olga V.}}, issn = {{1434-6060}}, journal = {{The European Physical Journal D}}, keywords = {{Atomic and Molecular Physics, and Optics}}, number = {{5}}, publisher = {{Springer Science and Business Media LLC}}, title = {{{Coherent control of atomic qubits by non-classical light}}}, doi = {{10.1140/epjd/e2017-70712-y}}, volume = {{71}}, year = {{2017}}, } @article{13909, author = {{Salewski, M. and Poltavtsev, S. V. and Yugova, I. A. and Karczewski, G. and Wiater, M. and Wojtowicz, T. and Yakovlev, D. R. and Akimov, I. A. and Meier, Torsten and Bayer, M.}}, issn = {{2160-3308}}, journal = {{Physical Review X}}, number = {{3}}, title = {{{High-Resolution Two-Dimensional Optical Spectroscopy of Electron Spins}}}, doi = {{10.1103/physrevx.7.031030}}, volume = {{7}}, year = {{2017}}, } @article{7480, author = {{Poltavtsev, S. V. and Kosarev, A. N. and Akimov, I. A. and Yakovlev, D. R. and Sadofev, S. and Puls, J. and Hoffmann, S. P. and Albert, M. and Meier, Cedrik and Meier, Torsten and Bayer, M.}}, issn = {{2469-9950}}, journal = {{Physical Review B}}, number = {{3}}, publisher = {{American Physical Society (APS)}}, title = {{{Time-resolved photon echoes from donor-bound excitons in ZnO epitaxial layers}}}, doi = {{10.1103/physrevb.96.035203}}, volume = {{96}}, year = {{2017}}, } @article{13289, author = {{Yulin, A. and Driben, R. and Meier, Torsten}}, issn = {{2469-9926}}, journal = {{Physical Review A}}, number = {{3}}, title = {{{Bloch oscillations and resonant radiation of light propagating in arrays of nonlinear fibers with high-order dispersion}}}, doi = {{10.1103/physreva.96.033827}}, volume = {{96}}, year = {{2017}}, } @article{13332, author = {{Podzimski, Reinold and Duc, Huynh Thanh and Meier, Torsten}}, issn = {{2469-9950}}, journal = {{Physical Review B}}, number = {{20}}, title = {{{Anisotropic excitons and their contributions to shift current transients in bulk GaAs}}}, doi = {{10.1103/physrevb.96.205201}}, volume = {{96}}, year = {{2017}}, } @article{10026, abstract = {{Congruent lithium niobate and lithium tantalate mixed crystals have been grown over the complete compositional range with the Czochralski method. The structural and vibrational properties of the mixed crystals are studied extensively by x-ray diffraction measurements, Raman spectroscopy, and density functional theory. The measured lattice parameters and vibrational frequencies are in good agreement with our theoretical predictions. The observed dependence of the Raman frequencies on the crystal composition is discussed on the basis of the calculated phonon displacement patterns. The phononic contribution to the static dielectric tensor is calculated by means of the generalized Lyddane-Sachs-Teller relation. Due to the pronounced dependence of the optical response on the Ta concentration, lithium niobate tantalate mixed crystals represent a perfect model system to study the properties of uniaxial mixed ferroelectric materials for application in integrated optics.}}, author = {{Rüsing, Michael and Sanna, Simone and Neufeld, Sergej and Berth, Gerhard and Schmidt, Wolf Gero and Zrenner, Artur and Yu, H. and Wang, Y. and Zhang, H.}}, issn = {{2469-9950}}, journal = {{Physical Review B}}, title = {{{Vibrational properties of LiNb1−xTaxO3 mixed crystals}}}, doi = {{10.1103/physrevb.93.184305}}, year = {{2016}}, } @article{13917, abstract = {{We present the synthesis of indium oxide (In2O3) inverse opal films with photonic stop bands in the visible range by a structure replication method. Artificial opal films made of poly(methyl methacrylate) (PMMA) spheres are utilized as template. The opal films are deposited via sedimentation facilitated by ultrasonication, and then impregnated by indium nitrate solution, which is thermally converted to In2O3 after drying. The quality of the resulting inverse opal film depends on many parameters; in this study the water content of the indium nitrate/PMMA composite after drying is investigated. Comparison of the reflectance spectra recorded by vis-spectroscopy with simulated data shows a good agreement between the peak position and calculated stop band positions for the inverse opals. This synthesis is less complex and highly efficient compared to most other techniques and is suitable for use in many applications.}}, author = {{Amrehn, Sabrina and Berghoff, Daniel and Nikitin, Andreas and Reichelt, Matthias and Wu, Xia and Meier, Torsten and Wagner, Thorsten}}, issn = {{1569-4410}}, journal = {{Photonics and Nanostructures - Fundamentals and Applications}}, pages = {{55--63}}, title = {{{Indium oxide inverse opal films synthesized by structure replication method}}}, doi = {{10.1016/j.photonics.2016.02.005}}, volume = {{19}}, year = {{2016}}, }