@article{22310,
  author       = {{Neufeld, Sergej and Bocchini, Adriana and Schmidt, Wolf Gero}},
  issn         = {{2475-9953}},
  journal      = {{Physical Review Materials}},
  title        = {{{Potassium titanyl phosphate Z- and Y-cut surfaces from density-functional theory}}},
  doi          = {{10.1103/physrevmaterials.5.064407}},
  year         = {{2021}},
}

@article{22008,
  author       = {{Plaickner, Julian and Speiser, Eugen and Braun, Christian and Schmidt, Wolf Gero and Esser, Norbert and Sanna, Simone}},
  issn         = {{2469-9950}},
  journal      = {{Physical Review B}},
  title        = {{{Surface localized phonon modes at the Si(553)-Au nanowire system}}},
  doi          = {{10.1103/physrevb.103.115441}},
  year         = {{2021}},
}

@article{40244,
  author       = {{Meier, Lukas and Schmidt, Wolf Gero}},
  issn         = {{0370-1972}},
  journal      = {{physica status solidi (b)}},
  keywords     = {{Condensed Matter Physics, Electronic, Optical and Magnetic Materials}},
  number       = {{1}},
  publisher    = {{Wiley}},
  title        = {{{GaInP/AlInP(001) Interfaces from Density Functional Theory}}},
  doi          = {{10.1002/pssb.202100462}},
  volume       = {{259}},
  year         = {{2021}},
}

@article{22009,
  author       = {{Ruiz Alvarado, Isaac Azahel and Karmo, Marsel and Runge, Erich and Schmidt, Wolf Gero}},
  issn         = {{2470-1343}},
  journal      = {{ACS Omega}},
  pages        = {{6297--6304}},
  title        = {{{InP and AlInP(001)(2 × 4) Surface Oxidation from Density Functional Theory}}},
  doi          = {{10.1021/acsomega.0c06019}},
  year         = {{2021}},
}

@article{22960,
  abstract     = {{We perform a theoretical analysis of the structural and electronic properties of sodium potassium niobate K1-xNaxNbO3 in the orthorhombic room-temperature phase, based on density-functional theory in combination with the supercell approach. Our results for x=0 and x=0.5 are in very good agreement with experimental measurements and establish that the lattice parameters decrease linearly with increasing Na contents, disproving earlier theoretical studies based on the virtual-crystal approximation that claimed a highly nonlinear behavior with a significant structural distortion and volume reduction in K0.5Na0.5NbO3 compared to both end members of the solid solution. Furthermore, we find that the electronic band gap varies very little between x=0 and x=0.5, reflecting the small changes in the lattice parameters.}},
  author       = {{Bidaraguppe Ramesh, Nithin and Schmidt, Falko and Schindlmayr, Arno}},
  issn         = {{1434-6036}},
  journal      = {{The European Physical Journal B}},
  number       = {{8}},
  publisher    = {{EDP Sciences, Società Italiana di Fisica and Springer}},
  title        = {{{Lattice parameters and electronic band gap of orthorhombic potassium sodium niobate K0.5Na0.5NbO3 from density-functional theory}}},
  doi          = {{10.1140/epjb/s10051-021-00179-8}},
  volume       = {{94}},
  year         = {{2021}},
}

@article{37334,
  abstract     = {{<jats:p>Uniaxial anisotropy in nonlinear birefringent crystals limits the efficiency of nonlinear optical interactions and breaks the spatial symmetry of light generated in the parametric down-conversion (PDC) process. Therefore, this effect is usually undesirable and must be compensated for. However, high gain may be used to overcome the destructive role of anisotropy in order to generate bright two-mode correlated twin-beams. In this work, we provide a rigorous theoretical description of the spatial properties of bright squeezed light in the presence of strong anisotropy. We investigate a single crystal and a system of two crystals with an air gap (corresponding to a nonlinear SU(1,1) interferometer) and demonstrate the generation of bright correlated twin-beams in such configurations at high gain due to anisotropy. We explore the mode structure of the generated light and show how anisotropy, together with crystal spacing, can be used for radiation shaping.</jats:p>}},
  author       = {{Riabinin, M. and Sharapova, Polina and Meier, Torsten}},
  issn         = {{1094-4087}},
  journal      = {{Optics Express}},
  keywords     = {{Atomic and Molecular Physics, and Optics}},
  number       = {{14}},
  pages        = {{21876--21890}},
  publisher    = {{Optica Publishing Group}},
  title        = {{{Bright correlated twin-beam generation and radiation shaping in high-gain parametric down-conversion with anisotropy}}},
  doi          = {{10.1364/oe.424977}},
  volume       = {{29}},
  year         = {{2021}},
}

@article{26287,
  author       = {{Geraldi, Andrea and De, Syamsundar and Laneve, Alessandro and Barkhofen, Sonja and Sperling, Jan and Mataloni, Paolo and Silberhorn, Christine}},
  issn         = {{2643-1564}},
  journal      = {{Physical Review Research}},
  title        = {{{Transient subdiffusion via disordered quantum walks}}},
  doi          = {{10.1103/physrevresearch.3.023052}},
  year         = {{2021}},
}

@article{21021,
  author       = {{Tiedau, J. and Engelkemeier, M. and Brecht, Benjamin and Sperling, Jan and Silberhorn, Christine}},
  issn         = {{0031-9007}},
  journal      = {{Physical Review Letters}},
  title        = {{{Statistical Benchmarking of Scalable Photonic Quantum Systems}}},
  doi          = {{10.1103/physrevlett.126.023601}},
  volume       = {{126}},
  year         = {{2021}},
}

@article{26286,
  author       = {{Prasannan, Nidhin and De, Syamsundar and Barkhofen, Sonja and Brecht, Benjamin and Silberhorn, Christine and Sperling, Jan}},
  issn         = {{2469-9926}},
  journal      = {{Physical Review A}},
  title        = {{{Experimental entanglement characterization of two-rebit states}}},
  doi          = {{10.1103/physreva.103.l040402}},
  volume       = {{103}},
  year         = {{2021}},
}

@article{23816,
  abstract     = {{Employing the ultrafast control of electronic states of a semiconductor quantum dot in a cavity, we introduce an approach to achieve on-demand emission of single photons with almost perfect indistinguishability and photon pairs with near ideal entanglement. Our scheme is based on optical excitation off resonant to a cavity mode followed by ultrafast control of the electronic states using the time-dependent quantum-confined Stark effect, which then allows for cavity-resonant emission. Our theoretical analysis considers cavity-loss mechanisms, the Stark effect, and phonon-induced dephasing, allowing realistic predictions for finite temperatures.}},
  author       = {{Bauch, David and Heinze, Dirk Florian and Förstner, Jens and Jöns, Klaus and Schumacher, Stefan}},
  issn         = {{2469-9950}},
  journal      = {{Physical Review B}},
  keywords     = {{tet_topic_qd}},
  pages        = {{085308}},
  title        = {{{Ultrafast electric control of cavity mediated single-photon and photon-pair generation with semiconductor quantum dots}}},
  doi          = {{10.1103/physrevb.104.085308}},
  volume       = {{104}},
  year         = {{2021}},
}

@article{39653,
  abstract     = {{<jats:title>Abstract</jats:title><jats:p>A detailed investigation of the energy levels of perylene-3,4,9,10-tetracarboxylic tetraethylester as a representative compound for the whole family of perylene esters was performed. It was revealed via electrochemical measurements that one oxidation and two reductions take place. The bandgaps determined via the electrochemical approach are in good agreement with the optical bandgap obtained from the absorption spectra via a Tauc plot. In addition, absorption spectra in dependence of the electrochemical potential were the basis for extensive quantum-chemical calculations of the neutral, monoanionic, and dianionic molecules. For this purpose, calculations based on density functional theory were compared with post-Hartree–Fock methods and the CAM-B3LYP functional proved to be the most reliable choice for the calculation of absorption spectra. Furthermore, spectral features found experimentally could be reproduced with vibronic calculations and allowed to understand their origins. In particular, the two lowest energy absorption bands of the anion are not caused by absorption of two distinct electronic states, which might have been expected from vertical excitation calculations, but both states exhibit a strong vibronic progression resulting in contributions to both bands.</jats:p>}},
  author       = {{Wiebeler, Christian and Vollbrecht, Joachim and Neuba, Adam and Kitzerow, Heinz-Siegfried and Schumacher, Stefan}},
  issn         = {{2045-2322}},
  journal      = {{Scientific Reports}},
  keywords     = {{Multidisciplinary}},
  number       = {{1}},
  publisher    = {{Springer Science and Business Media LLC}},
  title        = {{{Unraveling the electrochemical and spectroscopic properties of neutral and negatively charged perylene tetraethylesters}}},
  doi          = {{10.1038/s41598-021-95551-0}},
  volume       = {{11}},
  year         = {{2021}},
}

@article{40434,
  author       = {{Klement, Philip and Dehnhardt, Natalie and Dong, Chuan-Ding and Dobener, Florian and Bayliff, Samuel and Winkler, Julius and Hofmann, Detlev M. and Klar, Peter J. and Schumacher, Stefan and Chatterjee, Sangam and Heine, Johanna}},
  issn         = {{0935-9648}},
  journal      = {{Advanced Materials}},
  keywords     = {{Mechanical Engineering, Mechanics of Materials, General Materials Science}},
  number       = {{23}},
  publisher    = {{Wiley}},
  title        = {{{Atomically Thin Sheets of Lead‐Free 1D Hybrid Perovskites Feature Tunable White‐Light Emission from Self‐Trapped Excitons}}},
  doi          = {{10.1002/adma.202100518}},
  volume       = {{33}},
  year         = {{2021}},
}

@article{24975,
  author       = {{Franz, Martin and Chandola, Sandhya and Koy, Maximilian and Zielinski, Robert and Aldahhak, Hazem and Das, Mowpriya and Freitag, Matthias and Gerstmann, Uwe and Liebig, Denise and Hoffmann, Adrian Karl and Rosin, Maximilian and Schmidt, Wolf Gero and Hogan, Conor and Glorius, Frank and Esser, Norbert and Dähne, Mario}},
  issn         = {{1755-4330}},
  journal      = {{Nature Chemistry}},
  pages        = {{828--835}},
  title        = {{{Controlled growth of ordered monolayers of N-heterocyclic carbenes on silicon}}},
  doi          = {{10.1038/s41557-021-00721-2}},
  year         = {{2021}},
}

@article{23418,
  abstract     = {{Density-functional theory within a Berry-phase formulation of the dynamical polarization is used to determine the second-order susceptibility χ(2) of lithium niobate (LiNbO3). Defect trapped polarons and bipolarons are found to strongly enhance the nonlinear susceptibility of the material, in particular if localized at NbV–VLi defect pairs. This is essentially a consequence of the polaronic excitation resulting in relaxation-induced gap states. The occupation of these levels leads to strongly enhanced χ(2) coefficients and allows for the spatial and transient modification of the second-harmonic generation of macroscopic samples.}},
  author       = {{Kozub, Agnieszka L. and Schindlmayr, Arno and Gerstmann, Uwe and Schmidt, Wolf Gero}},
  issn         = {{2469-9969}},
  journal      = {{Physical Review B}},
  pages        = {{174110}},
  publisher    = {{American Physical Society}},
  title        = {{{Polaronic enhancement of second-harmonic generation in lithium niobate}}},
  doi          = {{10.1103/PhysRevB.104.174110}},
  volume       = {{104}},
  year         = {{2021}},
}

@inproceedings{23475,
  author       = {{Rose, Hendrik and Paul, Jagannath and Wahlstrand, Jared K. and Bristow, Alan D. and Meier, Torsten}},
  booktitle    = {{Ultrafast Phenomena and Nanophotonics XXV}},
  editor       = {{Betz, Markus and Elezzabi, Abdulhakem Y.}},
  title        = {{{Theoretical analysis and simulations of two-dimensional Fourier transform spectroscopy performed on exciton-polaritons of a quantum-well microcavity system}}},
  doi          = {{10.1117/12.2576696}},
  volume       = {{11684}},
  year         = {{2021}},
}

@article{37333,
  author       = {{Krauss-Kodytek, L. and Hannes, W.-R. and Meier, Torsten and Ruppert, C. and Betz, M.}},
  issn         = {{2469-9950}},
  journal      = {{Physical Review B}},
  number       = {{8}},
  publisher    = {{American Physical Society (APS)}},
  title        = {{{Nondegenerate two-photon absorption in ZnSe: Experiment and theory}}},
  doi          = {{10.1103/physrevb.104.085201}},
  volume       = {{104}},
  year         = {{2021}},
}

@article{21547,
  author       = {{Riabinin, Matvei and Sharapova, Polina and Bartley, Tim and Meier, Torsten}},
  issn         = {{2399-6528}},
  journal      = {{Journal of Physics Communications}},
  number       = {{4}},
  title        = {{{Generating two-mode squeezing with multimode measurement-induced nonlinearity}}},
  doi          = {{10.1088/2399-6528/abeec2}},
  volume       = {{5}},
  year         = {{2021}},
}

@inproceedings{26390,
  author       = {{Moritzer, Elmar and Flachmann, Felix}},
  booktitle    = {{PPS-36 Proceedings}},
  location     = {{Montreal}},
  title        = {{{Process-reliable Injection Molding of Highly Filled Wood-Plastic-Composites (WPC)}}},
  year         = {{2021}},
}

@article{20921,
  abstract     = {{The increase of the thermal conductivity of PUR foam in the insulation of the cabinet is an important cause for aging processes of household refrigerating appliances. To determine the influence of the PUR foam aging on energy consumption, the development of a new measurement method is necessary be- cause current methods influence the aging behavior of household refrigerators and are therefore not applicable in general. Based on a latent heat sink, constructed as an ice water bucket, a new measure- ment method is developed to determine the k ·A value over time. With this method, the k ·A value of four household refrigerating appliances was determined over an interval of 14 months. The k ·A value increased between 3.6% and 11.5% during this period.}},
  author       = {{Paul, Andreas and Baumhögger, Elmar and Elsner, Andreas and Moczarski, Lukas and Reineke, Michael and Sonnenrein, Gerrit and Hueppe, Christian and Stamminger, Rainer and Hoelscher, Heike and Wagner, Hendrik and Gries, Ulrich and Freiberger, Alfred and Becker, Wolfgang and Vrabec, Jadran}},
  issn         = {{0140-7007}},
  journal      = {{International Journal of Refrigeration}},
  pages        = {{235--242}},
  title        = {{{Determining the heat flow through the cabinet walls of household refrigerating appliances}}},
  doi          = {{10.1016/j.ijrefrig.2020.10.007}},
  year         = {{2021}},
}

@article{24541,
  abstract     = {{<jats:p>The mechanical properties of joined structures are determined considerably by the chosen joining technology. With the aim of providing a method that enables a faster and more profound decision-making in the spatial distribution of joining points during product development, a new method for the load path analysis of joining points is presented. For an exemplary car body, the load type in the joining elements, i.e. pure tensile, shear and combined tensile-shear loads, is determined using finite element analysis (FEA). Based on the evaluated loads, the resulting load paths in selected joining points are analyzed using a 2D FE-model of a clinching point. State of the art methods for load path analysis are dependent on the selected coordinate system or the existing stress state. Thus, a general statement about the load transmission path is not possible at this time. Here, a novel method for the analysis of load paths is used, which is independent of the alignment of the analyzed geometry. The basic assumption of the new load path analysis method was confirmed by using a simple specimen with a square hole in different orientations. The results presented here show a possibility to display the load transmission path invariantly. In further steps, the method will be extended for 3D analysis and the investigation of more complex assemblies. The primary goal of this methodical approach is an even load distribution over the joining elements and the component. This will provide a basis for future design approaches aimed at reducing the number of joining elements in joined structures.</jats:p>}},
  author       = {{Steinfelder, Christian and Martin, Sven and Brosius, Alexander and Tröster, Thomas}},
  issn         = {{1662-9795}},
  journal      = {{Key Engineering Materials}},
  pages        = {{73--80}},
  title        = {{{Load Path Transmission in Joining Elements}}},
  doi          = {{10.4028/www.scientific.net/kem.883.73}},
  year         = {{2021}},
}