@article{61148,
  abstract     = {{<jats:p>Predicting accurate band gaps and optical properties of lower-dimensional materials, including two-dimensional van der Waals (vdW) materials and their heterostructures, remains a challenge within density functional theory (DFT) due to their unique screening compared to their bulk counterparts. Additionally, accurate treatment of the dielectric response is crucial for developing and applying screened-exchange dielectric-dependent range-separated hybrid functionals (SE-DD-RSH) for vdW materials. In this work, we introduce a SE-DD-RSH functional to the 2D vdW materials like <a:math xmlns:a="http://www.w3.org/1998/Math/MathML"><a:msub><a:mi>MoS</a:mi><a:mn>2</a:mn></a:msub></a:math>, <b:math xmlns:b="http://www.w3.org/1998/Math/MathML"><b:msub><b:mi>WS</b:mi><b:mn>2</b:mn></b:msub></b:math>, <c:math xmlns:c="http://www.w3.org/1998/Math/MathML"><c:mrow><c:mi>h</c:mi><c:mi>BN</c:mi></c:mrow></c:math>, black phosphorus (BP), and <d:math xmlns:d="http://www.w3.org/1998/Math/MathML"><d:mi>β</d:mi><d:mtext>−</d:mtext><d:mi>InSe</d:mi></d:math>. By accounting for in-plane and out-of-plane dielectric responses, our method achieves accuracy comparable to advanced many-body techniques like <e:math xmlns:e="http://www.w3.org/1998/Math/MathML"><e:mrow><e:msub><e:mi>G</e:mi><e:mn>0</e:mn></e:msub><e:msub><e:mi>W</e:mi><e:mn>0</e:mn></e:msub></e:mrow></e:math> and BSE@<f:math xmlns:f="http://www.w3.org/1998/Math/MathML"><f:mrow><f:msub><f:mi>G</f:mi><f:mn>0</f:mn></f:msub><f:msub><f:mi>W</f:mi><f:mn>0</f:mn></f:msub></f:mrow></f:math> at a lower computational cost. We demonstrate improved band gap predictions and optical absorption spectra for both bulk and layered structures, including some heterostructures like <g:math xmlns:g="http://www.w3.org/1998/Math/MathML"><g:msub><g:mi>MoS</g:mi><g:mn>2</g:mn></g:msub><g:mo>/</g:mo><g:msub><g:mi>WS</g:mi><g:mn>2</g:mn></g:msub></g:math>. This approach offers a practical and precise tool for exploring electronic and optical phenomena in 2D materials, paving the way for efficient computational studies of layered systems.</jats:p>}},
  author       = {{Ghosh, Arghya and Jana, Subrata and Hossain, Manoar and Rani, Dimple and Śmiga, Szymon and Samal, Prasanjit}},
  issn         = {{2469-9950}},
  journal      = {{Physical Review B}},
  number       = {{4}},
  publisher    = {{American Physical Society (APS)}},
  title        = {{{Advancing excited-state properties of two-dimensional materials using a dielectric-dependent hybrid functional}}},
  doi          = {{10.1103/8vvn-k9p3}},
  volume       = {{112}},
  year         = {{2025}},
}

@article{59276,
  abstract     = {{Stress plays a crucial role in thin films and layered systems, and thus significantly influences the material's electrical, mechanical and (nonlinear) optical responses. Despite lithium niobate's wide applicability as a nonlinear optical material, the impact of mechanical stress on its nonlinear optical properties is not well characterized. In this work, we systematically study both experimentally and theoretically, the nonlinear optical responses of thin film lithium niobate (TFLN) single crystals. Compressive and tensile stress is applied in our experiment using a piezodriven strain cell. We then record the second-harmonic-generated (SHG) response in back-reflection geometry, and compare these results to theoretical modeling using density functional theory (DFT). Both methods consistently reveal that uniaxial stress induces changes of the nonlinear optical susceptibility of certain tensor elements on the order of up to 1 pm/(V GPa). The exact value depends on the tensor element that is addressed in our SHG analysis, on the crystal orientation, and also whether using compressive or tensile stresses. Furthermore, a lowering of the crystal symmetry when applying stress along the <a:math xmlns:a="http://www.w3.org/1998/Math/MathML"><a:mi>x</a:mi></a:math> or <b:math xmlns:b="http://www.w3.org/1998/Math/MathML"><b:mi>y</b:mi></b:math> crystallographic axes is observed by the appearance of new nonlinear optical tensor elements within the strained crystals.}},
  author       = {{Pionteck, Mike N. and Roeper, Matthias and Koppitz, Boris and Seddon, Samuel D. and Rüsing, Michael and Padberg, Laura and Eigner, Christof and Silberhorn, Christine and Sanna, Simone and Eng, Lukas M.}},
  issn         = {{2469-9950}},
  journal      = {{Physical Review B}},
  number       = {{6}},
  publisher    = {{American Physical Society (APS)}},
  title        = {{{Second-order nonlinear piezo-optic properties of single crystal lithium niobate thin films}}},
  doi          = {{10.1103/physrevb.111.064109}},
  volume       = {{111}},
  year         = {{2025}},
}

@article{60565,
  author       = {{Bocchini, Adriana and Gerstmann, Uwe and Schmidt, Wolf Gero}},
  issn         = {{2469-9950}},
  journal      = {{Physical Review B}},
  number       = {{10}},
  publisher    = {{American Physical Society (APS)}},
  title        = {{{Microscopic origin of gray tracks in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>KTiOPO</mml:mi><mml:mn>4</mml:mn></mml:msub></mml:math>}}},
  doi          = {{10.1103/physrevb.111.104103}},
  volume       = {{111}},
  year         = {{2025}},
}

@article{62749,
  abstract     = {{Coherent Raman scattering techniques as coherent anti-Stokes Raman scattering (CARS), offer significant advantages in terms of pixel dwell times and speed as compared to spontaneous Raman scattering for investigations of crystalline materials. However, the spectral information in CARS is often hampered by the presence of a nonresonant contribution to the scattering process that shifts and distorts the Raman peaks. In this work, we apply a method to obtain nonresonant background-free spectra based on time-delayed, broadband CARS (TD-BCARS) using an intrapulse excitation scheme. In particular, this method can measure the phononic dephasing times across the full phonon spectrum at once. We test the methodology on amorphous SiO2 (glass), which is used to characterize the setup-specific and material-independent response times, and then apply TD-BCARS to the analysis of single crystals of diamond and ferroelectrics of potassium titanyl phosphate (KTP) and potassium titanyl arsenate (KTA). For diamond, we determine a dephasing time of 𝜏=7.81 ps for the single 𝑠⁢𝑝3 peak.}},
  author       = {{Hempel, F. and Rüsing, Michael and Vernuccio, F. and Spychala, K. J. and Buschbeck, R. and Cerullo, G. and Polli, D. and Eng, L. M.}},
  issn         = {{2469-9950}},
  journal      = {{Physical Review B}},
  number       = {{22}},
  publisher    = {{American Physical Society (APS)}},
  title        = {{{Phonon dephasing times determined with time-delayed broadband coherent anti-Stokes Raman scattering}}},
  doi          = {{10.1103/1ctr-csjy}},
  volume       = {{112}},
  year         = {{2025}},
}

@article{62865,
  author       = {{Sun, Jinming and Chen, Manna and Schumacher, Stefan and Hu, Wei and Ma, Xuekai}},
  issn         = {{2469-9950}},
  journal      = {{Physical Review B}},
  number       = {{11}},
  publisher    = {{American Physical Society (APS)}},
  title        = {{{Higher-order dark solitons and control dynamics in microcavity polariton condensates}}},
  doi          = {{10.1103/p357-vyq8}},
  volume       = {{112}},
  year         = {{2025}},
}

@article{63160,
  author       = {{Rose, Hendrik and Schumacher, Stefan and Meier, Torsten}},
  issn         = {{2469-9950}},
  journal      = {{Physical Review B}},
  number       = {{24}},
  publisher    = {{American Physical Society (APS)}},
  title        = {{{Microscopic approach to the quantized light-matter interaction in semiconductor nanostructures: Complex coupled dynamics of excitons, biexcitons, and photons}}},
  doi          = {{10.1103/528f-7smh}},
  volume       = {{112}},
  year         = {{2025}},
}

@article{55267,
  author       = {{Schäfer, F. and Trautmann, A. and Ngo, C. and Steiner, J. T. and Fuchs, C. and Volz, K. and Dobener, F. and Stein, M. and Meier, Torsten and Chatterjee, S.}},
  issn         = {{2469-9950}},
  journal      = {{Physical Review B}},
  number       = {{7}},
  publisher    = {{American Physical Society (APS)}},
  title        = {{{Optical Stark effect in type-II semiconductor heterostructures}}},
  doi          = {{10.1103/physrevb.109.075301}},
  volume       = {{109}},
  year         = {{2024}},
}

@article{57410,
  author       = {{Röder, J. and Gerhard, M. and Fuchs, C. and Stolz, W. and Heimbrodt, W. and Koch, M. and Ngo, C. and Steiner, J. T. and Meier, Torsten}},
  issn         = {{2469-9950}},
  journal      = {{Physical Review B}},
  number       = {{19}},
  publisher    = {{American Physical Society (APS)}},
  title        = {{{Charge transfer magnetoexcitons in magnetoabsorption spectra of asymmetric type-II double quantum wells}}},
  doi          = {{10.1103/physrevb.110.195306}},
  volume       = {{110}},
  year         = {{2024}},
}

@article{59274,
  abstract     = {{Recently, ion exchange (IE) has been used to periodically modify the coercive field (Ec) of the crystal prior to periodic poling, to fabricate fine-pitch domain structures in Rb-doped KTiOPO4 (RKTP). Here, we use micro-Raman spectroscopy to understand the impact of IE on the vibrational modes related to the Rb/K lattice sites, TiO octahedra, and PO4 tetrahedra, which all form the basis of the RKTP crystal structure. We analyze the Raman spectra of three different RKTP samples: (1) a RKTP sample that shows a poled domain grating only, (2) a RKTP sample that has an Ec grating only, and (3) a RKTP sample that has both an Ec and a domain grating of the nominally same spacing. This allows us to determine the impact of IE on the vibrational modes of RKTP. We characterize the changes in the lower Raman peaks related to the alkali-metal ions, as well as observe lattice modifications induced by the incorporation of Rb+ that extend further into the crystal bulk than the expected IE depth. Moreover, the influence of IE on the domain walls is also manifested in their Raman peak shift. We discuss our results in terms of the deformation of the PO4and TiO groups. Our results highlight the intricate impact of IE on the crystal structure and how it facilitates periodic poling, paving the way for further development of the Ec-engineering technique.}},
  author       = {{Lee, Cherrie S. J. and Canalias, Carlota and Buschbeck, Robin and Koppitz, Boris and Hempel, Franz and Amber, Zeeshan and Eng, Lukas M. and Rüsing, Michael}},
  issn         = {{2469-9950}},
  journal      = {{Physical Review B}},
  number       = {{21}},
  publisher    = {{American Physical Society (APS)}},
  title        = {{{Impact of ion exchange on vibrational modes in Rb-doped KTiOPO4: A Raman spectroscopy study on the interplay between ion exchange and polarization switching}}},
  doi          = {{10.1103/physrevb.110.214115}},
  volume       = {{110}},
  year         = {{2024}},
}

@article{48774,
  author       = {{Gao, Ying and Ma, Xuekai and Zhai, Xiaokun and Xing, Chunzi and Gao, Meini and Dai, Haitao and Wu, Hao and Liu, Tong and Ren, Yuan and Wang, Xiao and Pan, Anlian and Hu, Wei and Schumacher, Stefan and Gao, Tingge}},
  issn         = {{2469-9950}},
  journal      = {{Physical Review B}},
  number       = {{20}},
  pages        = {{205303}},
  publisher    = {{American Physical Society (APS)}},
  title        = {{{Single-shot spatial instability and electric control of polariton condensates at room temperature}}},
  doi          = {{10.1103/physrevb.108.205303}},
  volume       = {{108}},
  year         = {{2023}},
}

@article{49634,
  author       = {{Ruiz Alvarado, Isaac Azahel and Zare Pour, Mohammad Amin and Hannappel, Thomas and Schmidt, Wolf Gero}},
  issn         = {{2469-9950}},
  journal      = {{Physical Review B}},
  number       = {{4}},
  publisher    = {{American Physical Society (APS)}},
  title        = {{{Structural fingerprints in the reflectance anisotropy of AlInP(001)}}},
  doi          = {{10.1103/physrevb.108.045410}},
  volume       = {{108}},
  year         = {{2023}},
}

@article{46133,
  author       = {{Bopp, Frederik and Schall, Johannes and Bart, Nikolai and Vögl, Florian and Cullip, Charlotte and Sbresny, Friedrich and Boos, Katarina and Thalacker, Christopher and Lienhart, Michelle and Rodt, Sven and Reuter, Dirk and Ludwig, Arne and Wieck, Andreas D. and Reitzenstein, Stephan and Müller, Kai and Finley, Jonathan J.}},
  issn         = {{2469-9950}},
  journal      = {{Physical Review B}},
  number       = {{16}},
  publisher    = {{American Physical Society (APS)}},
  title        = {{{Coherent driving of direct and indirect excitons in a quantum dot molecule}}},
  doi          = {{10.1103/physrevb.107.165426}},
  volume       = {{107}},
  year         = {{2023}},
}

@article{61269,
  author       = {{Gao, Ying and Ma, Xuekai and Zhai, Xiaokun and Xing, Chunzi and Gao, Meini and Dai, Haitao and Wu, Hao and Liu, Tong and Ren, Yuan and Wang, Xiao and Pan, Anlian and Hu, Wei and Schumacher, Stefan and Gao, Tingge}},
  issn         = {{2469-9950}},
  journal      = {{Physical Review B}},
  number       = {{20}},
  publisher    = {{American Physical Society (APS)}},
  title        = {{{Single-shot spatial instability and electric control of polariton condensates at room temperature}}},
  doi          = {{10.1103/physrevb.108.205303}},
  volume       = {{108}},
  year         = {{2023}},
}

@article{30384,
  author       = {{Praschan, Tom and Heinze, Dirk and Breddermann, Dominik and Zrenner, Artur and Walther, Andrea and Schumacher, Stefan}},
  issn         = {{2469-9950}},
  journal      = {{Physical Review B}},
  number       = {{4}},
  publisher    = {{American Physical Society (APS)}},
  title        = {{{Pulse shaping for on-demand emission of single Raman photons from a quantum-dot biexciton}}},
  doi          = {{10.1103/physrevb.105.045302}},
  volume       = {{105}},
  year         = {{2022}},
}

@article{33679,
  author       = {{Zhang, Ruiming and Ruan, Wei and Yu, Junyao and Gao, Libo and Berger, Helmuth and Forró, László and Watanabe, Kenji and Taniguchi, Takashi and Ranjbar, Ahmad and Belosludov, Rodion V. and Kühne, Thomas and Bahramy, Mohammad Saeed and Xi, Xiaoxiang}},
  issn         = {{2469-9950}},
  journal      = {{Physical Review B}},
  number       = {{8}},
  publisher    = {{American Physical Society (APS)}},
  title        = {{{Second-harmonic generation in atomically thin <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mn>1</mml:mn><mml:mi>T</mml:mi><mml:mtext>−</mml:mtext><mml:mi>Ti</mml:mi><mml:msub><mml:mrow><mml:mi>Se</mml:mi></mml:mrow><mml:mn>2</mml:mn></mml:msub></mml:math> and its possible origin from charge density wave transitions}}},
  doi          = {{10.1103/physrevb.105.085409}},
  volume       = {{105}},
  year         = {{2022}},
}

@article{33680,
  author       = {{Khajehpasha, Ehsan Rahmatizad and Finkler, Jonas A. and Kühne, Thomas and Ghasemi, Alireza}},
  issn         = {{2469-9950}},
  journal      = {{Physical Review B}},
  number       = {{14}},
  publisher    = {{American Physical Society (APS)}},
  title        = {{{CENT2: Improved charge equilibration via neural network technique}}},
  doi          = {{10.1103/physrevb.105.144106}},
  volume       = {{105}},
  year         = {{2022}},
}

@article{47986,
  abstract     = {{Conductive domain walls (DWs) in insulating ferroelectrics have recently attracted considerable attention due to their unique topological, optical, and electronic properties, and offer potential applications such as in memory devices or rewritable circuitry. The electronic properties of DWs can be tuned by the application of strain, hence controlling the charge carrier density at DWs. In this paper, we study the influence of uniaxial stress on the conductivity of DWs in the bulk single crystal lithium niobate (LiNbO3). Using conductive atomic force microscopy, we observe a large asymmetry in the conductivity of DWs, where only negatively screened walls, so called head-to-head DWs, are becoming increasingly conductive, while positively screened, tail-to-tails DWs, show a decrease in conductivity. This asymmetry of DW conductivity agrees with our theoretical model based on the piezoelectric effect. In addition, we observed that the current in the DW increases up to an order of magnitude for smaller compressive stresses of 100 MPa. This response of DWs remained intact for multiple stress cycles over two months, opening a path for future applications.}},
  author       = {{Singh, Ekta and Beccard, Henrik and Amber, Zeeshan H. and Ratzenberger, Julius and Hicks, Clifford W. and Rüsing, Michael and Eng, Lukas M.}},
  issn         = {{2469-9950}},
  journal      = {{Physical Review B}},
  number       = {{14}},
  publisher    = {{American Physical Society (APS)}},
  title        = {{{Tuning domain wall conductivity in bulk lithium niobate by uniaxial stress}}},
  doi          = {{10.1103/physrevb.106.144103}},
  volume       = {{106}},
  year         = {{2022}},
}

@article{37319,
  author       = {{Grisard, S. and Rose, Hendrik and Trifonov, A. V. and Reichhardt, R. and Reiter, D. E. and Reichelt, Matthias and Schneider, C. and Kamp, M. and Höfling, S. and Bayer, M. and Meier, Torsten and Akimov, I. A.}},
  issn         = {{2469-9950}},
  journal      = {{Physical Review B}},
  number       = {{20}},
  publisher    = {{American Physical Society (APS)}},
  title        = {{{Multiple Rabi rotations of trions in InGaAs quantum dots observed by photon echo spectroscopy with spatially shaped laser pulses}}},
  doi          = {{10.1103/physrevb.106.205408}},
  volume       = {{106}},
  year         = {{2022}},
}

@article{37323,
  author       = {{Paul, J. and Rose, Hendrik and Swagel, E. and Meier, Torsten and Wahlstrand, J. K. and Bristow, A. D.}},
  issn         = {{2469-9950}},
  journal      = {{Physical Review B}},
  number       = {{11}},
  publisher    = {{American Physical Society (APS)}},
  title        = {{{Coherent contributions to population dynamics in a semiconductor microcavity}}},
  doi          = {{10.1103/physrevb.105.115307}},
  volume       = {{105}},
  year         = {{2022}},
}

@article{40431,
  author       = {{Praschan, Tom and Heinze, Dirk and Breddermann, Dominik and Zrenner, Artur and Walther, Andrea and Schumacher, Stefan}},
  issn         = {{2469-9950}},
  journal      = {{Physical Review B}},
  number       = {{4}},
  publisher    = {{American Physical Society (APS)}},
  title        = {{{Pulse shaping for on-demand emission of single Raman photons from a quantum-dot biexciton}}},
  doi          = {{10.1103/physrevb.105.045302}},
  volume       = {{105}},
  year         = {{2022}},
}