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98 Publications
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2022 | Book Chapter | LibreCat-ID: 30288
Schmidt, F., Kozub, A. L., Gerstmann, U., Schmidt, W. G., & Schindlmayr, A. (2022). Electron polarons in lithium niobate: Charge localization, lattice deformation, and optical response. In G. Corradi & L. Kovács (Eds.), New Trends in Lithium Niobate: From Bulk to Nanocrystals (pp. 231–248). MDPI. https://doi.org/10.3390/books978-3-0365-3339-1
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2022 | Journal Article | LibreCat-ID: 37711
Krenz, M., Gerstmann, U., & Schmidt, W. G. (2022). Bound polaron formation in lithium niobate from ab initio molecular dynamics. Applied Physics A, 128, 480. https://doi.org/10.1007/s00339-022-05577-y
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2022 | Journal Article | LibreCat-ID: 33484 |

Padberg, L., Quiring, V., Bocchini, A., Santandrea, M., Gerstmann, U., Schmidt, W. G., Silberhorn, C., & Eigner, C. (2022). DC Ionic Conductivity in KTP and Its Isomorphs: Properties, Methods for Suppression, and Its Connection to Gray Tracking. Crystals, 12, 1359. https://doi.org/10.3390/cryst12101359
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2022 | Journal Article | LibreCat-ID: 26627 |

Neufeld, S., Schindlmayr, A., & Schmidt, W. G. (2022). Quasiparticle energies and optical response of RbTiOPO4 and KTiOAsO4. Journal of Physics: Materials, 5(1), Article 015002. https://doi.org/10.1088/2515-7639/ac3384
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2022 | Journal Article | LibreCat-ID: 37713
Murzakhanov, F. F., Mamin, G. V., Orlinskii, S. B., Gerstmann, U., Schmidt, W. G., Biktagirov, T., Aharonovich, I., Gottscholl, A., Sperlich, A., Dyakonov, V., & Soltamov, V. A. (2022). Electron–Nuclear Coherent Coupling and Nuclear Spin Readout through Optically Polarized VB– Spin States in hBN. Nano Letters, 22(7), 2718–2724. https://doi.org/10.1021/acs.nanolett.1c04610
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2022 | Journal Article | LibreCat-ID: 33965 |

Bocchini, A., Gerstmann, U., Bartley, T., Steinrück, H.-G., Henkel, G., & Schmidt, W. G. (2022). Electrochemical performance of KTiOAsO_4 (KTA) in potassium-ion batteries from density-functional theory. Phys. Rev. Materials, 6, 105401. https://doi.org/10.1103/PhysRevMaterials.6.105401
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2022 | Journal Article | LibreCat-ID: 31254
Bocchini, A., Gerstmann, U., & Schmidt, W. G. (2022). Oxygen vacancies in KTiOPO_4: Optical absorption from hybrid DFT. Phys. Rev. B, 105, 205118. https://doi.org/10.1103/PhysRevB.105.205118
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2022 | Conference Paper | LibreCat-ID: 46484
Liu, B., Huang, L., & Zentgraf, T. (2022). Efficient Third-harmonic Generation Control with Ultrathin Dielectric Geometric-phase Metasurface. Conference on Lasers and Electro-Optics, Article FTh1A.7. CLEO: QELS_Fundamental Science 2022, San Jose, USA. https://doi.org/10.1364/cleo_qels.2022.fth1a.7
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2021 | Journal Article | LibreCat-ID: 23815
Aschwanden, R., Köthemann, R., Albert, M., Golla, C., & Meier, C. (2021). Optical properties of silicon oxynitride films grown by plasma-enhanced chemical vapor deposition. Thin Solid Films, 736. https://doi.org/10.1016/j.tsf.2021.138887
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2021 | Journal Article | LibreCat-ID: 20900
Albert, M., Golla, C., & Meier, C. (2021). Optical in-situ temperature management for high-quality ZnO molecular beam epitaxy. Journal of Crystal Growth, 557. https://doi.org/10.1016/j.jcrysgro.2020.126009
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2021 | Journal Article | LibreCat-ID: 25227 |

Hajlaoui, M., Ponzoni, S., Deppe, M., Henksmeier, T., As, D. J., Reuter, D., Zentgraf, T., Springholz, G., Schneider, C. M., Cramm, S., & Cinchetti, M. (2021). Extremely low-energy ARPES of quantum well states in cubic-GaN/AlN and GaAs/AlGaAs heterostructures. Scientific Reports, 11, Article 19081. https://doi.org/10.1038/s41598-021-98569-6
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2021 | Journal Article | LibreCat-ID: 29747
Jurgen von Bardeleben, H., Cantin, J.-L., Gerstmann, U., Schmidt, W. G., & Biktagirov, T. (2021). Spin Polarization, Electron–Phonon Coupling, and Zero-Phonon Line of the NV Center in 3C-SiC. Nano Letters, 21(19), 8119–8125. https://doi.org/10.1021/acs.nanolett.1c02564
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2021 | Journal Article | LibreCat-ID: 29748
Slawig, D., Gruschwitz, M., Gerstmann, U., Rauls, E., & Tegenkamp, C. (2021). Adsorption and Reaction of PbPc on Hydrogenated Epitaxial Graphene. The Journal of Physical Chemistry C, 125(36), 20087–20093. https://doi.org/10.1021/acs.jpcc.1c06320
LibreCat
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2021 | Journal Article | LibreCat-ID: 21946 |

Schmidt, F., Kozub, A. L., Gerstmann, U., Schmidt, W. G., & Schindlmayr, A. (2021). Electron polarons in lithium niobate: Charge localization, lattice deformation, and optical response. Crystals, 11, 542. https://doi.org/10.3390/cryst11050542
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2021 | Journal Article | LibreCat-ID: 22010
Aldahhak, H., Hogan, C., Lindner, S., Appelfeller, S., Eisele, H., Schmidt, W. G., Dähne, M., Gerstmann, U., & Franz, M. (2021). Electronic structure of the Si(111)3×3R30∘−B surface from theory and photoemission spectroscopy. Physical Review B, 103, 035303. https://doi.org/10.1103/physrevb.103.035303
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2021 | Journal Article | LibreCat-ID: 22881
Nguyen, T. T. N., Sollfrank, T., Tegenkamp, C., Rauls, E., & Gerstmann, U. (2021). Impact of screening and relaxation on weakly coupled two-dimensional heterostructures. Physical Review B, 103, L201408. https://doi.org/10.1103/physrevb.103.l201408
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2021 | Journal Article | LibreCat-ID: 22310
Neufeld, S., Bocchini, A., & Schmidt, W. G. (2021). Potassium titanyl phosphate Z- and Y-cut surfaces from density-functional theory. Physical Review Materials. https://doi.org/10.1103/physrevmaterials.5.064407
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2021 | Journal Article | LibreCat-ID: 22960 |

Bidaraguppe Ramesh, N., Schmidt, F., & Schindlmayr, A. (2021). Lattice parameters and electronic band gap of orthorhombic potassium sodium niobate K0.5Na0.5NbO3 from density-functional theory. The European Physical Journal B, 94(8), Article 169. https://doi.org/10.1140/epjb/s10051-021-00179-8
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2021 | Journal Article | LibreCat-ID: 23418 |

Kozub, A. L., Schindlmayr, A., Gerstmann, U., & Schmidt, W. G. (2021). Polaronic enhancement of second-harmonic generation in lithium niobate. Physical Review B, 104, 174110. https://doi.org/10.1103/PhysRevB.104.174110
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2020 | Journal Article | LibreCat-ID: 20644
Volmert, R., Weber, N., & Meier, C. (2020). Nanoantennas embedded in zinc oxide for second harmonic generation enhancement. Journal of Applied Physics, 128(4). https://doi.org/10.1063/5.0012813
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