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102 Publications
2021 | Journal Article | LibreCat-ID: 22310
S. Neufeld, A. Bocchini, and W. G. Schmidt, “Potassium titanyl phosphate Z- and Y-cut surfaces from density-functional theory,” Physical Review Materials, 2021, doi: 10.1103/physrevmaterials.5.064407.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 22960 |

N. Bidaraguppe Ramesh, F. Schmidt, and A. Schindlmayr, “Lattice parameters and electronic band gap of orthorhombic potassium sodium niobate K0.5Na0.5NbO3 from density-functional theory,” The European Physical Journal B, vol. 94, no. 8, Art. no. 169, 2021, doi: 10.1140/epjb/s10051-021-00179-8.
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| DOI
| WoS
2021 | Journal Article | LibreCat-ID: 23418 |

A. L. Kozub, A. Schindlmayr, U. Gerstmann, and W. G. Schmidt, “Polaronic enhancement of second-harmonic generation in lithium niobate,” Physical Review B, vol. 104, p. 174110, 2021, doi: 10.1103/PhysRevB.104.174110.
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| arXiv
2020 | Journal Article | LibreCat-ID: 25920
L. Padberg et al., “Characterisation of width-dependent diffusion dynamics in rubidium-exchanged KTP waveguides,” Optics Express, Art. no. 24353, 2020, doi: 10.1364/oe.397074.
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 21025
C. Eigner, L. Padberg, M. Santandrea, H. Herrmann, B. Brecht, and C. Silberhorn, “Spatially single mode photon pair source at 800 nm in periodically poled Rubidium exchanged KTP waveguides,” Optics Express, vol. 28, no. 22, Art. no. 32925–32935, 2020, doi: 10.1364/oe.399483.
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 17067
E. Speiser, N. Esser, B. Halbig, J. Geurts, W. G. Schmidt, and S. Sanna, “Vibrational Raman spectroscopy on adsorbate-induced low-dimensional surface structures,” Surface Science Reports, vol. 75, no. 1, Art. no. 100480, 2020, doi: 10.1016/j.surfrep.2020.100480.
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 19190 |

F. Schmidt et al., “Free and defect-bound (bi)polarons in LiNbO3: Atomic structure and spectroscopic signatures from ab initio calculations,” Physical Review Research, vol. 2, no. 4, Art. no. 043002, 2020, doi: 10.1103/PhysRevResearch.2.043002.
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2020 | Journal Article | LibreCat-ID: 17068
C. Braun et al., “Vibration-Driven Self-Doping of Dangling-Bond Wires on Si(553)-Au Surfaces,” Physical Review Letters, vol. 124, no. 14, 2020, doi: 10.1103/physrevlett.124.146802.
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 40444
H. J. von Bardeleben, E. Rauls, and U. Gerstmann, “Carbon vacancy-related centers in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mn>3</mml:mn><mml:mi>C</mml:mi></mml:math>-silicon carbide: Negative-<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mi>U</mml:mi></mml:math> properties and structural transformation,” Physical Review B, vol. 101, no. 18, Art. no. 184108, 2020, doi: 10.1103/physrevb.101.184108.
LibreCat
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2020 | Journal Article | LibreCat-ID: 20682
A. Bocchini, C. Eigner, C. Silberhorn, W. G. Schmidt, and U. Gerstmann, “Understanding gray track formation in KTP: Ti^3+ centers studied from first principles,” Phys. Rev. Materials, vol. 4, p. 124402, 2020, doi: 10.1103/PhysRevMaterials.4.124402.
LibreCat
| DOI
2019 | Journal Article | LibreCat-ID: 14544
J. Vondran et al., “Spatially asymmetric transients of propagating exciton-polariton modes in a planar CdZnTe/CdMgTe guiding structure,” Physical Review B, vol. 100, no. 15, p. 155308, 2019, doi: 10.1103/physrevb.100.155308.
LibreCat
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2019 | Journal Article | LibreCat-ID: 10014 |

F. Schmidt et al., “Quasiparticle and excitonic effects in the optical response of KNbO3,” Physical Review Materials, vol. 3, no. 5, Art. no. 054401, 2019, doi: 10.1103/PhysRevMaterials.3.054401.
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| WoS
2019 | Journal Article | LibreCat-ID: 29746
C. W. Nicholson et al., “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,” Physical Review B, vol. 99, no. 15, Art. no. 155107, 2019, doi: 10.1103/physrevb.99.155107.
LibreCat
| DOI
2019 | Journal Article | LibreCat-ID: 10015
C. Dues, W. G. Schmidt, and S. Sanna, “Water Splitting Reaction at Polar Lithium Niobate Surfaces,” ACS Omega, pp. 3850–3859, 2019, doi: 10.1021/acsomega.8b03271.
LibreCat
| DOI
2019 | Journal Article | LibreCat-ID: 13365 |

S. Neufeld, A. Bocchini, U. Gerstmann, A. Schindlmayr, and W. G. Schmidt, “Potassium titanyl phosphate (KTP) quasiparticle energies and optical response,” Journal of Physics: Materials, vol. 2, p. 045003, 2019, doi: 10.1088/2515-7639/ab29ba.
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| DOI
| WoS
2019 | Journal Article | LibreCat-ID: 22887
J. Vondran et al., “Spatially asymmetric transients of propagating exciton-polariton modes in a planar CdZnTe/CdMgTe guiding structure,” Physical Review B, vol. 100, no. 15, p. 155308, 2019, doi: 10.1103/physrevb.100.155308.
LibreCat
| DOI