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95 Publications


2022 | Journal Article | LibreCat-ID: 33965 | OA
Electrochemical performance of KTiOAsO_4 (KTA) in potassium-ion batteries from density-functional theory
A. Bocchini, U. Gerstmann, T. Bartley, H.-G. Steinrück, G. Henkel, W.G. Schmidt, Phys. Rev. Materials 6 (2022) 105401.
LibreCat | Files available | DOI | Download (ext.)
 

2022 | Journal Article | LibreCat-ID: 31254
Oxygen vacancies in KTiOPO_4: Optical absorption from hybrid DFT
A. Bocchini, U. Gerstmann, W.G. Schmidt, Phys. Rev. B 105 (2022) 205118.
LibreCat | DOI
 

2022 | Conference Paper | LibreCat-ID: 46484
Efficient Third-harmonic Generation Control with Ultrathin Dielectric Geometric-phase Metasurface
B. Liu, L. Huang, T. Zentgraf, in: Conference on Lasers and Electro-Optics, Optica Publishing Group, 2022.
LibreCat | DOI
 

2022 | Journal Article | LibreCat-ID: 44088 | OA
A density-functional theory study of hole and defect-bound exciton polarons in lithium niobate
F. Schmidt, A.L. Kozub, U. Gerstmann, W.G. Schmidt, A. Schindlmayr, Crystals 12 (2022).
LibreCat | Files available | DOI | WoS
 

2022 | Journal Article | LibreCat-ID: 54849
Third‐Order Susceptibility of Lithium Niobate: Influence of Polarons and Bipolarons
A.L. Kozub, U. Gerstmann, W.G. Schmidt, Physica Status Solidi (b) 260 (2022).
LibreCat | DOI
 

2021 | Journal Article | LibreCat-ID: 23815
Optical properties of silicon oxynitride films grown by plasma-enhanced chemical vapor deposition
R. Aschwanden, R. Köthemann, M. Albert, C. Golla, C. Meier, Thin Solid Films 736 (2021).
LibreCat | DOI
 

2021 | Journal Article | LibreCat-ID: 20900
Optical in-situ temperature management for high-quality ZnO molecular beam epitaxy
M. Albert, C. Golla, C. Meier, Journal of Crystal Growth 557 (2021).
LibreCat | DOI
 

2021 | Journal Article | LibreCat-ID: 29747
Spin Polarization, Electron–Phonon Coupling, and Zero-Phonon Line of the NV Center in 3C-SiC
H. Jurgen von Bardeleben, J.-L. Cantin, U. Gerstmann, W.G. Schmidt, T. Biktagirov, Nano Letters 21 (2021) 8119–8125.
LibreCat | DOI
 

2021 | Journal Article | LibreCat-ID: 29748
Adsorption and Reaction of PbPc on Hydrogenated Epitaxial Graphene
D. Slawig, M. Gruschwitz, U. Gerstmann, E. Rauls, C. Tegenkamp, The Journal of Physical Chemistry C 125 (2021) 20087–20093.
LibreCat | DOI
 

2021 | Journal Article | LibreCat-ID: 21946 | OA
Electron polarons in lithium niobate: Charge localization, lattice deformation, and optical response
F. Schmidt, A.L. Kozub, U. Gerstmann, W.G. Schmidt, A. Schindlmayr, Crystals 11 (2021) 542.
LibreCat | Files available | DOI | WoS
 

2021 | Journal Article | LibreCat-ID: 22010
Electronic structure of the Si(111)3×3R30∘−B surface from theory and photoemission spectroscopy
H. Aldahhak, C. Hogan, S. Lindner, S. Appelfeller, H. Eisele, W.G. Schmidt, M. Dähne, U. Gerstmann, M. Franz, Physical Review B 103 (2021) 035303.
LibreCat | DOI
 

2021 | Journal Article | LibreCat-ID: 22881
Impact of screening and relaxation on weakly coupled two-dimensional heterostructures
T.T.N. Nguyen, T. Sollfrank, C. Tegenkamp, E. Rauls, U. Gerstmann, Physical Review B 103 (2021) L201408.
LibreCat | DOI
 

2021 | Journal Article | LibreCat-ID: 22310
Potassium titanyl phosphate Z- and Y-cut surfaces from density-functional theory
S. Neufeld, A. Bocchini, W.G. Schmidt, Physical Review Materials (2021).
LibreCat | DOI
 

2021 | Journal Article | LibreCat-ID: 22960 | OA
Lattice parameters and electronic band gap of orthorhombic potassium sodium niobate K0.5Na0.5NbO3 from density-functional theory
N. Bidaraguppe Ramesh, F. Schmidt, A. Schindlmayr, The European Physical Journal B 94 (2021).
LibreCat | Files available | DOI | WoS
 

2021 | Journal Article | LibreCat-ID: 23418 | OA
Polaronic enhancement of second-harmonic generation in lithium niobate
A.L. Kozub, A. Schindlmayr, U. Gerstmann, W.G. Schmidt, Physical Review B 104 (2021) 174110.
LibreCat | Files available | DOI | WoS | arXiv
 

2021 | Journal Article | LibreCat-ID: 25227 | OA
Extremely low-energy ARPES of quantum well states in cubic-GaN/AlN and GaAs/AlGaAs heterostructures
M. Hajlaoui, S. Ponzoni, M. Deppe, T. Henksmeier, D.J. As, D. Reuter, T. Zentgraf, G. Springholz, C.M. Schneider, S. Cramm, M. Cinchetti, Scientific Reports 11 (2021).
LibreCat | DOI | Download (ext.)
 

2020 | Journal Article | LibreCat-ID: 20644
Nanoantennas embedded in zinc oxide for second harmonic generation enhancement
R. Volmert, N. Weber, C. Meier, Journal of Applied Physics 128 (2020).
LibreCat | DOI | WoS
 

2020 | Journal Article | LibreCat-ID: 21025
Spatially single mode photon pair source at 800 nm in periodically poled Rubidium exchanged KTP waveguides
C. Eigner, L. Padberg, M. Santandrea, H. Herrmann, B. Brecht, C. Silberhorn, Optics Express 28 (2020).
LibreCat | DOI
 

2020 | Journal Article | LibreCat-ID: 17067
Vibrational Raman spectroscopy on adsorbate-induced low-dimensional surface structures
E. Speiser, N. Esser, B. Halbig, J. Geurts, W.G. Schmidt, S. Sanna, Surface Science Reports 75 (2020).
LibreCat | DOI
 

2020 | Journal Article | LibreCat-ID: 19190 | OA
Free and defect-bound (bi)polarons in LiNbO3: Atomic structure and spectroscopic signatures from ab initio calculations
F. Schmidt, A.L. Kozub, T. Biktagirov, C. Eigner, C. Silberhorn, A. Schindlmayr, W.G. Schmidt, U. Gerstmann, Physical Review Research 2 (2020).
LibreCat | Files available | DOI | WoS
 

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