Badalov, Sabuhi, René Wilhelm, and Wolf Gero Schmidt. “Photocatalytic Properties of            Graphenesupported            Titania Clusters from            Densityfunctional            Theory.”https://doi.org/10.1002/jcc.26363__Journal of Computational Chemistry, 2020, 1921–30.https://doi.org/10.1002/jcc.26363 .
LibreCat: /record/19189
DOI: 10.1002/jcc.26363

Bocchini, Adriana, Christof Eigner, Christine Silberhorn, Wolf Gero Schmidt, and Uwe Gerstmann. “Understanding Gray Track Formation in KTP: Ti^3+ Centers Studied from First Principles.”https://doi.org/10.1103/PhysRevMaterials.4.124402__Phys. Rev. Materials 4 (2020): 124402.https://doi.org/10.1103/PhysRevMaterials.4.124402 .
LibreCat: /record/20682
DOI: 10.1103/PhysRevMaterials.4.124402

Schmidt, Falko, Arthur Riefer, Wolf Gero Schmidt, Arno Schindlmayr, Mirco Imlau, Florian Dobener, Nils Mengel, Sangam Chatterjee, and Simone Sanna. “Quasiparticle and Excitonic Effects in the Optical Response of KNbO3.”https://doi.org/10.1103/PhysRevMaterials.3.054401__Physical Review Materials 3, no. 5 (2019).https://doi.org/10.1103/PhysRevMaterials.3.054401 .
LibreCat: /record/10014
DOI: 10.1103/PhysRevMaterials.3.054401
WoS: 000467044000003

Nicholson, C. W., M. Puppin, A. Lücke, Uwe Gerstmann, Marvin Krenz, Wolf Gero Schmidt, L. Rettig, R. Ernstorfer, and M. Wolf. “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.”https://doi.org/10.1103/physrevb.99.155107__Physical Review B 99, no. 15 (2019).https://doi.org/10.1103/physrevb.99.155107 .
LibreCat: /record/29746
DOI: 10.1103/physrevb.99.155107

Dues, Christof, Wolf Gero Schmidt, and Simone Sanna. “Water Splitting Reaction at Polar Lithium Niobate Surfaces.”https://doi.org/10.1021/acsomega.8b03271__ACS Omega, 2019, 3850–59.https://doi.org/10.1021/acsomega.8b03271 .
LibreCat: /record/10015
DOI: 10.1021/acsomega.8b03271

Neufeld, Sergej, Adriana Bocchini, Uwe Gerstmann, Arno Schindlmayr, and Wolf Gero Schmidt. “Potassium Titanyl Phosphate (KTP) Quasiparticle Energies and Optical Response.”https://doi.org/10.1088/2515-7639/ab29ba__Journal of Physics: Materials 2 (2019): 045003.https://doi.org/10.1088/2515-7639/ab29ba .
LibreCat: /record/13365
DOI: 10.1088/2515-7639/ab29ba
WoS: 000560410300003

Bocchini, Adriana, Sergej Neufeld, Uwe Gerstmann, and Wolf Gero Schmidt. “Oxygen and Potassium Vacancies in KTP Calculated from First Principles.”https://doi.org/10.1088/1361-648x/ab295c__Journal of Physics: Condensed Matter 31 (2019): 385401.https://doi.org/10.1088/1361-648x/ab295c .
LibreCat: /record/13429
DOI: 10.1088/1361-648x/ab295c

Naumova, Maria, Dmitry Khakhulin, Mateusz Rebarz, Martin Rohrmüller, Benjamin Dicke, Mykola Biednov, Alexander Britz, et al. “Structural Dynamics upon Photoexcitation-Induced Charge Transfer in a Dicopper(i)–Disulfide Complex.”https://doi.org/10.1039/c7cp04880g__Physical Chemistry Chemical Physics, 2018, 6274–86.https://doi.org/10.1039/c7cp04880g .
LibreCat: /record/13407
DOI: 10.1039/c7cp04880g

Lichtenstein, T., Z. Mamiyev, C. Braun, S. Sanna, Wolf Gero Schmidt, C. Tegenkamp, and H. Pfnür. “Probing Quasi-One-Dimensional Band Structures by Plasmon Spectroscopy.”https://doi.org/10.1103/physrevb.97.165421__Physical Review B 97, no. 16 (2018).https://doi.org/10.1103/physrevb.97.165421 .
LibreCat: /record/13408
DOI: 10.1103/physrevb.97.165421

Biktagirov, Timur, Wolf Gero Schmidt, and Uwe Gerstmann. “Calculation of Spin-Spin Zero-Field Splitting within Periodic Boundary Conditions: Towards All-Electron Accuracy.”https://doi.org/10.1103/physrevb.97.115135__Physical Review B 97, no. 11 (2018).https://doi.org/10.1103/physrevb.97.115135 .
LibreCat: /record/13409
DOI: 10.1103/physrevb.97.115135

Friedrich, Michael, Wolf Gero Schmidt, Arno Schindlmayr, and Simone Sanna. “Erratum: Optical Properties of Titanium-Doped Lithium Niobate from Time-Dependent Density-Functional Theory [Phys. Rev. Materials 1, 034401 (2017)].”https://doi.org/10.1103/PhysRevMaterials.2.019902__Physical Review Materials 2, no. 1 (2018).https://doi.org/10.1103/PhysRevMaterials.2.019902 .
LibreCat: /record/13410
DOI: 10.1103/PhysRevMaterials.2.019902
WoS: 000419778500006

Halbig, B., M. Liebhaber, U. Bass, J. Geurts, E. Speiser, J. Räthel, S. Chandola, et al. “Vibrational Properties of the Au-(3×3)/Si(111) Surface Reconstruction.”https://doi.org/10.1103/physrevb.97.035412__Physical Review B 97, no. 3 (2018).https://doi.org/10.1103/physrevb.97.035412 .
LibreCat: /record/13411
DOI: 10.1103/physrevb.97.035412

Seino, Kaori, Simone Sanna, and Wolf Gero Schmidt. “Temperature Stabilizes Rough Au/Ge(001) Surface Reconstructions.”https://doi.org/10.1016/j.susc.2017.10.005__Surface Science 667 (2018): 101–4.https://doi.org/10.1016/j.susc.2017.10.005 .
LibreCat: /record/13413
DOI: 10.1016/j.susc.2017.10.005

Lichtenstein, T., Z. Mamiyev, Christian Braun, S. Sanna, Wolf Gero Schmidt, C. Tegenkamp, and H. Pfnür. “Probing Quasi-One-Dimensional Band Structures by Plasmon Spectroscopy.”https://doi.org/10.1103/physrevb.97.165421__Physical Review B 97, no. 16 (2018).https://doi.org/10.1103/physrevb.97.165421 .
LibreCat: /record/13430
DOI: 10.1103/physrevb.97.165421

Esser, Norbert, and Wolf Gero Schmidt. “Electric Field Induced Raman Scattering at the Sb–InP(110) Interface: The Surface Dipole Contribution.”https://doi.org/10.1002/pssb.201800314__Physica Status Solidi (b), no. 256 (2018).https://doi.org/10.1002/pssb.201800314 .
LibreCat: /record/17065
DOI: 10.1002/pssb.201800314

Schmidt, Claudia, J. Bühler, A.-C. Heinrich, J. Allerbeck, R. Podzimski, Daniel Berghoff, Torsten Meier, et al. “Signatures of Transient Wannier-Stark Localization in Bulk Gallium Arsenide.”https://doi.org/10.1038/s41467-018-05229-x__Nature Communications 9 (2018).https://doi.org/10.1038/s41467-018-05229-x .
LibreCat: /record/10018
DOI: 10.1038/s41467-018-05229-x

Müller, Patrick, Kristof Karhan, Matthias Krack, Uwe Gerstmann, Wolf Gero Schmidt, Matthias Bauer, and Thomas D. Kühne. “Impact of Finite-Temperature and Condensed-Phase Effects on Theoretical X-Ray Absorption Spectra of Transition Metal Complexes.”https://doi.org/10.1002/jcc.25641__Journal of Computational Chemistry, 2018, 712–16.https://doi.org/10.1002/jcc.25641 .
LibreCat: /record/13405
DOI: 10.1002/jcc.25641

Mamiyev, Z., T. Lichtenstein, C. Tegenkamp, Christian Braun, Wolf Gero Schmidt, S. Sanna, and H. Pfnür. “Plasmon Spectroscopy: Robust Metallicity of Au Wires on Si(557) upon Oxidation.”https://doi.org/10.1103/physrevmaterials.2.066002__Physical Review Materials 2, no. 6 (2018).https://doi.org/10.1103/physrevmaterials.2.066002 .
LibreCat: /record/13406
DOI: 10.1103/physrevmaterials.2.066002

Biktagirov, Timur, Wolf Gero Schmidt, Uwe Gerstmann, Boris Yavkin, Sergei Orlinskii, Pavel Baranov, Vladimir Dyakonov, and Victor Soltamov. “Polytypism Driven Zero-Field Splitting of Silicon Vacancies in 6H-SiC.”https://doi.org/10.1103/physrevb.98.195204__Physical Review B 98, no. 19 (2018).https://doi.org/10.1103/physrevb.98.195204 .
LibreCat: /record/13403
DOI: 10.1103/physrevb.98.195204

Braun, Christian, Uwe Gerstmann, and Wolf Gero Schmidt. “Spin Pairing versus Spin Chains at Si(553)-Au Surfaces.”https://doi.org/10.1103/physrevb.98.121402__Physical Review B 98, no. 12 (2018).https://doi.org/10.1103/physrevb.98.121402 .
LibreCat: /record/13404
DOI: 10.1103/physrevb.98.121402