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377 Publications
2013 | Journal Article | LibreCat-ID: 13518
Frigge, T., S. Wall, B. Krenzer, St. Wippermann, S. Sanna, F. Klasing, A. Hanisch-Blicharski, M. Kammler, Wolf Gero Schmidt, and M. Horn-von Hoegen. “Friggeet al.Reply:” Physical Review Letters 111 (2013): 149602. https://doi.org/10.1103/physrevlett.111.149602.
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| DOI
2013 | Journal Article | LibreCat-ID: 13519
Riefer, A., S. Sanna, and Wolf Gero Schmidt. “LiNb1-XTaxO3Electronic Structure and Optical Response FromFirst-PrinciplesCalculations.” Ferroelectrics 447 (2013): 78–85. https://doi.org/10.1080/00150193.2013.821904.
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| DOI
2013 | Journal Article | LibreCat-ID: 13528
George, B. M., J. Behrends, A. Schnegg, T. F. Schulze, M. Fehr, L. Korte, B. Rech, et al. “Atomic Structure of Interface States in Silicon Heterojunction Solar Cells.” Physical Review Letters 110, no. 13 (2013). https://doi.org/10.1103/physrevlett.110.136803.
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2013 | Journal Article | LibreCat-ID: 13527
Rohrmüller, M., S. Herres-Pawlis, M. Witte, and Wolf Gero Schmidt. “Bis-μ-Oxo and μ-Η2:Η2-Peroxo Dicopper Complexes Studied within (Time-Dependent) Density-Functional and Many-Body Perturbation Theory.” Journal of Computational Chemistry 34 (2013): 1035–45. https://doi.org/10.1002/jcc.23230.
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2013 | Journal Article | LibreCat-ID: 13525 | 
Riefer, Arthur, Simone Sanna, Arno Schindlmayr, and Wolf Gero Schmidt. “Optical Response of Stoichiometric and Congruent Lithium Niobate from First-Principles Calculations.” Physical Review B 87, no. 19 (2013). https://doi.org/10.1103/PhysRevB.87.195208.
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2013 | Journal Article | LibreCat-ID: 13526
Eberhard, Jens, Ion Stoll, Regina Brockhinke, Beate Neumann, Hans-Georg Stammler, Arthur Riefer, Eva Rauls, Wolf Gero Schmidt, and Jochen Mattay. “Structural Variety of 5-Fluoroarene-2-Aminopyrimidine in Comparison to 2-Aminopyrimidine Silver(i) Coordination Polymers: Progress Report and Overview.” CrystEngComm 15, no. 21 (2013). https://doi.org/10.1039/c2ce26388b.
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 13819
Riefer, A., S. Sanna, and Wolf Gero Schmidt. “LiNb1-XTaxO3Electronic Structure and Optical Response FromFirst-PrinciplesCalculations.” Ferroelectrics 447 (2013): 78–85. https://doi.org/10.1080/00150193.2013.821904.
LibreCat
| DOI
2013 | Book Chapter | LibreCat-ID: 18475
Riefer, Arthur, Martin Rohrmüller, Marc Landmann, Simone Sanna, Eva Rauls, Nora Jenny Vollmers, Rebecca Hölscher, et al. “Lithium Niobate Dielectric Function and Second-Order Polarizability Tensor from Massively Parallel Ab Initio Calculations.” In High Performance Computing in Science and Engineering ‘13, edited by Wolfgang E. Nagel, Dietmar H. Kröner, and Michael M. Resch, 93–104. Transactions of the High Performance Computing Center, Stuttgart. Cham: Springer, 2013. https://doi.org/10.1007/978-3-319-02165-2_8.
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2012 | Journal Article | LibreCat-ID: 13546
Riefer, A., E. Rauls, Wolf Gero Schmidt, J. Eberhard, I. Stoll, and J. Mattay. “2-Aminopyrimidine-Silver(I) Based Organic Semiconductors: Electronic Structure and Optical Response.” Physical Review B 85, no. 16 (2012). https://doi.org/10.1103/physrevb.85.165202.
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| DOI
2012 | Journal Article | LibreCat-ID: 13545
Landmann, M, E Rauls, and Wolf Gero Schmidt. “The Electronic Structure and Optical Response of Rutile, Anatase and Brookite TiO2.” Journal of Physics: Condensed Matter 24 (2012). https://doi.org/10.1088/0953-8984/24/19/195503.
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2012 | Journal Article | LibreCat-ID: 13548
Thissen, Peter, Vera Thissen, Stefan Wippermann, Yves J. Chabal, Guido Grundmeier, and Wolf Gero Schmidt. “PH-Dependent Structure and Energetics of H2O/MgO(100).” Surface Science 606 (2012): 902–7. https://doi.org/10.1016/j.susc.2012.01.018.
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13542
Thissen, Peter, Tatiana Peixoto, Roberto C. Longo, Weina Peng, Wolf Gero Schmidt, Kyeongjae Cho, and Yves J. Chabal. “Activation of Surface Hydroxyl Groups by Modification of H-Terminated Si(111) Surfaces.” Journal of the American Chemical Society 134 (2012): 8869–74. https://doi.org/10.1021/ja300270w.
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| DOI
2012 | Journal Article | LibreCat-ID: 13543
Rauls, E., Wolf Gero Schmidt, T. Pertram, and K. Wandelt. “Interplay between Metal-Free Phthalocyanine Molecules and Au(110) Substrates.” Surface Science 606 (2012): 1120–25. https://doi.org/10.1016/j.susc.2012.03.010.
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2012 | Journal Article | LibreCat-ID: 13560
Hölscher, R., S. Sanna, and Wolf Gero Schmidt. “Adsorption of OH and H at the LiNbO3(0001) Surface.” Physica Status Solidi (c) 9, no. 6 (2012): 1361–65. https://doi.org/10.1002/pssc.201100534.
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2012 | Journal Article | LibreCat-ID: 13539
Rode, S., R. Hölscher, S. Sanna, S. Klassen, K. Kobayashi, H. Yamada, Wolf Gero Schmidt, and A. Kühnle. “Atomic-Resolution Imaging of the Polar (0001¯) Surface of LiNbO3in Aqueous Solution by Frequency Modulation Atomic Force Microscopy.” Physical Review B 86, no. 7 (2012). https://doi.org/10.1103/physrevb.86.075468.
LibreCat
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2012 | Journal Article | LibreCat-ID: 13534
Wall, Simone, Boris Krenzer, Stefan Wippermann, Simone Sanna, Friedrich Klasing, Anja Hanisch-Blicharski, Martin Kammler, Wolf Gero Schmidt, and Michael Horn-von Hoegen. “Atomistic Picture of Charge Density Wave Formation at Surfaces.” Physical Review Letters 109, no. 18 (2012). https://doi.org/10.1103/physrevlett.109.186101.
LibreCat
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2012 | Journal Article | LibreCat-ID: 13536
Riefer, Arthur, Simone Sanna, Alexander V. Gavrilenko, and Wolf Gero Schmidt. “Linear and Nonlinear Optical Response of LiNbO3 Calculated from First Principles.” IEEE Transactions on Ultrasonics, Ferroelectrics, and Frequency Control 59, no. 9 (2012): 1929–33. https://doi.org/10.1109/tuffc.2012.2409.
LibreCat
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2012 | Journal Article | LibreCat-ID: 13541
Landmann, M., T. Köhler, S. Köppen, E. Rauls, T. Frauenheim, and Wolf Gero Schmidt. “Fingerprints of Order and Disorder in the Electronic and Optical Properties of Crystalline and Amorphous TiO2.” Physical Review B 86, no. 6 (2012). https://doi.org/10.1103/physrevb.86.064201.
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2012 | Journal Article | LibreCat-ID: 13531
Schmidt, Christian, Tobias Breuer, Stefan Wippermann, Wolf Gero Schmidt, and Gregor Witte. “Substrate Induced Thermal Decomposition of Perfluoro-Pentacene Thin Films on the Coinage Metals.” The Journal of Physical Chemistry C 116 (2012): 24098–106. https://doi.org/10.1021/jp307316r.
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2012 | Journal Article | LibreCat-ID: 13535
Sanna, S., and Wolf Gero Schmidt. “Ferroelectric Phase Transition in LiNbO3: Insights from Molecular Dynamics.” IEEE Transactions on Ultrasonics, Ferroelectrics and Frequency Control 59, no. 9 (2012): 1925–28. https://doi.org/10.1109/tuffc.2012.2408.
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