Please note that LibreCat no longer supports Internet Explorer versions 8 or 9 (or earlier).
We recommend upgrading to the latest Internet Explorer, Google Chrome, or Firefox.
722 Publications
1999 | Book Chapter | LibreCat-ID: 2435
Simon, J., Reinefeld, A., & Heinz, O. (1999). Large-Scale SCI Clusters in Practice: Architecture and Performance in SCI. In H. Hellwagner & A. Reinefeld (Eds.), SCI: Scalable Coherent Interface. Architecture and Software for High-Performance Compute Clusters (Vol. 1734, pp. 367–381). Berlin / Heidelberg: Springer. https://doi.org/10.1007/10704208
LibreCat
| DOI
2002 | Journal Article | LibreCat-ID: 13736
Schmidt, W. G., Bechstedt, F., Lu, W., & Bernholc, J. (2002). Interplay of surface reconstruction and surface electric fields in the optical anisotropy of GaAs(001). Physical Review B, 66, 0855334. https://doi.org/10.1103/physrevb.66.085334
LibreCat
| DOI
2005 | Journal Article | LibreCat-ID: 15849
Schumacher, S., Czycholl, G., Jahnke, F., Kudyk, I., Rückmann, H. I., Gutowski, J., … Hommel, D. (2005). Polariton propagation in shallow-confinement heterostructures: Microscopic theory and experiment showing the breakdown of the dead-layer concept. Physical Review B. https://doi.org/10.1103/physrevb.70.235340
LibreCat
| DOI
2005 | Journal Article | LibreCat-ID: 15850
Schumacher, S., Czycholl, G., Jahnke, F., Kudyk, I., Wischmeier, L., Rückmann, I., … Hommel, D. (2005). Coherent propagation of polaritons in semiconductor heterostructures: Nonlinear pulse transmission in theory and experiment. Physical Review B. https://doi.org/10.1103/physrevb.72.081308
LibreCat
| DOI
2006 | Journal Article | LibreCat-ID: 15848
Schulz, S., Schumacher, S., & Czycholl, G. (2006). Tight-binding model for semiconductor quantum dots with a wurtzite crystal structure: From one-particle properties to Coulomb correlations and optical spectra. Physical Review B. https://doi.org/10.1103/physrevb.73.245327
LibreCat
| DOI
2006 | Journal Article | LibreCat-ID: 13684
Letzig, T., Willig, F., Hahn, P. H., & Schmidt, W. G. (2006). Experimental and theoretical evidence for a hydrogen stabilizedc(2×2)reconstruction of the P-rich InP(001) surface. Physical Review B, 74(24). https://doi.org/10.1103/physrevb.74.245307
LibreCat
| DOI
2006 | Journal Article | LibreCat-ID: 13688
Blankenburg, S., & Schmidt, W. G. (2006). Adsorption of phenylglycine on copper: Density functional calculations. Physical Review B, 74(15). https://doi.org/10.1103/physrevb.74.155419
LibreCat
| DOI
2006 | Journal Article | LibreCat-ID: 13690
Thierfelder, C., Hermann, A., Schwerdtfeger, P., & Schmidt, W. G. (2006). Strongly bonded water monomers on the ice Ih basal plane: Density-functional calculations. Physical Review B, 74(4). https://doi.org/10.1103/physrevb.74.045422
LibreCat
| DOI
2006 | Journal Article | LibreCat-ID: 13691
Biering, S., Hermann, A., & Schmidt, W. G. (2006). Adsorption of water on chlorine-terminated Si(111) from first principles: Substrate-induced ordering versus intermolecular interactions. Physical Review B, 73(23). https://doi.org/10.1103/physrevb.73.235429
LibreCat
| DOI
2007 | Journal Article | LibreCat-ID: 13677
Thierfelder, C., & Schmidt, W. G. (2007). Ethanol adsorbed on ice: A first-principles study. Physical Review B, 76(19). https://doi.org/10.1103/physrevb.76.195426
LibreCat
| DOI
2007 | Journal Article | LibreCat-ID: 13678
Blankenburg, S., & Schmidt, W. G. (2007). Long-Range Chiral Recognition due to Substrate Locking and Substrate-Adsorbate Charge Transfer. Physical Review Letters, 99(19). https://doi.org/10.1103/physrevlett.99.196107
LibreCat
| DOI
2007 | Journal Article | LibreCat-ID: 13680
Blankenburg, S., & Schmidt, W. G. (2007). Steric effects and chirality in the adsorption of glycine and phenylglycine on Cu(110). Nanotechnology, 18. https://doi.org/10.1088/0957-4484/18/42/424030
LibreCat
| DOI
2007 | Journal Article | LibreCat-ID: 13681
Wippermann, S., Schmidt, W. G., Calzolari, A., Nardelli, M. B., Stekolnikov, A. A., Seino, K., & Bechstedt, F. (2007). Quantum conductance of In nanowires on Si(111) from first principles calculations. Surface Science, 4045–4047. https://doi.org/10.1016/j.susc.2007.04.053
LibreCat
| DOI
2007 | Journal Article | LibreCat-ID: 13683
Stekolnikov, A. A., Seino, K., Bechstedt, F., Wippermann, S., Schmidt, W. G., Calzolari, A., & Nardelli, M. B. (2007). Hexagon versus Trimer Formation in In Nanowires on Si(111): Energetics and Quantum Conductance. Physical Review Letters, 98(2). https://doi.org/10.1103/physrevlett.98.026105
LibreCat
| DOI
2008 | Journal Article | LibreCat-ID: 13663
Wippermann, S., & Schmidt, W. G. (2008). Optical anisotropy of the In/Si(111)(4×1)/(8×2) nanowire array. Surface Science, 603, 247–250. https://doi.org/10.1016/j.susc.2008.11.013
LibreCat
| DOI
2008 | Journal Article | LibreCat-ID: 13666
Wippermann, S., & Schmidt, W. G. (2008). Water adsorption on clean Ni(111) and p(2×2)-Ni(111)-O surfaces calculated from first principles. Physical Review B, 78(23). https://doi.org/10.1103/physrevb.78.235439
LibreCat
| DOI
2008 | Journal Article | LibreCat-ID: 13667
Blankenburg, S., & Schmidt, W. G. (2008). Spatial modulation of molecular adsorption energies due to indirect interaction. Physical Review B, 78. https://doi.org/10.1103/physrevb.78.233411
LibreCat
| DOI
2008 | Journal Article | LibreCat-ID: 13668
Rauls, E., & Schmidt, W. G. (2008). Influence of the Side Group Aromaticity on the Organic Molecule Adsorption on Cu(110). Journal of Physical Chemistry C, 112, 11490–11494. https://doi.org/10.1021/jp8037297
LibreCat
| DOI
2008 | Journal Article | LibreCat-ID: 13669
Rauls, E., Dijkstra, S. J., & Schmidt, W. G. (2008). Atomic structure and energetics of thec-GaN(001) surface. Physical Review B, 78(11). https://doi.org/10.1103/physrevb.78.113302
LibreCat
| DOI
2008 | Journal Article | LibreCat-ID: 13670
Rauls, E., Blankenburg, S., & Schmidt, W. G. (2008). DFT calculations of adenine adsorption on coin metal (110) surfaces. Surface Science, 602, 2170–2174. https://doi.org/10.1016/j.susc.2008.04.029
LibreCat
| DOI
2008 | Journal Article | LibreCat-ID: 13671
Hermann, A., Schmidt, W. G., & Schwerdtfeger, P. (2008). Resolving the Optical Spectrum of Water: Coordination and Electrostatic Effects. Physical Review Letters, 100(20). https://doi.org/10.1103/physrevlett.100.207403
LibreCat
| DOI
2008 | Journal Article | LibreCat-ID: 13672
Hermann, A., Schwerdtfeger, P., & Schmidt, W. G. (2008). Theoretical study of the localization of excess electrons at the surface of ice. Journal of Physics: Condensed Matter, 20. https://doi.org/10.1088/0953-8984/20/22/225003
LibreCat
| DOI
2008 | Journal Article | LibreCat-ID: 13674
Wippermann, S., Koch, N., & Schmidt, W. G. (2008). Adatom-Induced Conductance Modification of In Nanowires: Potential-Well Scattering and Structural Effects. Physical Review Letters, 100(10). https://doi.org/10.1103/physrevlett.100.106802
LibreCat
| DOI
2008 | Journal Article | LibreCat-ID: 13675
Lange, B., & Schmidt, W. G. (2008). Ammonia adsorption on Cl/Si(001): First-principles calculations. Surface Science, 602, 1207–1211. https://doi.org/10.1016/j.susc.2008.01.024
LibreCat
| DOI
2008 | Journal Article | LibreCat-ID: 13676
Schmidt, W. G., Albrecht, M., Wippermann, S., Blankenburg, S., Rauls, E., Fuchs, F., … Hermann, A. (2008). LiNbO3ground- and excited-state properties from first-principles calculations. Physical Review B, 77. https://doi.org/10.1103/physrevb.77.035106
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 15847
Kwong, N. H., Schumacher, S., & Binder, R. (2009). Electron-Spin Beat Susceptibility of Excitons in Semiconductor Quantum Wells. Physical Review Letters. https://doi.org/10.1103/physrevlett.103.056405
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13576
Blankenburg, S., Rauls, E., & Schmidt, W. G. (2009). The physics of highly ordered molecular rows. Physica Status Solidi (C), 153–156. https://doi.org/10.1002/pssc.200982459
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13577
Blankenburg, S., Rauls, E., & Schmidt, W. G. (2009). The physics of highly ordered molecular rows. Physica Status Solidi (C), 7(2), 153–156. https://doi.org/10.1002/pssc.200982459
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13578
Sanna, S., Gavrilenko, A. V., & Schmidt, W. G. (2009). Ab initioinvestigation of the LiNbO3(0001) surface. Physica Status Solidi (C), 145–148. https://doi.org/10.1002/pssc.200982456
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13579
Sanna, S., Gavrilenko, A. V., & Schmidt, W. G. (2009). Ab initioinvestigation of the LiNbO3(0001) surface. Physica Status Solidi (C), 7(2), 145–148. https://doi.org/10.1002/pssc.200982456
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13580
Wippermann, S., Schmidt, W. G., Thissen, P., & Grundmeier, G. (2009). Dissociative and molecular adsorption of water onα-Al2O3(0001). Physica Status Solidi (C), 7(2), 137–140. https://doi.org/10.1002/pssc.200982423
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13583
Scholle, A., Greulich-Weber, S., Rauls, E., Schmidt, W. G., & Gerstmann, U. (2009). Vacancy clusters created via room temperature irradiation in 6H-SiC. Physica B: Condensed Matter, 404, 4742–4744. https://doi.org/10.1016/j.physb.2009.08.123
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13655
Thissen, P., Grundmeier, G., Wippermann, S., & Schmidt, W. G. (2009). Water adsorption on the α-Al2O3(0001) surface. Physical Review B, 80(24). https://doi.org/10.1103/physrevb.80.245403
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13657
Sanna, S., Schmidt, W. G., Frauenheim, T., & Gerstmann, U. (2009). Rare-earth defect pairs in GaN: LDA+U calculations. Physical Review B, 80(10). https://doi.org/10.1103/physrevb.80.104120
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13659
Blankenburg, S., Rauls, E., & Schmidt, W. G. (2009). Role of Dihydrogen Bonds for the Stabilization of Self-Assembled Molecular Nanostructures. The Journal of Physical Chemistry C, 113, 12653–12657. https://doi.org/10.1021/jp902337p
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13660
Chandola, S., Hinrichs, K., Gensch, M., Esser, N., Wippermann, S., Schmidt, W. G., … McGilp, J. F. (2009). Structure of Si(111)-In Nanowires Determined from the Midinfrared Optical Response. Physical Review Letters, 102(22). https://doi.org/10.1103/physrevlett.102.226805
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13662
Blankenburg, S., & Schmidt, W. G. (2009). Glutamic acid adsorbed on Ag(110): direct and indirect molecular interactions. Journal of Physics: Condensed Matter, 21. https://doi.org/10.1088/0953-8984/21/18/185001
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13664
Lange, B., Posner, R., Pohl, K., Thierfelder, C., Grundmeier, G., Blankenburg, S., & Schmidt, W. G. (2009). Water adsorption on hydrogenated Si(111) surfaces. Surface Science, 603, 60–64. https://doi.org/10.1016/j.susc.2008.10.030
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13665
Landmann, M., Rauls, E., & Schmidt, W. G. (2009). First-principles calculations of clean Au(110) surfaces and chemisorption of atomic oxygen. Physical Review B, 79(4). https://doi.org/10.1103/physrevb.79.045412
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13802
Giannozzi, P., Baroni, S., Bonini, N., Calandra, M., Car, R., Cavazzoni, C., … Wentzcovitch, R. M. (2009). QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials. Journal of Physics: Condensed Matter, 21(39). https://doi.org/10.1088/0953-8984/21/39/395502
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 15846
Schumacher, S., Galbraith, I., Ruseckas, A., Turnbull, G. A., & Samuel, I. D. W. (2010). Dynamics of photoexcitation and stimulated optical emission in conjugated polymers: A multiscale quantum-chemistry and Maxwell-Bloch-equations approach. Physical Review B. https://doi.org/10.1103/physrevb.81.245407
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13573
Thierfelder, C., Sanna, S., Schindlmayr, A., & Schmidt, W. G. (2010). Do we know the band gap of lithium niobate? Physica Status Solidi C, 7(2), 362–365. https://doi.org/10.1002/pssc.200982473
LibreCat
| Files available
| DOI
| WoS
2010 | Journal Article | LibreCat-ID: 13574
Gerstmann, U., Rohrmüller, M., Mauri, F., & Schmidt, W. G. (2010). Ab initiog-tensor calculation for paramagnetic surface states: hydrogen adsorption at Si surfaces. Physica Status Solidi (C), 7(2), 157–160. https://doi.org/10.1002/pssc.200982462
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13581
Wippermann, S., Schmidt, W. G., Bechstedt, F., Chandola, S., Hinrichs, K., Gensch, M., … McGilp, J. F. (2010). Optical anisotropy of Si(111)-(4 × 1)/(8 × 2)-In nanowires calculated fromfirst-principles. Physica Status Solidi (C), 7(2), 133–136. https://doi.org/10.1002/pssc.200982413
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13826
Blankenburg, S., Rauls, E., & Schmidt, W. G. (2010). Catalytic Action of a Cu(111) Surface on Tetraazaperopyrene Polymerization. The Journal of Physical Chemistry Letters, 1, 3266–3270. https://doi.org/10.1021/jz101389u
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13827
Wippermann, S., & Schmidt, W. G. (2010). Entropy Explains Metal-Insulator Transition of the Si(111)-In Nanowire Array. Physical Review Letters, 105(12). https://doi.org/10.1103/physrevlett.105.126102
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13829
Krivosheeva, A. V., Sanna, S., & Schmidt, W. G. (2010). First-principles investigation of CO adsorption on Pt/Ge(001)-(4×2). Computational Materials Science, 49(4), 895–898. https://doi.org/10.1016/j.commatsci.2010.06.043
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13830
Rauls, E., Wiebe, J., & Schmidt, W. G. (2010). Understanding the cubic AlN growth plane from first principles. Journal of Crystal Growth, 312, 2892–2895. https://doi.org/10.1016/j.jcrysgro.2010.07.027
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13832
Thierfelder, C., & Schmidt, W. G. (2010). First-principles study of water adsorption and a high-density interfacial ice structure on(1×1)-O/Rh(111). Physical Review B, 82(11). https://doi.org/10.1103/physrevb.82.115402
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13833
Sanna, S., & Schmidt, W. G. (2010). Lithium niobateX-cut,Y-cut, andZ-cut surfaces fromab initiotheory. Physical Review B, 81(21). https://doi.org/10.1103/physrevb.81.214116
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13834
Sanna, S., & Schmidt, W. G. (2010). GaN/LiNbO3 (0001) interface formation calculated from first-principles. Applied Surface Science, 256, 5740–5743. https://doi.org/10.1016/j.apsusc.2010.03.098
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13836
Rauls, E., Blankenburg, S., & Schmidt, W. G. (2010). Chemical reactivity on surfaces: Modeling the imide synthesis from DATP and PTCDA on Au(111). Physical Review B, 81(12). https://doi.org/10.1103/physrevb.81.125401
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13838
Sanna, S., & Schmidt, W. G. (2010). GaN growth on LiNbO3 (0001) - a first-principles simulation. Physica Status Solidi (C), 7(7–8), 2272–2274. https://doi.org/10.1002/pssc.200983649
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13839
Blankenburg, S., & Schmidt, W. G. (2010). Temperature dependent stability of self-assembled molecular rows. Physica Status Solidi (C), 7(2), 415–417. https://doi.org/10.1002/pssc.200982460
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13841
Blankenburg, S., Rauls, E., & Schmidt, W. G. (2010). The physics of highly ordered molecular rows. Physica Status Solidi (C), 7(2), 153–156. https://doi.org/10.1002/pssc.200982459
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13842
Sanna, S., Gavrilenko, A. V., & Schmidt, W. G. (2010). Ab initio investigation of the LiNbO3(0001) surface. Physica Status Solidi (C), 7(2), 145–148. https://doi.org/10.1002/pssc.200982456
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13843
Wippermann, S., Schmidt, W. G., Thissen, P., & Grundmeier, G. (2010). Dissociative and molecular adsorption of water onα-Al2O3(0001). Physica Status Solidi (C), 7(2), 137–140. https://doi.org/10.1002/pssc.200982423
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 4169
Priyadarshi, S., Racu, A. M., Pierz, K., Siegner, U., Bieler, M., Duc, H. T., Förstner, J., & Meier, T. (2010). Reversal of Coherently Controlled Ultrafast Photocurrents by Band Mixing in Undoped GaAs Quantum Wells. Physical Review Letters, 104(21), Article 217401. https://doi.org/10.1103/physrevlett.104.217401
LibreCat
| Files available
| DOI
2010 | Journal Article | LibreCat-ID: 4172 | 
Piegdon, K. A., Declair, S., Förstner, J., Meier, T., Matthias, H., Urbanski, M., Kitzerow, H.-S., Reuter, D., Wieck, A. D., Lorke, A., & Meier, C. (2010). Tuning quantum-dot based photonic devices with liquid crystals. Optics Express, 18(8), Article 7946. https://doi.org/10.1364/oe.18.007946
LibreCat
| Files available
| DOI
2011 | Journal Article | LibreCat-ID: 13563
Schmidt, W. G., Babilon, M., Thierfelder, C., Sanna, S., & Wippermann, S. (2011). Influence of Na adsorption on the quantum conductance and metal-insulator transition of the In-Si(111)(4×1)–(8×2) nanowire array. Physical Review B, 84(11). https://doi.org/10.1103/physrevb.84.115416
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 13564
dos Santos, L. S., Schmidt, W. G., & Rauls, E. (2011). Group-VII point defects in ZnSe. Physical Review B, 84(11). https://doi.org/10.1103/physrevb.84.115201
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 13565
Müllegger, S., Schöfberger, W., Rashidi, M., Lengauer, T., Klappenberger, F., Diller, K., … Koch, R. (2011). Preserving Charge and Oxidation State of Au(III) Ions in an Agent-Functionalized Nanocrystal Model System. ACS Nano, 5(8), 6480–6486. https://doi.org/10.1021/nn201708c
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 13568
Mietze, C., Landmann, M., Rauls, E., Machhadani, H., Sakr, S., Tchernycheva, M., … As, D. J. (2011). Band offsets in cubic GaN/AlN superlattices. Physical Review B, 83(19). https://doi.org/10.1103/physrevb.83.195301
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 13570
Müllegger, S., Rashidi, M., Lengauer, T., Rauls, E., Schmidt, W. G., Knör, G., … Koch, R. (2011). Asymmetric saddling of single porphyrin molecules on Au(111). Physical Review B, 83(16). https://doi.org/10.1103/physrevb.83.165416
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 13571
Thierfelder, C., Witte, M., Blankenburg, S., Rauls, E., & Schmidt, W. G. (2011). Methane adsorption on graphene from first principles including dispersion interaction. Surface Science, 605, 746–749. https://doi.org/10.1016/j.susc.2011.01.012
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 13823
Sanna, S., Berth, G., Hahn, W., Widhalm, A., Zrenner, A., & Schmidt, W. G. (2011). Vibrational properties of the LiNbO3 z-surfaces. IEEE Transactions on Ultrasonics, Ferroelectrics and Frequency Control, 58(9), 1751–1756. https://doi.org/10.1109/tuffc.2011.2012
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 13825
Sanna, S., Thierfelder, C., Wippermann, S., Sinha, T. P., & Schmidt, W. G. (2011). Barium titanate ground- and excited-state properties from first-principles calculations. Physical Review B, 83(5). https://doi.org/10.1103/physrevb.83.054112
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 4543
Sanna, S., Berth, G., Hahn, W., Widhalm, A., Zrenner, A., & Schmidt, W. G. (2011). Localised Phonon Modes at LiNbO3(0001) Surfaces. Ferroelectrics, 419(1), 1–8. https://doi.org/10.1080/00150193.2011.594396
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 15869
Wiebeler, C., Tautz, R., Feldmann, J., von Hauff, E., Da Como, E., & Schumacher, S. (2012). Spectral Signatures of Polarons in Conjugated Co-polymers. The Journal of Physical Chemistry B, 4454–4460. https://doi.org/10.1021/jp3084869
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 15872
Montgomery, N. A., Hedley, G. J., Ruseckas, A., Denis, J.-C., Schumacher, S., Kanibolotsky, A. L., … Samuel, I. D. W. (2012). Dynamics of fluorescence depolarisation in star-shaped oligofluorene-truxene molecules. Physical Chemistry Chemical Physics. https://doi.org/10.1039/c2cp24141b
LibreCat
| DOI
2012 | Conference Paper | LibreCat-ID: 15985
Reuter, C., Frantz, M., Lauter, C., Block, H., & Tröster, T. (2012). Simulation and testing of hybrid structures consisting of press-hardened steel and CFRP. Presented at the 1st International Conference on Mechanics of Nano, Micro and Macro Composite Structures (ICNMMCS), Turin, Italy.
LibreCat
2012 | Conference Paper | LibreCat-ID: 15987
Lauter, C., Frantz, M., Kohler, J. P., & Tröster, T. (2012). Crash tests of hybrid structures consisting of sheet metal and local CFRP reinforcements. Presented at the 15th European Conference on Composite Materials (ECCM15), Venice, Italy.
LibreCat
2012 | Journal Article | LibreCat-ID: 13531
Schmidt, C., Breuer, T., Wippermann, S., Schmidt, W. G., & Witte, G. (2012). Substrate Induced Thermal Decomposition of Perfluoro-Pentacene Thin Films on the Coinage Metals. The Journal of Physical Chemistry C, 116, 24098–24106. https://doi.org/10.1021/jp307316r
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13534
Wall, S., Krenzer, B., Wippermann, S., Sanna, S., Klasing, F., Hanisch-Blicharski, A., … Horn-von Hoegen, M. (2012). Atomistic Picture of Charge Density Wave Formation at Surfaces. Physical Review Letters, 109(18). https://doi.org/10.1103/physrevlett.109.186101
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13535
Sanna, S., & Schmidt, W. G. (2012). Ferroelectric phase transition in LiNbO3: Insights from molecular dynamics. IEEE Transactions on Ultrasonics, Ferroelectrics and Frequency Control, 59(9), 1925–1928. https://doi.org/10.1109/tuffc.2012.2408
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13536
Riefer, A., Sanna, S., Gavrilenko, A. V., & Schmidt, W. G. (2012). Linear and nonlinear optical response of LiNbO3 calculated from first principles. IEEE Transactions on Ultrasonics, Ferroelectrics, and Frequency Control, 59(9), 1929–1933. https://doi.org/10.1109/tuffc.2012.2409
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13538
Riefer, A., Sanna, S., & Schmidt, W. G. (2012). Polarization-dependent methanol adsorption on lithium niobate Z-cut surfaces. Physical Review B, 86(12). https://doi.org/10.1103/physrevb.86.125410
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13539
Rode, S., Hölscher, R., Sanna, S., Klassen, S., Kobayashi, K., Yamada, H., … Kühnle, A. (2012). Atomic-resolution imaging of the polar (0001¯) surface of LiNbO3in aqueous solution by frequency modulation atomic force microscopy. Physical Review B, 86(7). https://doi.org/10.1103/physrevb.86.075468
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13541
Landmann, M., Köhler, T., Köppen, S., Rauls, E., Frauenheim, T., & Schmidt, W. G. (2012). Fingerprints of order and disorder in the electronic and optical properties of crystalline and amorphous TiO2. Physical Review B, 86(6). https://doi.org/10.1103/physrevb.86.064201
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13543
Rauls, E., Schmidt, W. G., Pertram, T., & Wandelt, K. (2012). Interplay between metal-free phthalocyanine molecules and Au(110) substrates. Surface Science, 606, 1120–1125. https://doi.org/10.1016/j.susc.2012.03.010
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13545
Landmann, M., Rauls, E., & Schmidt, W. G. (2012). The electronic structure and optical response of rutile, anatase and brookite TiO2. Journal of Physics: Condensed Matter, 24. https://doi.org/10.1088/0953-8984/24/19/195503
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13546
Riefer, A., Rauls, E., Schmidt, W. G., Eberhard, J., Stoll, I., & Mattay, J. (2012). 2-Aminopyrimidine-silver(I) based organic semiconductors: Electronic structure and optical response. Physical Review B, 85(16). https://doi.org/10.1103/physrevb.85.165202
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13548
Thissen, P., Thissen, V., Wippermann, S., Chabal, Y. J., Grundmeier, G., & Schmidt, W. G. (2012). pH-dependent structure and energetics of H2O/MgO(100). Surface Science, 606, 902–907. https://doi.org/10.1016/j.susc.2012.01.018
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13560
Hölscher, R., Sanna, S., & Schmidt, W. G. (2012). Adsorption of OH and H at the LiNbO3(0001) surface. Physica Status Solidi (C), 9(6), 1361–1365. https://doi.org/10.1002/pssc.201100534
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13820
Schmidt, W. G., Wippermann, S., Sanna, S., Babilon, M., Vollmers, N. J., & Gerstmann, U. (2012). In-Si(111)(4 × 1)/(8 × 2) nanowires: Electron transport, entropy, and metal-insulator transition. Physica Status Solidi (B), 249(2), 343–359. https://doi.org/10.1002/pssb.201100457
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 3974 |
Schumacher, S., Förstner, J., Zrenner, A., Florian, M., Gies, C., Gartner, P., & Jahnke, F. (2012). Cavity-assisted emission of polarization-entangled photons from biexcitons in quantum dots with fine-structure splitting. Optics Express, 20(5), 5335–5342. https://doi.org/10.1364/oe.20.005335
LibreCat
| Files available
| DOI
2012 | Journal Article | LibreCat-ID: 22953
Reichelt, M., Walther, A., & Meier, T. (2012). Tailoring the high-harmonic emission in two-level systems and semiconductors by pulse shaping. Journal of the Optical Society of America B, 29(2), Article A36. https://doi.org/10.1364/josab.29.000a36
LibreCat
| DOI
2012 | Conference Paper | LibreCat-ID: 15986
Gorny, B., Hankeln, F., Lauter, C., Schmidt, H. C., Damerow, U., Mahnken, R., Maier, H. J., Tröster, T., & Homberg, W. (2012). Simulation and manufacturing of deep drawn parts reinforced by carbon fibre prepregs. 1st International Conference on Mechanics of Nano, Micro and Macro Composite Structures (ICNMMCS), Turin, Italy.
LibreCat
2013 | Book Chapter | LibreCat-ID: 18475
Riefer, A., Rohrmüller, M., Landmann, M., Sanna, S., Rauls, E., Vollmers, N. J., … Schmidt, W. G. (2013). Lithium niobate dielectric function and second-order polarizability tensor from massively parallel ab initio calculations. In W. E. Nagel, D. H. Kröner, & M. M. Resch (Eds.), High Performance Computing in Science and Engineering ‘13 (pp. 93–104). Cham: Springer. https://doi.org/10.1007/978-3-319-02165-2_8
LibreCat
| Files available
| DOI
| WoS
2013 | Journal Article | LibreCat-ID: 15866
Ardizzone, V., Lewandowski, P., Luk, M. H., Tse, Y. C., Kwong, N. H., Lücke, A., … Schumacher, S. (2013). Formation and control of Turing patterns in a coherent quantum fluid. Scientific Reports. https://doi.org/10.1038/srep03016
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 15867
Tautz, R., Da Como, E., Wiebeler, C., Soavi, G., Dumsch, I., Fröhlich, N., … Feldmann, J. (2013). Charge Photogeneration in Donor–Acceptor Conjugated Materials: Influence of Excess Excitation Energy and Chain Length. Journal of the American Chemical Society, 4282–4290. https://doi.org/10.1021/ja309252a
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 15868
Luk, M. H., Tse, Y. C., Kwong, N. H., Leung, P. T., Lewandowski, P., Binder, R., & Schumacher, S. (2013). Transverse optical instability patterns in semiconductor microcavities: Polariton scattering and low-intensity all-optical switching. Physical Review B. https://doi.org/10.1103/physrevb.87.205307
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 15870
Ling, S., Schumacher, S., Galbraith, I., & Paterson, M. J. (2013). Excited-State Absorption of Conjugated Polymers in the Near-Infrared and Visible: A Computational Study of Oligofluorenes. The Journal of Physical Chemistry C, 6889–6895. https://doi.org/10.1021/jp401359a
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 13517
Jesser, A., Rohrmüller, M., Schmidt, W. G., & Herres-Pawlis, S. (2013). Geometrical and optical benchmarking of copper guanidine-quinoline complexes: Insights from TD-DFT and many-body perturbation theory†. Journal of Computational Chemistry, 35(1–2), 1–17. https://doi.org/10.1002/jcc.23449
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 13519
Riefer, A., Sanna, S., & Schmidt, W. G. (2013). LiNb1-xTaxO3Electronic Structure and Optical Response fromFirst-PrinciplesCalculations. Ferroelectrics, 447, 78–85. https://doi.org/10.1080/00150193.2013.821904
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 13521
Sanna, S., Rode, S., Hölscher, R., Klassen, S., Marutschke, C., Kobayashi, K., … Kühnle, A. (2013). Charge compensation by long-period reconstruction in strongly polar lithium niobate surfaces. Physical Review B, 88. https://doi.org/10.1103/physrevb.88.115422
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 13522
Aldahhak, H., Schmidt, W. G., & Rauls, E. (2013). Adsorption of PTCDA on NaCl(100) and KCl(100). Surface Science, 617, 242–248. https://doi.org/10.1016/j.susc.2013.08.003
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 13525 |
Riefer, A., Sanna, S., Schindlmayr, A., & Schmidt, W. G. (2013). Optical response of stoichiometric and congruent lithium niobate from first-principles calculations. Physical Review B, 87(19). https://doi.org/10.1103/PhysRevB.87.195208
LibreCat
| Files available
| DOI
| WoS
2013 | Journal Article | LibreCat-ID: 13527
Rohrmüller, M., Herres-Pawlis, S., Witte, M., & Schmidt, W. G. (2013). 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, 1035–1045. https://doi.org/10.1002/jcc.23230
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 13528
George, B. M., Behrends, J., Schnegg, A., Schulze, T. F., Fehr, M., Korte, L., … Gerstmann, U. (2013). Atomic Structure of Interface States in Silicon Heterojunction Solar Cells. Physical Review Letters, 110(13). https://doi.org/10.1103/physrevlett.110.136803
LibreCat
| DOI