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347 Publications
2015 | Journal Article | LibreCat-ID: 13494
Aldahhak, Hazem, et al. “Single PTCDA Molecules on Planar and Stepped KCl and NaCl(100) Surfaces.” Surface Science, 2015, pp. 278–81, doi:10.1016/j.susc.2015.01.013.
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 13495
Aldahhak, Hazem, et al. “Diindenoperylene Adsorption on Cu(111) Studied with Density-Functional Theory.” Surface Science, 2015, pp. 260–65, doi:10.1016/j.susc.2015.03.007.
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| DOI
2015 | Journal Article | LibreCat-ID: 13496
Edler, F., et al. “Interwire Coupling ForIn(4×1)/Si(111) Probed by Surface Transport.” Physical Review B, vol. 92, no. 8, 2015, doi:10.1103/physrevb.92.085426.
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| DOI
2015 | Journal Article | LibreCat-ID: 13497
Baghbanpourasl, Amirreza, et al. “Water Adsorbate Influence on the Cu(110) Surface Optical Response.” Surface Science, vol. 641, 2015, pp. 231–36, doi:10.1016/j.susc.2015.07.020.
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| DOI
2015 | Journal Article | LibreCat-ID: 13498
Rohrmüller, Martin, et al. “The Cu2O2torture Track for a Real-Life System: [Cu2(Btmgp)2O2]2+oxo and Peroxo Species in Density Functional Calculations†.” Journal of Computational Chemistry, vol. 36, no. 21–22, 2015, pp. 1672–85, doi:10.1002/jcc.23983.
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| DOI
2015 | Journal Article | LibreCat-ID: 13499
Thissen, Peter, et al. “Nanopatterning on H-Terminated Si(111) Explained as Dynamic Equilibrium of the Chemical Reaction with Methanol.” The Journal of Physical Chemistry C, vol. 119, 2015, pp. 16947–53, doi:10.1021/acs.jpcc.5b03816.
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| DOI
2015 | Journal Article | LibreCat-ID: 13500
Lücke, A., et al. “Influence of Structural Defects and Oxidation onto Hole Conductivity in P3HT.” The Journal of Physical Chemistry B, vol. 119, 2015, pp. 6481–91, doi:10.1021/acs.jpcb.5b03615.
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| DOI
2015 | Journal Article | LibreCat-ID: 13502
Klein, C., et al. “Barrier-Free Subsurface Incorporation of 3d Metal Atoms into Bi(111) Films.” Physical Review B, vol. 91, no. 19, 2015, doi:10.1103/physrevb.91.195441.
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| DOI
2015 | Journal Article | LibreCat-ID: 13503
Aldahhak, Hazem, et al. “Structure Formation in Diindenoperylene Thin Films on Copper(111).” Physical Chemistry Chemical Physics, vol. 17, 2015, pp. 8776–83, doi:10.1039/c4cp05271d.
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| DOI
2015 | Journal Article | LibreCat-ID: 13504
Sanna, S., et al. “Modeling Atomic Force Microscopy at LiNbO 3 Surfaces from First-Principles.” Computational Materials Science, vol. 103, 2015, pp. 145–50, doi:10.1016/j.commatsci.2015.03.025.
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| DOI
2015 | Journal Article | LibreCat-ID: 13505
Aldahhak, Hazem, et al. “Structure Formation in Diindenoperylene Thin Films on Copper(111).” Physical Chemistry Chemical Physics, vol. 17, 2015, pp. 8776–83, doi:10.1039/c4cp05271d.
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 13506
Sanson, A., et al. “Polaronic Deformation at TheFe2+/3+impurity Site InFe:LiNbO3crystals.” Physical Review B, vol. 91, 2015, doi:10.1103/physrevb.91.094109.
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| DOI
2015 | Journal Article | LibreCat-ID: 13507
Landmann, M., et al. “GaNm-Plane: Atomic Structure, Surface Bands, and Optical Response.” Physical Review B, vol. 91, 2015, doi:10.1103/physrevb.91.035302.
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| DOI
2015 | Journal Article | LibreCat-ID: 13818
Neuba, Adam, et al. “A Panel of Peralkylated Sulfur–Guanidine Type Bases: Novel pro-Ligands for Use in Biomimetic Coordination Chemistry.” Inorganica Chimica Acta, vol. 430, 2015, pp. 225–38, doi:10.1016/j.ica.2015.03.015.
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| DOI
2015 | Journal Article | LibreCat-ID: 22947
Oreshnikov, I., et al. “Interaction of High-Order Solitons with External Dispersive Waves.” Optics Letters, 5554, 2015, doi:10.1364/ol.40.005554.
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 10036
Hölscher, Rebecca, et al. “Modeling LiNbO3 Surfaces at Ambient Conditions.” The Journal of Physical Chemistry C, 2014, pp. 10213–20, doi:10.1021/jp502936f.
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| DOI
2014 | Journal Article | LibreCat-ID: 13508
Guo, Q., et al. “Adsorption of PTCDA on Terraces and at Steps Sites of the KCl(100) Surface.” The Journal of Physical Chemistry C, vol. 118, 2014, pp. 29911–18, doi:10.1021/jp509663s.
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| DOI
2014 | Journal Article | LibreCat-ID: 13509
Oh, Deok Mahn, et al. “Oxygen Adsorbates on the Si(111)4×1-In Metallic Atomic Wire: Scanning Tunneling Microscopy and Density-Functional Theory Calculations.” Physical Review B, vol. 90, no. 15, 2014, doi:10.1103/physrevb.90.155432.
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| DOI
2014 | Journal Article | LibreCat-ID: 13510
Hoffmann, Alexander, et al. “Geometrical and Optical Benchmarking of Copper(II) Guanidine-Quinoline Complexes: Insights from TD-DFT and Many-Body Perturbation Theory (Part II).” Journal of Computational Chemistry, vol. 35, no. 29–30, 2014, pp. 2146–61, doi:10.1002/jcc.23740.
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| DOI
2014 | Journal Article | LibreCat-ID: 13511
Landmann, M., et al. “The Atomic Structure of Ternary Amorphous TixSi1−xO2hybrid Oxides.” Journal of Physics: Condensed Matter, vol. 26, 253201, 2014, doi:10.1088/0953-8984/26/25/253201.
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| DOI
2014 | Journal Article | LibreCat-ID: 13512
Sanna, Simone, et al. “Formation of Hydroxyl Groups at Calcium-Silicate-Hydrate (C-S-H): Coexistence of Ca–OH and Si–OH on Wollastonite(001).” The Journal of Physical Chemistry C, vol. 118, 2014, pp. 8007–13, doi:10.1021/jp500170t.
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| DOI
2014 | Journal Article | LibreCat-ID: 13513
Gerstmann, Uwe, et al. “Rashba Splitting and Relativistic Energy Shifts in In/Si(111) Nanowires.” Physical Review B, vol. 89, no. 16, 2014, doi:10.1103/physrevb.89.165431.
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| DOI
2014 | Journal Article | LibreCat-ID: 13514
Li, Yanlu, et al. “IntrinsicLiNbO3point Defects from Hybrid Density Functional Calculations.” Physical Review B, vol. 89, no. 9, 2014, doi:10.1103/physrevb.89.094111.
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| DOI
2014 | Journal Article | LibreCat-ID: 13515
Sanna, S., et al. “Temperature Dependent LiNbO3(0001): Surface Reconstruction and Surface Charge.” Applied Surface Science, 2014, pp. 70–78, doi:10.1016/j.apsusc.2014.01.104.
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| DOI
2014 | Journal Article | LibreCat-ID: 13516
Sanna, S., et al. “Unraveling TheLiNbO3X-Cut Surface by Atomic Force Microscopy and Density Functional Theory.” Physical Review B, vol. 89, no. 7, 2014, doi:10.1103/physrevb.89.075403.
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| DOI
2013 | Book Chapter | LibreCat-ID: 18475
Riefer, Arthur, et al. “Lithium Niobate Dielectric Function and Second-Order Polarizability Tensor from Massively Parallel Ab Initio Calculations.” High Performance Computing in Science and Engineering ‘13, edited by Wolfgang E. Nagel et al., Springer, 2013, pp. 93–104, doi:10.1007/978-3-319-02165-2_8.
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2013 | Journal Article | LibreCat-ID: 13517
Jesser, Anton, et al. “Geometrical and Optical Benchmarking of Copper Guanidine-Quinoline Complexes: Insights from TD-DFT and Many-Body Perturbation Theory†.” Journal of Computational Chemistry, vol. 35, no. 1–2, 2013, pp. 1–17, doi:10.1002/jcc.23449.
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 13518
Frigge, T., et al. “Friggeet Al.Reply:” Physical Review Letters, vol. 111, 2013, p. 149602, doi:10.1103/physrevlett.111.149602.
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| DOI
2013 | Journal Article | LibreCat-ID: 13519
Riefer, A., et al. “LiNb1-XTaxO3Electronic Structure and Optical Response FromFirst-PrinciplesCalculations.” Ferroelectrics, vol. 447, 2013, pp. 78–85, doi:10.1080/00150193.2013.821904.
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 13521
Sanna, S., et al. “Charge Compensation by Long-Period Reconstruction in Strongly Polar Lithium Niobate Surfaces.” Physical Review B, vol. 88, 2013, doi:10.1103/physrevb.88.115422.
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 13522
Aldahhak, Hazem, et al. “Adsorption of PTCDA on NaCl(100) and KCl(100).” Surface Science, vol. 617, 2013, pp. 242–48, doi:10.1016/j.susc.2013.08.003.
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 13523
Longo, Roberto C., et al. “Monolayer Doping via Phosphonic Acid Grafting on Silicon: Microscopic Insight from Infrared Spectroscopy and Density Functional Theory Calculations.” Advanced Functional Materials, vol. 23, 2013, pp. 3471–77, doi:10.1002/adfm.201202808.
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 13525 | 
Riefer, Arthur, et al. “Optical Response of Stoichiometric and Congruent Lithium Niobate from First-Principles Calculations.” Physical Review B, vol. 87, no. 19, 195208, American Physical Society, 2013, doi:10.1103/PhysRevB.87.195208.
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2013 | Journal Article | LibreCat-ID: 13526
Eberhard, Jens, et al. “Structural Variety of 5-Fluoroarene-2-Aminopyrimidine in Comparison to 2-Aminopyrimidine Silver(i) Coordination Polymers: Progress Report and Overview.” CrystEngComm, vol. 15, no. 21, 4225, 2013, doi:10.1039/c2ce26388b.
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| DOI
2013 | Journal Article | LibreCat-ID: 13527
Rohrmüller, M., et al. “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, vol. 34, 2013, pp. 1035–45, doi:10.1002/jcc.23230.
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| DOI
2013 | Journal Article | LibreCat-ID: 13528
George, B. M., et al. “Atomic Structure of Interface States in Silicon Heterojunction Solar Cells.” Physical Review Letters, vol. 110, no. 13, 2013, doi:10.1103/physrevlett.110.136803.
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| DOI
2013 | Journal Article | LibreCat-ID: 13819
Riefer, A., et al. “LiNb1-XTaxO3Electronic Structure and Optical Response FromFirst-PrinciplesCalculations.” Ferroelectrics, vol. 447, 2013, pp. 78–85, doi:10.1080/00150193.2013.821904.
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 13520
Sanna, Simone, et al. “Vibrational Fingerprints of LiNbO3-LiTaO3Mixed Crystals.” Ferroelectrics, vol. 447, no. 1, 2013, pp. 63–68, doi:10.1080/00150193.2013.821893.
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 13524
Landmann, M., et al. “Transition Energies and Direct-Indirect Band Gap Crossing in Zinc-Blende AlxGa1−xN.” Physical Review B, vol. 87, no. 19, 2013, doi:10.1103/physrevb.87.195210.
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13531
Schmidt, Christian, et al. “Substrate Induced Thermal Decomposition of Perfluoro-Pentacene Thin Films on the Coinage Metals.” The Journal of Physical Chemistry C, vol. 116, 2012, pp. 24098–106, doi:10.1021/jp307316r.
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13534
Wall, Simone, et al. “Atomistic Picture of Charge Density Wave Formation at Surfaces.” Physical Review Letters, vol. 109, no. 18, 2012, doi:10.1103/physrevlett.109.186101.
LibreCat
| DOI
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, vol. 59, no. 9, 2012, pp. 1925–28, doi:10.1109/tuffc.2012.2408.
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| DOI
2012 | Journal Article | LibreCat-ID: 13536
Riefer, Arthur, et al. “Linear and Nonlinear Optical Response of LiNbO3 Calculated from First Principles.” IEEE Transactions on Ultrasonics, Ferroelectrics, and Frequency Control, vol. 59, no. 9, 2012, pp. 1929–33, doi:10.1109/tuffc.2012.2409.
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13538
Riefer, A., et al. “Polarization-Dependent Methanol Adsorption on Lithium Niobate Z-Cut Surfaces.” Physical Review B, vol. 86, no. 12, 2012, doi:10.1103/physrevb.86.125410.
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13539
Rode, S., et al. “Atomic-Resolution Imaging of the Polar (0001¯) Surface of LiNbO3in Aqueous Solution by Frequency Modulation Atomic Force Microscopy.” Physical Review B, vol. 86, no. 7, 2012, doi:10.1103/physrevb.86.075468.
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13541
Landmann, M., et al. “Fingerprints of Order and Disorder in the Electronic and Optical Properties of Crystalline and Amorphous TiO2.” Physical Review B, vol. 86, no. 6, 2012, doi:10.1103/physrevb.86.064201.
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13542
Thissen, Peter, et al. “Activation of Surface Hydroxyl Groups by Modification of H-Terminated Si(111) Surfaces.” Journal of the American Chemical Society, vol. 134, 2012, pp. 8869–74, doi:10.1021/ja300270w.
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13543
Rauls, E., et al. “Interplay between Metal-Free Phthalocyanine Molecules and Au(110) Substrates.” Surface Science, vol. 606, 2012, pp. 1120–25, doi:10.1016/j.susc.2012.03.010.
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13545
Landmann, M., et al. “The Electronic Structure and Optical Response of Rutile, Anatase and Brookite TiO2.” Journal of Physics: Condensed Matter, vol. 24, 195503, 2012, doi:10.1088/0953-8984/24/19/195503.
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| DOI
2012 | Journal Article | LibreCat-ID: 13546
Riefer, A., et al. “2-Aminopyrimidine-Silver(I) Based Organic Semiconductors: Electronic Structure and Optical Response.” Physical Review B, vol. 85, no. 16, 2012, doi:10.1103/physrevb.85.165202.
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13548
Thissen, Peter, et al. “PH-Dependent Structure and Energetics of H2O/MgO(100).” Surface Science, vol. 606, 2012, pp. 902–07, doi:10.1016/j.susc.2012.01.018.
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13560
Hölscher, R., et al. “Adsorption of OH and H at the LiNbO3(0001) Surface.” Physica Status Solidi (C), vol. 9, no. 6, 2012, pp. 1361–65, doi:10.1002/pssc.201100534.
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13820
Schmidt, Wolf Gero, et al. “In-Si(111)(4 × 1)/(8 × 2) Nanowires: Electron Transport, Entropy, and Metal-Insulator Transition.” Physica Status Solidi (B), vol. 249, no. 2, 2012, pp. 343–59, doi:10.1002/pssb.201100457.
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 4136
Zirkelbach, F., et al. “First-Principles and Empirical Potential Simulation Study of Intrinsic and Carbon-Related Defects in Silicon.” Physica Status Solidi (c), vol. 9, no. 10–11, Wiley, 2012, pp. 1968–73, doi:10.1002/pssc.201200198.
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2011 | Journal Article | LibreCat-ID: 13561
Berth, Gerhard, et al. “Imaging of the Ferroelectric Domain Structures by Confocal Raman Spectroscopy.” Ferroelectrics, vol. 420, 2011, pp. 44–48, doi:10.1080/00150193.2011.594774.
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 13563
Schmidt, Wolf Gero, et al. “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, vol. 84, no. 11, 2011, doi:10.1103/physrevb.84.115416.
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 13564
dos Santos, L. S., et al. “Group-VII Point Defects in ZnSe.” Physical Review B, vol. 84, no. 11, 2011, doi:10.1103/physrevb.84.115201.
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 13565
Müllegger, Stefan, et al. “Preserving Charge and Oxidation State of Au(III) Ions in an Agent-Functionalized Nanocrystal Model System.” ACS Nano, vol. 5, no. 8, 2011, pp. 6480–86, doi:10.1021/nn201708c.
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 13566
Hoehne, Felix, et al. “Electrically Detected Electron-Spin-Echo Envelope Modulation: A Highly Sensitive Technique for Resolving Complex Interface Structures.” Physical Review Letters, vol. 106, no. 19, 2011, doi:10.1103/physrevlett.106.196101.
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| DOI
2011 | Journal Article | LibreCat-ID: 13567
Konopka, A., et al. “Microscopic Structure and Energy Transfer of Vacancy-Related Defect Pairs with Erbium in Wide-Gap Semiconductors.” Optical Materials, vol. 33, 2011, pp. 1041–44, doi:10.1016/j.optmat.2010.12.005.
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 13568
Mietze, C., et al. “Band Offsets in Cubic GaN/AlN Superlattices.” Physical Review B, vol. 83, no. 19, 2011, doi:10.1103/physrevb.83.195301.
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 13569
Favero, P. P., et al. “Driving Forces for the Adsorption of Cyclopentene on InP(001).” Surface Science, vol. 605, 2011, pp. 824–30, doi:10.1016/j.susc.2011.01.027.
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 13570
Müllegger, S., et al. “Asymmetric Saddling of Single Porphyrin Molecules on Au(111).” Physical Review B, vol. 83, no. 16, 2011, doi:10.1103/physrevb.83.165416.
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| DOI
2011 | Journal Article | LibreCat-ID: 13571
Thierfelder, C., et al. “Methane Adsorption on Graphene from First Principles Including Dispersion Interaction.” Surface Science, vol. 605, 2011, pp. 746–49, doi:10.1016/j.susc.2011.01.012.
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 13823
Sanna, S., et al. “Vibrational Properties of the LiNbO3 Z-Surfaces.” IEEE Transactions on Ultrasonics, Ferroelectrics and Frequency Control, vol. 58, no. 9, 2011, pp. 1751–56, doi:10.1109/tuffc.2011.2012.
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 13824
Zirkelbach, F., et al. “Combined Ab Initio and Classical Potential Simulation Study on Silicon Carbide Precipitation in Silicon.” Physical Review B, vol. 84, no. 6, 2011, doi:10.1103/physrevb.84.064126.
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 13825
Sanna, S., et al. “Barium Titanate Ground- and Excited-State Properties from First-Principles Calculations.” Physical Review B, vol. 83, no. 5, 2011, doi:10.1103/physrevb.83.054112.
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 4543
Sanna, S., et al. “Localised Phonon Modes at LiNbO3(0001) Surfaces.” Ferroelectrics, vol. 419, no. 1, Informa UK Limited, 2011, pp. 1–8, doi:10.1080/00150193.2011.594396.
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13573
Thierfelder, Christian, et al. “Do We Know the Band Gap of Lithium Niobate?” Physica Status Solidi C, vol. 7, no. 2, Wiley-VCH, 2010, pp. 362–65, doi:10.1002/pssc.200982473.
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2010 | Journal Article | LibreCat-ID: 13574
Gerstmann, Uwe, et al. “Ab Initiog-Tensor Calculation for Paramagnetic Surface States: Hydrogen Adsorption at Si Surfaces.” Physica Status Solidi (C), vol. 7, no. 2, 2010, pp. 157–60, doi:10.1002/pssc.200982462.
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| DOI
2010 | Journal Article | LibreCat-ID: 13581
Wippermann, S., et al. “Optical Anisotropy of Si(111)-(4 × 1)/(8 × 2)-In Nanowires Calculated Fromfirst-Principles.” Physica Status Solidi (C), vol. 7, no. 2, 2010, pp. 133–36, doi:10.1002/pssc.200982413.
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| DOI
2010 | Journal Article | LibreCat-ID: 13656
Bihler, C., et al. “Manganese-Hydrogen Complexes InGa1−xMnxN.” Physical Review B, vol. 80, no. 20, 2010, doi:10.1103/physrevb.80.205205.
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13826
Blankenburg, S., et al. “Catalytic Action of a Cu(111) Surface on Tetraazaperopyrene Polymerization.” The Journal of Physical Chemistry Letters, vol. 1, 2010, pp. 3266–70, doi:10.1021/jz101389u.
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13827
Wippermann, S., and Wolf Gero Schmidt. “Entropy Explains Metal-Insulator Transition of the Si(111)-In Nanowire Array.” Physical Review Letters, vol. 105, no. 12, 2010, doi:10.1103/physrevlett.105.126102.
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13828
Zirkelbach, F., et al. “Defects in Carbon Implanted Silicon Calculated by Classical Potentials and First-Principles Methods.” Physical Review B, vol. 82, no. 9, 2010, doi:10.1103/physrevb.82.094110.
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| DOI
2010 | Journal Article | LibreCat-ID: 13829
Krivosheeva, A. V., et al. “First-Principles Investigation of CO Adsorption on Pt/Ge(001)-(4×2).” Computational Materials Science, vol. 49, no. 4, 2010, pp. 895–98, doi:10.1016/j.commatsci.2010.06.043.
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| DOI
2010 | Journal Article | LibreCat-ID: 13830
Rauls, E., et al. “Understanding the Cubic AlN Growth Plane from First Principles.” Journal of Crystal Growth, vol. 312, 2010, pp. 2892–95, doi:10.1016/j.jcrysgro.2010.07.027.
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| DOI
2010 | Journal Article | LibreCat-ID: 13831
Speiser, E., et al. “Metal-Insulator Transition in Si(111)-(4 × 1)/(8 × 2)-In Studied by Optical Spectroscopy.” Physica Status Solidi (B), vol. 247, no. 8, 2010, pp. 2033–39, doi:10.1002/pssb.200983961.
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| DOI
2010 | Journal Article | LibreCat-ID: 13832
Thierfelder, C., and Wolf Gero Schmidt. “First-Principles Study of Water Adsorption and a High-Density Interfacial Ice Structure on(1×1)-O/Rh(111).” Physical Review B, vol. 82, no. 11, 2010, doi:10.1103/physrevb.82.115402.
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2010 | Journal Article | LibreCat-ID: 13833
Sanna, Simone, and Wolf Gero Schmidt. “Lithium NiobateX-Cut,Y-Cut, AndZ-Cut Surfaces Fromab Initiotheory.” Physical Review B, vol. 81, no. 21, 2010, doi:10.1103/physrevb.81.214116.
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| DOI
2010 | Journal Article | LibreCat-ID: 13834
Sanna, Simone, and Wolf Gero Schmidt. “GaN/LiNbO3 (0001) Interface Formation Calculated from First-Principles.” Applied Surface Science, vol. 256, 2010, pp. 5740–43, doi:10.1016/j.apsusc.2010.03.098.
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13835
Scholle, A., et al. “Magnetic Characterization of Conductance Electrons in GaN.” Physica Status Solidi (B), vol. 247, no. 7, 2010, pp. 1728–31, doi:10.1002/pssb.200983582.
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13836
Rauls, E., et al. “Chemical Reactivity on Surfaces: Modeling the Imide Synthesis from DATP and PTCDA on Au(111).” Physical Review B, vol. 81, no. 12, 2010, doi:10.1103/physrevb.81.125401.
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| DOI
2010 | Journal Article | LibreCat-ID: 13837
Scholle, Andreas, et al. “Fine Structure of Triplet Centers in Room Temperature Irradiated 6H-SiC.” Materials Science Forum, vol. 645–648, 2010, pp. 403–06, doi:10.4028/www.scientific.net/msf.645-648.403.
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13838
Sanna, Simone, and Wolf Gero Schmidt. “GaN Growth on LiNbO3 (0001) - a First-Principles Simulation.” Physica Status Solidi (C), vol. 7, no. 7–8, 2010, pp. 2272–74, doi:10.1002/pssc.200983649.
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13839
Blankenburg, S., and Wolf Gero Schmidt. “Temperature Dependent Stability of Self-Assembled Molecular Rows.” Physica Status Solidi (C), vol. 7, no. 2, 2010, pp. 415–17, doi:10.1002/pssc.200982460.
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13841
Blankenburg, S., et al. “The Physics of Highly Ordered Molecular Rows.” Physica Status Solidi (C), vol. 7, no. 2, 2010, pp. 153–56, doi:10.1002/pssc.200982459.
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13842
Sanna, Simone, et al. “Ab Initio Investigation of the LiNbO3(0001) Surface.” Physica Status Solidi (C), vol. 7, no. 2, 2010, pp. 145–48, doi:10.1002/pssc.200982456.
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13843
Wippermann, S., et al. “Dissociative and Molecular Adsorption of Water Onα-Al2O3(0001).” Physica Status Solidi (C), vol. 7, no. 2, 2010, pp. 137–40, doi:10.1002/pssc.200982423.
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13576
Blankenburg, S., et al. “The Physics of Highly Ordered Molecular Rows.” Physica Status Solidi (C), 2009, pp. 153–56, doi:10.1002/pssc.200982459.
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13577
Blankenburg, S., et al. “The Physics of Highly Ordered Molecular Rows.” Physica Status Solidi (C), vol. 7, no. 2, 2009, pp. 153–56, doi:10.1002/pssc.200982459.
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13578
Sanna, Simone, et al. “Ab Initioinvestigation of the LiNbO3(0001) Surface.” Physica Status Solidi (C), 2009, pp. 145–48, doi:10.1002/pssc.200982456.
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13579
Sanna, Simone, et al. “Ab Initioinvestigation of the LiNbO3(0001) Surface.” Physica Status Solidi (C), vol. 7, no. 2, 2009, pp. 145–48, doi:10.1002/pssc.200982456.
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13580
Wippermann, S., et al. “Dissociative and Molecular Adsorption of Water Onα-Al2O3(0001).” Physica Status Solidi (C), vol. 7, no. 2, 2009, pp. 137–40, doi:10.1002/pssc.200982423.
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13583
Scholle, A., et al. “Vacancy Clusters Created via Room Temperature Irradiation in 6H-SiC.” Physica B: Condensed Matter, vol. 404, 2009, pp. 4742–44, doi:10.1016/j.physb.2009.08.123.
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13655
Thissen, P., et al. “Water Adsorption on the α-Al2O3(0001) Surface.” Physical Review B, vol. 80, no. 24, 2009, doi:10.1103/physrevb.80.245403.
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13657
Sanna, Simone, et al. “Rare-Earth Defect Pairs in GaN: LDA+U Calculations.” Physical Review B, vol. 80, no. 10, 2009, doi:10.1103/physrevb.80.104120.
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13658
Passmann, Regina, et al. “Adsorption Structure of Cyclopentene on InP(001)(2×4).” Physical Review B, vol. 80, no. 12, 2009, doi:10.1103/physrevb.80.125303.
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13659
Blankenburg, S., et al. “Role of Dihydrogen Bonds for the Stabilization of Self-Assembled Molecular Nanostructures.” The Journal of Physical Chemistry C, vol. 113, 2009, pp. 12653–57, doi:10.1021/jp902337p.
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13660
Chandola, S., et al. “Structure of Si(111)-In Nanowires Determined from the Midinfrared Optical Response.” Physical Review Letters, vol. 102, no. 22, 2009, doi:10.1103/physrevlett.102.226805.
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| DOI