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882 Publications


2011 | Journal Article | LibreCat-ID: 13565
Preserving Charge and Oxidation State of Au(III) Ions in an Agent-Functionalized Nanocrystal Model System
S. Müllegger, W. Schöfberger, M. Rashidi, T. Lengauer, F. Klappenberger, K. Diller, K. Kara, J.V. Barth, E. Rauls, W.G. Schmidt, R. Koch, ACS Nano 5 (2011) 6480–6486.
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2011 | Journal Article | LibreCat-ID: 13566
Electrically Detected Electron-Spin-Echo Envelope Modulation: A Highly Sensitive Technique for Resolving Complex Interface Structures
F. Hoehne, J. Lu, A.R. Stegner, M. Stutzmann, M.S. Brandt, M. Rohrmüller, W.G. Schmidt, U. Gerstmann, Physical Review Letters 106 (2011).
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2011 | Journal Article | LibreCat-ID: 13567
Microscopic structure and energy transfer of vacancy-related defect pairs with Erbium in wide-gap semiconductors
A. Konopka, S. Greulich-Weber, V. Dierolf, H.X. Jiang, U. Gerstmann, E. Rauls, S. Sanna, W.G. Schmidt, Optical Materials 33 (2011) 1041–1044.
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2011 | Journal Article | LibreCat-ID: 13568
Band offsets in cubic GaN/AlN superlattices
C. Mietze, M. Landmann, E. Rauls, H. Machhadani, S. Sakr, M. Tchernycheva, F.H. Julien, W.G. Schmidt, K. Lischka, D.J. As, Physical Review B 83 (2011).
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2011 | Journal Article | LibreCat-ID: 13569
Driving forces for the adsorption of cyclopentene on InP(001)
P.P. Favero, A.C. Ferraz, W.G. Schmidt, R. Miotto, Surface Science 605 (2011) 824–830.
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2011 | Journal Article | LibreCat-ID: 13570
Asymmetric saddling of single porphyrin molecules on Au(111)
S. Müllegger, M. Rashidi, T. Lengauer, E. Rauls, W.G. Schmidt, G. Knör, W. Schöfberger, R. Koch, Physical Review B 83 (2011).
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2011 | Journal Article | LibreCat-ID: 13571
Methane adsorption on graphene from first principles including dispersion interaction
C. Thierfelder, M. Witte, S. Blankenburg, E. Rauls, W.G. Schmidt, Surface Science 605 (2011) 746–749.
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2011 | Journal Article | LibreCat-ID: 13823
Vibrational properties of the LiNbO3 z-surfaces
S. Sanna, G. Berth, W. Hahn, A. Widhalm, A. Zrenner, W.G. Schmidt, IEEE Transactions on Ultrasonics, Ferroelectrics and Frequency Control 58 (2011) 1751–1756.
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2011 | Journal Article | LibreCat-ID: 13824
Combined ab initio and classical potential simulation study on silicon carbide precipitation in silicon
F. Zirkelbach, B. Stritzker, K. Nordlund, J.K.N. Lindner, W.G. Schmidt, E. Rauls, Physical Review B 84 (2011).
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2011 | Journal Article | LibreCat-ID: 13825
Barium titanate ground- and excited-state properties from first-principles calculations
S. Sanna, C. Thierfelder, S. Wippermann, T.P. Sinha, W.G. Schmidt, Physical Review B 83 (2011).
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2011 | Journal Article | LibreCat-ID: 4040
Numerical analysis of coupled photonic crystal cavities
S. Declair, T. Meier, A. Zrenner, J. Förstner, Photonics and Nanostructures - Fundamentals and Applications 9 (2011) 345–350.
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2011 | Journal Article | LibreCat-ID: 4044 | OA
Application of the discontinous Galerkin time domain method to the optics of metallic nanostructures
Y. Grynko, J. Förstner, T. Meier, AAPP | Atti Della Accademia Peloritana Dei Pericolanti 89 (2011).
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2011 | Journal Article | LibreCat-ID: 4120
Intensity-dependent ultrafast dynamics of injection currents in unbiased GaAs quantum wells
M. Pochwała, H.T. Duc, J. Förstner, T. Meier, Physica Status Solidi (RRL) - Rapid Research Letters 5 (2011) 119–121.
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2011 | Journal Article | LibreCat-ID: 4049
Oscillatory excitation energy dependence of injection currents in GaAs/AlGaAs quantum wells
H. Thanh Duc, J. Förstner, T. Meier, S. Priyadarshi, A.M. Racu, K. Pierz, U. Siegner, M. Bieler, Physica Status Solidi (c) 8 (2011) 1137–1140.
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2011 | Journal Article | LibreCat-ID: 4118
Numerical investigation of the coupling between microdisk modes and quantum dots
S. Declair, T. Meier, J. Förstner, Physica Status Solidi (c) 8 (2011) 1254–1257.
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2011 | Journal Article | LibreCat-ID: 4091
Simulation of the ultrafast nonlinear optical response of metal slabs
M. Wand, A. Schindlmayr, T. Meier, J. Förstner, Physica Status Solidi B 248 (2011) 887–891.
LibreCat | Files available | DOI | WoS
 

2011 | Journal Article | LibreCat-ID: 4543
Localised Phonon Modes at LiNbO3(0001) Surfaces
S. Sanna, G. Berth, W. Hahn, A. Widhalm, A. Zrenner, W.G. Schmidt, Ferroelectrics 419 (2011) 1–8.
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2011 | Journal Article | LibreCat-ID: 43202
Calculus-based optimization of the electron dynamics in nanostructures
T. Meier, M. Reichelt, A. Walther, Photonics and Nanostructures - Fundamentals and Applications 9 (2011) 328–336.
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2011 | Conference Paper | LibreCat-ID: 4312
Intensity dependence of optically-induced injection currents in semiconductor quantum wells
M. Pochwala, H.T. Duc, J. Förstner, T. Meier, in: CLEO:2011 - Laser Applications to Photonic Applications, Optical Society of America, 2011.
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2011 | Conference Paper | LibreCat-ID: 4043
Simulation of Mutual Coupling of Photonic Crystal Cavity Modes and Semiconductor Quantum Dots
S. Declair, X. Song, T. Meier, J. Förstner, in: THE FOURTH INTERNATIONAL WORKSHOP 2011, AIP, 2011, pp. 123–125.
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2011 | Journal Article | LibreCat-ID: 44059
Wavelet‐Based Adaptive Computations of the Excitonic Eigenstates of Disordered Semiconductor Quantum Wires
T. Meier, C. Mollet, A. Kunoth, AIP Conference Proceedings 1398 (2011) 156–158.
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2011 | Conference Paper | LibreCat-ID: 4048
Theoretical approach to the ultrafast nonlinear optical response of metal slabs
M. Wand, A. Schindlmayr, T. Meier, J. Förstner, in: CLEO:2011 - Laser Applications to Photonic Applications , Optical Society of America, 2011.
LibreCat | Files available | DOI | WoS
 

2011 | Conference Paper | LibreCat-ID: 4122
Injection currents in (110)-oriented GaAs/AlGaAs quantum wells: recent progress in theory and experiment
H.T. Duc, M. Pochwala, J. Förstner, T. Meier, S. Priyadarshi, A.M. Racu, K. Pierz, U. Siegner, M. Bieler, in: K.-T. Tsen, J.-J. Song, M. Betz, A.Y. Elezzabi (Eds.), Ultrafast Phenomena in Semiconductors and Nanostructure Materials XV, SPIE, 2011.
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2011 | Journal Article | LibreCat-ID: 4046 | OA
Electron g-factor anisotropy in symmetric (110)-oriented GaAs quantum wells
J. Hübner, S. Kunz, S. Oertel, D. Schuh, M. Pochwała, H.T. Duc, J. Förstner, T. Meier, M. Oestreich, Physical Review B 84 (2011) 041301(R).
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2011 | Journal Article | LibreCat-ID: 43259
Microscopic theory of the extremely nonlinear terahertz response of semiconductors
D. Golde, M. Kira, T. Meier, S.W. Koch, Physica Status Solidi (b) 248 (2011) 863–866.
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2011 | Conference Paper | LibreCat-ID: 44060
Photocurrents in semiconductor carbon nanotubes with spin-orbit interaction
T. Meier, H. Liu, H.T. Duc, S. Schumache, in: 75. Annual Meeting of the DPG and Combined DPG Spring Meeting, 2011.
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2011 | Conference Paper | LibreCat-ID: 44062
Analysis of multidimensional Fourier transform spectroscopy for semiconductors with a phenomenological level model
T. Meier, C. Wiebeler, M. Reichelt, in: 75. Annual Meeting of the DPG and Combined DPG Spring Meeting , 2011.
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2011 | Conference Paper | LibreCat-ID: 44061
Extreme nonlinear optics in semiconductors with shaped laser pulses
T. Meier, M. Reichelt, A. Walther, in: 75. Annual Meeting of the DPG and Combined DPG Spring Meeting, 2011.
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2011 | Conference Paper | LibreCat-ID: 4042
Application of the Discontinuous Galerkin Time Domain Method to the Optics of Bi-Chiral Plasmonic Crystals
Y. Grynko, J. Förstner, T. Meier, A. Radke, T. Gissibl, P.V. Braun, H. Giessen, 1398 (2011) 76–78.
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2010 | Book Chapter | LibreCat-ID: 18549
First-principles calculation of electronic excitations in solids with SPEX
A. Schindlmayr, C. Friedrich, E. Şaşıoğlu, S. Blügel, in: F.M. Dolg (Ed.), Modern and Universal First-Principles Methods for Many-Electron Systems in Chemistry and Physics, Oldenbourg, München, 2010, pp. 67–78.
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2010 | Journal Article | LibreCat-ID: 18562
Electronic structure and effective masses in strained silicon
M. Bouhassoune, A. Schindlmayr, Physica Status Solidi C 7 (2010) 460–463.
LibreCat | Files available | DOI | WoS
 

2010 | Journal Article | LibreCat-ID: 15846
Dynamics of photoexcitation and stimulated optical emission in conjugated polymers: A multiscale quantum-chemistry and Maxwell-Bloch-equations approach
S. Schumacher, I. Galbraith, A. Ruseckas, G.A. Turnbull, I.D.W. Samuel, Physical Review B (2010).
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2010 | Journal Article | LibreCat-ID: 13573
Do we know the band gap of lithium niobate?
C. Thierfelder, S. Sanna, A. Schindlmayr, W.G. Schmidt, Physica Status Solidi C 7 (2010) 362–365.
LibreCat | Files available | DOI | WoS
 

2010 | Journal Article | LibreCat-ID: 13574
Ab initiog-tensor calculation for paramagnetic surface states: hydrogen adsorption at Si surfaces
U. Gerstmann, M. Rohrmüller, F. Mauri, W.G. Schmidt, Physica Status Solidi (C) 7 (2010) 157–160.
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2010 | Journal Article | LibreCat-ID: 13581
Optical anisotropy of Si(111)-(4 × 1)/(8 × 2)-In nanowires calculated fromfirst-principles
S. Wippermann, W.G. Schmidt, F. Bechstedt, S. Chandola, K. Hinrichs, M. Gensch, N. Esser, K. Fleischer, J.F. McGilp, Physica Status Solidi (C) 7 (2010) 133–136.
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2010 | Journal Article | LibreCat-ID: 13656
Manganese-hydrogen complexes inGa1−xMnxN
C. Bihler, U. Gerstmann, M. Hoeb, T. Graf, M. Gjukic, W.G. Schmidt, M. Stutzmann, M.S. Brandt, Physical Review B 80 (2010).
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2010 | Journal Article | LibreCat-ID: 13826
Catalytic Action of a Cu(111) Surface on Tetraazaperopyrene Polymerization
S. Blankenburg, E. Rauls, W.G. Schmidt, The Journal of Physical Chemistry Letters 1 (2010) 3266–3270.
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2010 | Journal Article | LibreCat-ID: 13827
Entropy Explains Metal-Insulator Transition of the Si(111)-In Nanowire Array
S. Wippermann, W.G. Schmidt, Physical Review Letters 105 (2010).
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2010 | Journal Article | LibreCat-ID: 13828
Defects in carbon implanted silicon calculated by classical potentials and first-principles methods
F. Zirkelbach, B. Stritzker, K. Nordlund, J.K.N. Lindner, W.G. Schmidt, E. Rauls, Physical Review B 82 (2010).
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2010 | Journal Article | LibreCat-ID: 13829
First-principles investigation of CO adsorption on Pt/Ge(001)-(4×2)
A.V. Krivosheeva, S. Sanna, W.G. Schmidt, Computational Materials Science 49 (2010) 895–898.
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2010 | Journal Article | LibreCat-ID: 13830
Understanding the cubic AlN growth plane from first principles
E. Rauls, J. Wiebe, W.G. Schmidt, Journal of Crystal Growth 312 (2010) 2892–2895.
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2010 | Journal Article | LibreCat-ID: 13831
Metal-insulator transition in Si(111)-(4 × 1)/(8 × 2)-In studied by optical spectroscopy
E. Speiser, S. Chandola, K. Hinrichs, M. Gensch, C. Cobet, S. Wippermann, W.G. Schmidt, F. Bechstedt, W. Richter, K. Fleischer, J.F. McGilp, N. Esser, Physica Status Solidi (B) 247 (2010) 2033–2039.
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2010 | Journal Article | LibreCat-ID: 13832
First-principles study of water adsorption and a high-density interfacial ice structure on(1×1)-O/Rh(111)
C. Thierfelder, W.G. Schmidt, Physical Review B 82 (2010).
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2010 | Journal Article | LibreCat-ID: 13833
Lithium niobateX-cut,Y-cut, andZ-cut surfaces fromab initiotheory
S. Sanna, W.G. Schmidt, Physical Review B 81 (2010).
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2010 | Journal Article | LibreCat-ID: 13834
GaN/LiNbO3 (0001) interface formation calculated from first-principles
S. Sanna, W.G. Schmidt, Applied Surface Science 256 (2010) 5740–5743.
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2010 | Journal Article | LibreCat-ID: 13835
Magnetic characterization of conductance electrons in GaN
A. Scholle, S. Greulich-Weber, D.J. As, C. Mietze, N.T. Son, C. Hemmingsson, B. Monemar, E. Janzén, U. Gerstmann, S. Sanna, E. Rauls, W.G. Schmidt, Physica Status Solidi (B) 247 (2010) 1728–1731.
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2010 | Journal Article | LibreCat-ID: 13836
Chemical reactivity on surfaces: Modeling the imide synthesis from DATP and PTCDA on Au(111)
E. Rauls, S. Blankenburg, W.G. Schmidt, Physical Review B 81 (2010).
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2010 | Journal Article | LibreCat-ID: 13837
Fine Structure of Triplet Centers in Room Temperature Irradiated 6H-SiC
A. Scholle, S. Greulich-Weber, E. Rauls, W.G. Schmidt, U. Gerstmann, Materials Science Forum 645–648 (2010) 403–406.
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2010 | Journal Article | LibreCat-ID: 13838
GaN growth on LiNbO3 (0001) - a first-principles simulation
S. Sanna, W.G. Schmidt, Physica Status Solidi (C) 7 (2010) 2272–2274.
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2010 | Journal Article | LibreCat-ID: 13839
Temperature dependent stability of self-assembled molecular rows
S. Blankenburg, W.G. Schmidt, Physica Status Solidi (C) 7 (2010) 415–417.
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