Selected Publications

Please refer to the Research Information System (RIS) for a complete list of all publications of the Theoretical Materials Physics group.

Controlled growth of ordered monolayers of N-heterocyclic carbenes on silicon

M. Franz, S. Chandola, M. Koy, R. Zielinski, H. Aldahhak, M. Das, M. Freitag, U. Gerstmann, D. Liebig, A.K. Hoffmann, M. Rosin, W.G. Schmidt, C. Hogan, F. Glorius, N. Esser, M. Dähne
Nature Chemistry 13, 828 (2021). doi:10.1038/s41557-021-00721-2

Vibration-Driven Self-Doping of Dangling-Bond Wires on Si(553)-Au Surfaces

C. Braun, S. Neufeld, U. Gerstmann, S. Sanna, J. Plaickner, E. Speiser, N. Esser, W. G. Schmidt Phys. Rev. Lett. 124, 146802 (2020). doi:10.1103/PhysRevLett.124.146802


Beyond the molecular movie: Dynamics of bands and bonds during a photoinduced phase transition

C.W. Nicholson, A. Lücke, W.G. Schmidt, M. Puppin, L. Rettig, R. Ernstorfer, M. Wolf Science 362, 821 (2018). doi:10.1126/science.aar4183


Signatures of transient Wannier-Stark localization in bulk gallium arsenide

C. Schmidt, J. Bühler, A.-C. Heinrich, J. Allerbeck, R. Podzimski, D. Berghoff, T. Meier, W.G. Schmidt, C. Reichl, W. Wegscheider, D. Brida, A. Leitenstorfer Nature Communications 9, 2890 (2018).

Optically excited structural transition in atomic wires on surfaces at the quantum limit

T. Frigge, B. Hafke, T. Witte, B. Krenzer, C. Streubühr, A. Samad Syed, V. Miksic Trontl, I. Avigo, P. Zhou, M. Ligges, D. von der Linde, U. Bovensiepen, M. Horn-von Hoegen, S. Wippermann, A. Lücke, S. Sanna, U. Gerstmann, W. G. Schmidt
Nature 544, 207 (2017), doi:10.1038/nature21432

Atomic Structure of Interface States in Silicon Heterojunction Solar Cells

B.M. George, J. Behrends, A. Schnegg, T.F. Schulze, M. Fehr, L. Korte, B. Rech, K. Lips, M. Rohrmüller, E. Rauls, W.G. Schmidt, U. Gerstmann Phys. Rev. Lett. 110, 136803 (2013), doi:10.1103/PhysRevLett.110.136803


Identification of the Nitrogen Split Interstitial (N-N)N in GaN

H.J. von Bardeleben, J.L. Cantin, U. Gerstmann, A. Scholle, S. Greulich-Weber, E. Rauls, M. Landmann, W.G. Schmidt, A. Gentils, J. Botsoa, M. F. Barthe Phys. Rev. Lett. 109, 206402 (2012), doi:10.1103/PhysRevLett.109.206402


Atomistic Picture of Charge Density Wave Formation at Surfaces

S. Wall, B.Krenzer, S. Wippermann, S. Sanna, F. Klasing, A. Hanisch-Blicharski, M. Kammler, W.G. Schmidt, M. Horn-von Hoegen Phys. Rev. Lett. 109, 186101 (2012), doi:10.1103/PhysRevLett.109.186101


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 Phys. Rev. Lett. 106, 196101 (2011), doi:10.1103/PhysRevLett.106.196101


Entropy Explains Metal-Insulator Transition of the Si(111)-In Nanowire Array

S. Wippermann, W.G. Schmidt Phys. Rev. Lett. 105, 126102 (2010), doi:10.1103/PhysRevLett.105.126102


Structure of Si(111)-In Nanowires Determined from the Midinfrared Optical Response

S. Chandola, K. Hinrichs, M. Gensch, N. Esser, S. Wippermann, W.G. Schmidt, F. Bechstedt, K. Fleischer, J.F. McGilp Phys. Rev. Lett. 102, 226805 (2009), doi:10.1103/PhysRevLett.102.226805


Resolving the Optical Spectrum of Water: Coordination and Electrostatic Effects

A. Hermann, W.G. Schmidt, P. Schwerdtfeger Phys. Rev. Lett. 100, 207403 (2008), doi:10.1103/PhysRevLett.100.207403


Adatom-Induced Conductance Modication of In Nanowires: Potential-Well Scattering and Structural Effects

S. Wippermann, N. Koch, W.G. Schmidt Phys. Rev. Lett. 100, 106802 (2008), doi:10.1103/PhysRevLett.100.106802

Long-Range Chiral Recognition due to Substrate Locking and Substrate-Adsorbate Charge Transfer

S. Blankenburg, W.G. Schmidt Phys. Rev. Lett. 99, 196107 (2007), doi:10.1103/PhysRevLett.99.196107

Hexagon versus Trimer Formation in In Nanowires on Si(111): Energetics and Quantum Conductance

A.A. Stekolnikov, K. Seino, F. Bechstedt, S. Wippermann, W.G. Schmidt, A. Calzolari, M. Buongiorno Nardelli Phys. Rev. Lett. 98, 026105 (2007), doi:10.1103/PhysRevLett.98.026105

Attracted by Long-Range Electron Correlation: Adenine on Graphite

F. Ortmann, W.G. Schmidt, F. Bechstedt Phys. Rev. Lett. 95, 186101 (2005), doi:10.1103/PhysRevLett.95.186101

Coulombic Amino Group-Metal Bonding: Adsorption of Adenine on Cu(110)

M. Preuss, W.G. Schmidt, F. Bechstedt Phys. Rev. Lett. 94, 236102 (2005), doi:10.1103/PhysRevLett.94.236102


Femtosecond Transfer Dynamics of Photogenerated Electrons at a Surface Resonance of Reconstructed InP(100)

L. Töben, L. Gundlach, R. Ernstorfer, R. Eichberger, T. Hannappel, F. Willig, A. Zeiser, J. Förstner, A. Knorr, P.H. Hahn, W.G. Schmidt Phys. Rev. Lett. 94, 067601 (2005), doi:10.1103/PhysRevLett.94.067601


Optical Absorption of Water: Coulomb Effects versus Hydrogen Bonding

P.H. Hahn, W. G. Schmidt, K. Seino, M. Preuss, F. Bechstedt, J. Bernholc Phys. Rev. Lett. 94, 037404 (2005), doi:10.1103/PhysRevLett.94.037404


Ga-Rich Limit of Surface Reconstructions on GaAs(001): Atomic Structure of the (4x6) Phase

A. Ohtake, P. Kocán, K. Seino, W. G. Schmidt, N. Koguchi Phys. Rev. Lett. 93, 266101 (2004), doi:10.1103/PhysRevLett.93.266101


Energetics of Si(001) Surfaces Exposed to Electric Fields and Charge Injection

K. Seino, W.G. Schmidt, F. Bechstedt Phys. Rev. Lett. 93, 036101 (2004), doi:10.1103/PhysRevLett.93.036101


InP(001)-(2×1) Surface: A Hydrogen Stabilized Structure

W.G. Schmidt, P.H. Hahn, F. Bechstedt, N. Esser, P. Vogt, A. Wange, W. Richter Phys. Rev. Lett. 90, 126101 (2003), doi:10.1103/PhysRevLett.90.126101


Bulk Excitonic Effects in Surface Optical Spectra

P.H. Hahn, W.G. Schmidt, F. Bechstedt Phys. Rev. Lett. 88, 016402 (2001), doi:10.1103/PhysRevLett.88.016402


Optical Anisotropy of the SiC(001)-(3x2) Surface: Evidence for the Two-Adlayer Asymmetric-Dimer Model

W. Lu, W.G. Schmidt, E.L. Briggs, J. Bernholc Phys. Rev. Lett. 85, 4381 (2000), doi:10.1103/PhysRevLett.85.4381


Reectance Anisotropy of GaAs(100): Theory and Experiment

AI. Shkrebtii, N. Esser, W. Richter, W.G. Schmidt, F. Bechstedt, B.O. Fimland, A. Kley, R. Del Sole Phys. Rev. Lett. 81, 721 (1998), doi:10.1103/PhysRevLett.81.721


Atomic Structure of the Sb-Stabilized GaAs(100)-(2x4) Surface

N. Esser, AI. Shkrebtii, U. Resch-Esser, C. Springer, W. Richter, W.G. Schmidt, F. Bechstedt, R. Del Sole Phys. Rev. Lett. 77, 4402 (1996), doi:10.1103/PhysRevLett.77.4402


Optical Properties of Ordered As Layers on InP(110) Surfaces

P.V. Santos, B. Koopmans, N. Esser, W.G. Schmidt, F. Bechstedt Phys. Rev. Lett. 77, 759 (1996), doi:10.1103/PhysRevLett.77.759