@article{13579,
  author       = {{Sanna, Simone and Gavrilenko, Alexander V. and Schmidt, Wolf Gero}},
  issn         = {{1862-6351}},
  journal      = {{physica status solidi (c)}},
  number       = {{2}},
  pages        = {{145--148}},
  title        = {{{Ab initioinvestigation of the LiNbO3(0001) surface}}},
  doi          = {{10.1002/pssc.200982456}},
  volume       = {{7}},
  year         = {{2009}},
}

@article{13577,
  author       = {{Blankenburg, S. and Rauls, E. and Schmidt, Wolf Gero}},
  issn         = {{1862-6351}},
  journal      = {{physica status solidi (c)}},
  number       = {{2}},
  pages        = {{153--156}},
  title        = {{{The physics of highly ordered molecular rows}}},
  doi          = {{10.1002/pssc.200982459}},
  volume       = {{7}},
  year         = {{2009}},
}

@article{13578,
  author       = {{Sanna, Simone and Gavrilenko, Alexander V. and Schmidt, Wolf Gero}},
  issn         = {{1862-6351}},
  journal      = {{physica status solidi (c)}},
  pages        = {{145--148}},
  title        = {{{Ab initioinvestigation of the LiNbO3(0001) surface}}},
  doi          = {{10.1002/pssc.200982456}},
  year         = {{2009}},
}

@article{13576,
  author       = {{Blankenburg, S. and Rauls, E. and Schmidt, Wolf Gero}},
  issn         = {{1862-6351}},
  journal      = {{physica status solidi (c)}},
  pages        = {{153--156}},
  title        = {{{The physics of highly ordered molecular rows}}},
  doi          = {{10.1002/pssc.200982459}},
  year         = {{2009}},
}

@article{13665,
  author       = {{Landmann, M. and Rauls, E. and Schmidt, Wolf Gero}},
  issn         = {{1098-0121}},
  journal      = {{Physical Review B}},
  number       = {{4}},
  title        = {{{First-principles calculations of clean Au(110) surfaces and chemisorption of atomic oxygen}}},
  doi          = {{10.1103/physrevb.79.045412}},
  volume       = {{79}},
  year         = {{2009}},
}

@article{13662,
  author       = {{Blankenburg, S and Schmidt, Wolf Gero}},
  issn         = {{0953-8984}},
  journal      = {{Journal of Physics: Condensed Matter}},
  title        = {{{Glutamic acid adsorbed on Ag(110): direct and indirect molecular interactions}}},
  doi          = {{10.1088/0953-8984/21/18/185001}},
  volume       = {{21}},
  year         = {{2009}},
}

@article{13659,
  author       = {{Blankenburg, S. and Rauls, E. and Schmidt, Wolf Gero}},
  issn         = {{1932-7447}},
  journal      = {{The Journal of Physical Chemistry C}},
  pages        = {{12653--12657}},
  title        = {{{Role of Dihydrogen Bonds for the Stabilization of Self-Assembled Molecular Nanostructures}}},
  doi          = {{10.1021/jp902337p}},
  volume       = {{113}},
  year         = {{2009}},
}

@article{13664,
  author       = {{Lange, B. and Posner, R. and Pohl, K. and Thierfelder, C. and Grundmeier, Guido and Blankenburg, S. and Schmidt, Wolf Gero}},
  issn         = {{0039-6028}},
  journal      = {{Surface Science}},
  pages        = {{60--64}},
  title        = {{{Water adsorption on hydrogenated Si(111) surfaces}}},
  doi          = {{10.1016/j.susc.2008.10.030}},
  volume       = {{603}},
  year         = {{2009}},
}

@article{13661,
  author       = {{Landmann, M. and Rauls, E. and Schmidt, Wolf Gero}},
  issn         = {{1932-7447}},
  journal      = {{The Journal of Physical Chemistry C}},
  pages        = {{5690--5699}},
  title        = {{{Chainlike Au−O Structures on Au(110)-(1 × r) Surfaces Calculated from First Principles}}},
  doi          = {{10.1021/jp810581s}},
  volume       = {{113}},
  year         = {{2009}},
}

@article{13660,
  author       = {{Chandola, S. and Hinrichs, K. and Gensch, M. and Esser, N. and Wippermann, S. and Schmidt, Wolf Gero and Bechstedt, F. and Fleischer, K. and McGilp, J. F.}},
  issn         = {{0031-9007}},
  journal      = {{Physical Review Letters}},
  number       = {{22}},
  title        = {{{Structure of Si(111)-In Nanowires Determined from the Midinfrared Optical Response}}},
  doi          = {{10.1103/physrevlett.102.226805}},
  volume       = {{102}},
  year         = {{2009}},
}

@article{13658,
  author       = {{Passmann, Regina and Favero, Priscila and Schmidt, Wolf Gero and Miotto, Ronei and Braun, Walter and Richter, Wolfgang and Kneissl, Michael and Esser, Norbert and Vogt, Patrick}},
  issn         = {{1098-0121}},
  journal      = {{Physical Review B}},
  number       = {{12}},
  title        = {{{Adsorption structure of cyclopentene on InP(001)(2×4)}}},
  doi          = {{10.1103/physrevb.80.125303}},
  volume       = {{80}},
  year         = {{2009}},
}

@article{13657,
  author       = {{Sanna, Simone and Schmidt, Wolf Gero and Frauenheim, Th. and Gerstmann, Uwe}},
  issn         = {{1098-0121}},
  journal      = {{Physical Review B}},
  number       = {{10}},
  title        = {{{Rare-earth defect pairs in GaN: LDA+U calculations}}},
  doi          = {{10.1103/physrevb.80.104120}},
  volume       = {{80}},
  year         = {{2009}},
}

@article{13655,
  author       = {{Thissen, P. and Grundmeier, Guido and Wippermann, S. and Schmidt, Wolf Gero}},
  issn         = {{1098-0121}},
  journal      = {{Physical Review B}},
  number       = {{24}},
  title        = {{{Water adsorption on the α-Al2O3(0001) surface}}},
  doi          = {{10.1103/physrevb.80.245403}},
  volume       = {{80}},
  year         = {{2009}},
}

@article{13802,
  author       = {{Giannozzi, Paolo and Baroni, Stefano and Bonini, Nicola and Calandra, Matteo and Car, Roberto and Cavazzoni, Carlo and Ceresoli, Davide and Chiarotti, Guido L and Cococcioni, Matteo and Dabo, Ismaila and Dal Corso, Andrea and de Gironcoli, Stefano and Fabris, Stefano and Fratesi, Guido and Gebauer, Ralph and Gerstmann, Uwe and Gougoussis, Christos and Kokalj, Anton and Lazzeri, Michele and Martin-Samos, Layla and Marzari, Nicola and Mauri, Francesco and Mazzarello, Riccardo and Paolini, Stefano and Pasquarello, Alfredo and Paulatto, Lorenzo and Sbraccia, Carlo and Scandolo, Sandro and Sclauzero, Gabriele and Seitsonen, Ari P and Smogunov, Alexander and Umari, Paolo and Wentzcovitch, Renata M}},
  issn         = {{0953-8984}},
  journal      = {{Journal of Physics: Condensed Matter}},
  number       = {{39}},
  title        = {{{QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials}}},
  doi          = {{10.1088/0953-8984/21/39/395502}},
  volume       = {{21}},
  year         = {{2009}},
}

@article{13844,
  abstract     = {{<jats:p>EPR and ESE in nitrogen doped 4H- and 6H-SiC show besides the well known triplet lines of 14N on quasi-cubic (Nc,k) and hexagonal (Nc,h) sites additional lines (Nx) of comparatively low intensity providing half the hf splitting of Nc,k. Frequently re-interpreted as spin-forbid¬den lines, arising from Nc,k pairs and triads or resulting from hopping conductivity, only re¬cent¬ly the theoretical calculation of the corresponding g-tensors lead to a tentative model of distant NC donor pairs on inequivalent lattice sites which are coupled to S = 1 assuming a fine-struc¬ture splitting too small to be observed in the EPR and ESE experiments. In this work, we pre¬sent ESE nutation measurements confirming S = 1 for the Nx center. Analysing the nutation frequencies in comparison with that of the Nc,k (S = 1/2) spectrum as well as the line width of ESE and EPR spectra we obtain a rough estimate between 5104 cm-1 and 50104 cm-1 for the fine-structure splitting demonstrating efficient spin-coupling between nitrogen donors in 4H-SiC.</jats:p>}},
  author       = {{Savchenko, D.V. and Pöppl, Andreas and Kalabukhova, Ekaterina N. and Greulich-Weber, Siegmund and Rauls, Eva and Schmidt, Wolf Gero and Gerstmann, Uwe}},
  issn         = {{1662-9752}},
  journal      = {{Materials Science Forum}},
  pages        = {{343--346}},
  title        = {{{Spin-Coupling in Heavily Nitrogen-Doped 4H-SiC}}},
  doi          = {{10.4028/www.scientific.net/msf.615-617.343}},
  volume       = {{615-617}},
  year         = {{2009}},
}

@article{23484,
  author       = {{Golde, D. and Meier, T. and Koch, S. W.}},
  issn         = {{1098-0121}},
  journal      = {{Physical Review B}},
  number       = {{7}},
  title        = {{{High harmonics generated in semiconductor nanostructures by the coupled dynamics of optical inter- and intraband excitations}}},
  doi          = {{10.1103/physrevb.77.075330}},
  volume       = {{77}},
  year         = {{2008}},
}

@article{13676,
  author       = {{Schmidt, Wolf Gero and Albrecht, M. and Wippermann, S. and Blankenburg, S. and Rauls, E. and Fuchs, F. and Rödl, C. and Furthmüller, J. and Hermann, A.}},
  issn         = {{1098-0121}},
  journal      = {{Physical Review B}},
  title        = {{{LiNbO3ground- and excited-state properties from first-principles calculations}}},
  doi          = {{10.1103/physrevb.77.035106}},
  volume       = {{77}},
  year         = {{2008}},
}

@article{13674,
  author       = {{Wippermann, S. and Koch, N. and Schmidt, Wolf Gero}},
  issn         = {{0031-9007}},
  journal      = {{Physical Review Letters}},
  number       = {{10}},
  title        = {{{Adatom-Induced Conductance Modification of In Nanowires: Potential-Well Scattering and Structural Effects}}},
  doi          = {{10.1103/physrevlett.100.106802}},
  volume       = {{100}},
  year         = {{2008}},
}

@article{13666,
  author       = {{Wippermann, S. and Schmidt, Wolf Gero}},
  issn         = {{1098-0121}},
  journal      = {{Physical Review B}},
  number       = {{23}},
  title        = {{{Water adsorption on clean Ni(111) and p(2×2)-Ni(111)-O surfaces calculated from first principles}}},
  doi          = {{10.1103/physrevb.78.235439}},
  volume       = {{78}},
  year         = {{2008}},
}

@article{13671,
  author       = {{Hermann, A. and Schmidt, Wolf Gero and Schwerdtfeger, P.}},
  issn         = {{0031-9007}},
  journal      = {{Physical Review Letters}},
  number       = {{20}},
  title        = {{{Resolving the Optical Spectrum of Water: Coordination and Electrostatic Effects}}},
  doi          = {{10.1103/physrevlett.100.207403}},
  volume       = {{100}},
  year         = {{2008}},
}