@article{PietschDavaasambuuKochinetal.2004,
  author    = {Pietsch, Ullrich and Davaasambuu, Jav and Kochin, V. and Schwarz, K. H. and Blaha, Pawel},
  title     = {The atomistic origin of the inverse piezoelectric effect in a-quartz},
  year      = {2004},
  abstract  = {Ab initio calculations have been carried out using the FP-APW+lo method in order to understand the atomic origin of the inverse piezoelectric effect in x-quartz. The external electric field was modelled by a saw-like potential V-ext in order to achieve translational symmetry within a supercell (SC) containing 72 atoms. The original trigonal quartz structure was repeated along the [110] direction, which corresponds to the direction of the external field. An electric field with 550 kV/mm was applied and the atomic positions of the SC were relaxed until the forces acting on the atoms vanished. In parts of the SC, V-ext changes almost linearly and thus the relaxed atomic positions can be used to determine the structural response due to the external electric field. The calculations provide the piezoelectric modulus of the correct order of magnitude. In contrast to previous models and in agreement with recent experimental results, the atomic origin of the piezoelectric effect can be described by a rotation of slightly deformed SiO4 tetrahedra against each other. The change of the Si-O bond lengths and the tetrahedral O-Si-O angles is one order of magnitude smaller than that of the Si-O-Si angles between neighbouring tetrahedra. The calculated changes of X-ray structure factors are in agreement with experiment when the theoretical data are extrapolated down to the much smaller field strength that is applied in the experiment (E < 10 kV/mm). (C) 2004 Elsevier Ltd. All rights reserved},
  language  = {en}
}
@article{SaphiannikovaGeueHennebergetal.2004,
  author    = {Saphiannikova, Marina and Geue, Thomas and Henneberg, Oliver and Morawetz, Knut and Pietsch, Ullrich},
  title     = {Linear viscoelastic analysis of formation and relaxation of azobenzene polymer gratings},
  doi       = {10.1063/1.1642606},
  year      = {2004},
  abstract  = {Surface relief gratings on azobenzene containing polymer films were prepared under irradiation by actinic light. Finite element modeling of the inscription process was carried out using linear viscoelastic analysis. It was assumed that under illumination the polymer film undergoes considerable plastification, which reduces its original Young's modulus by at least three orders of magnitude. Force densities of about 10(11) N/m(3) were necessary to reproduce the growth of the surface relief grating. It was shown that at large deformations the force of surface tension becomes comparable to the inscription force and therefore plays an essential role in the retardation of the inscription process. In addition to surface profiling the gradual development of an accompanying density grating was predicted for the regime of continuous exposure. Surface grating development under pulselike exposure cannot be explained in the frame of an incompressible fluid model. However, it was easily reproduced using the viscoelastic model with finite compressibility. (C) 2004 American Institute of Physics},
  language  = {en}
}
@article{HennebergPanznerPietschetal.2004,
  author    = {Henneberg, Oliver and Panzner, Tobias and Pietsch, Ullrich and Geue, Thomas and Saphiannikova, Marina and Rochon, Paul and Finkelstein, Kenneth D.},
  title     = {X-ray and VIS light scattering from light-induced polymer gratings},
  issn      = {0044-2968},
  year      = {2004},
  abstract  = {Sinusoidally shaped surface relief gratings made of polymer films containing, azobenzene moieties can be created by holographic illumination with laser light of about lambda approximate to 500 nm. The remarkable material transport takes place at temperatures far (100 K) below the glass transition temperature of the material. As probed by visible light scattering the efficiency of grating formation crucially depends on the polarization state of the laser light and is maximal when circular polarization is used. In contrast to VIS light scattering X-ray diffraction is most sensitive for periodic surface undulations with amplitudes below 10 nm. Thus, combined in-situ X-ray and visible light scattering at CHESS were used to investigate the dynamics of surface relief grating formations upon laser illumination. The time development of grating peaks up to 9th order at laser power of P = 20 mW/cm(2) could be investigated, even the onset of grating formation as a function of light polarization. A linear growth of grating amplitude was observed for all polarizations. The growth velocity is maximal using circularly polarized light but very small for s-polarized light},
  language  = {en}
}