@article{37711,
  abstract     = {{<jats:title>Abstract</jats:title><jats:p>Polarons influence decisively the performance of lithium niobate for optical applications. In this work, the formation of (defect) bound polarons in lithium niobate is studied by ab initio molecular dynamics. The calculations show a broad scatter of polaron formation times. Rising temperature increases the share of trajectories with long formation times, which leads to an overall increase of the average formation time with temperature. However, even at elevated temperatures, the average formation time does not exceed the value of 100 femtoseconds, i.e., a value close to the time measured for free, i.e., self-trapped polarons. Analyzing individual trajectories, it is found that the time required for the structural relaxation of the polarons depends sensitively on the excitation of the lithium niobate high-frequency phonon modes and their phase relation.</jats:p>}},
  author       = {{Krenz, Marvin and Gerstmann, Uwe and Schmidt, Wolf Gero}},
  issn         = {{0947-8396}},
  journal      = {{Applied Physics A}},
  keywords     = {{General Materials Science, General Chemistry}},
  pages        = {{480}},
  publisher    = {{Springer Science and Business Media LLC}},
  title        = {{{Bound polaron formation in lithium niobate from ab initio molecular dynamics}}},
  doi          = {{10.1007/s00339-022-05577-y}},
  volume       = {{128}},
  year         = {{2022}},
}

@article{13686,
  author       = {{Schmidt, Wolf Gero and Seino, K. and Preuss, M. and Hermann, A. and Ortmann, F. and Bechstedt, F.}},
  issn         = {{0947-8396}},
  journal      = {{Applied Physics A}},
  pages        = {{387--397}},
  title        = {{{Organic molecule adsorption on solid surfaces: chemical bonding, mutual polarisation and dispersion interaction}}},
  doi          = {{10.1007/s00339-006-3691-0}},
  volume       = {{85}},
  year         = {{2006}},
}

@article{13739,
  author       = {{Schmidt, Wolf Gero}},
  issn         = {{0947-8396}},
  journal      = {{Applied Physics A: Materials Science & Processing}},
  pages        = {{89--99}},
  title        = {{{III-V compound semiconductor (001) surfaces}}},
  doi          = {{10.1007/s003390101058}},
  volume       = {{75}},
  year         = {{2002}},
}

@article{40230,
  author       = {{Vorflusev, V.P. and Kitzerow, Heinz-Siegfried and Chigrinov, V.G.}},
  issn         = {{0947-8396}},
  journal      = {{Applied Physics A: Materials Science &amp; Processing}},
  keywords     = {{General Materials Science, General Chemistry}},
  number       = {{6}},
  pages        = {{615--618}},
  publisher    = {{Springer Science and Business Media LLC}},
  title        = {{{Azimuthal anchoring of liquid crystals at the surface of photo-induced anisotropic films}}},
  doi          = {{10.1007/s003390050526}},
  volume       = {{64}},
  year         = {{1997}},
}

@article{13775,
  author       = {{Schmidt, Wolf Gero}},
  issn         = {{0947-8396}},
  journal      = {{Applied Physics A: Materials Science & Processing}},
  pages        = {{581--586}},
  title        = {{{(4×2) and (2×4) reconstructions of GaAs and InP(001) surfaces}}},
  doi          = {{10.1007/s003390050625}},
  volume       = {{65}},
  year         = {{1997}},
}