@article{54865,
  author       = {{Krenz, Marvin and Gerstmann, Uwe and Schmidt, Wolf Gero}},
  issn         = {{0031-9007}},
  journal      = {{Physical Review Letters}},
  number       = {{7}},
  publisher    = {{American Physical Society (APS)}},
  title        = {{{Defect-Assisted Exciton Transfer across the Tetracene-Si(111):H Interface}}},
  doi          = {{10.1103/physrevlett.132.076201}},
  volume       = {{132}},
  year         = {{2024}},
}

@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{19654,
  author       = {{Krenz, Marvin and Gerstmann, Uwe and Schmidt, Wolf Gero}},
  issn         = {{2470-1343}},
  journal      = {{ACS Omega}},
  pages        = {{24057--24063}},
  title        = {{{Photochemical Ring Opening of Oxirane Modeled by Constrained Density Functional Theory}}},
  doi          = {{10.1021/acsomega.0c03483}},
  year         = {{2020}},
}

@article{29746,
  author       = {{Nicholson, C. W. and Puppin, M. and Lücke, A. and Gerstmann, Uwe and Krenz, Marvin and Schmidt, Wolf Gero and Rettig, L. and Ernstorfer, R. and Wolf, M.}},
  issn         = {{2469-9950}},
  journal      = {{Physical Review B}},
  number       = {{15}},
  publisher    = {{American Physical Society (APS)}},
  title        = {{{Excited-state band mapping and momentum-resolved ultrafast population dynamics in In/Si(111) nanowires investigated with XUV-based time- and angle-resolved photoemission spectroscopy}}},
  doi          = {{10.1103/physrevb.99.155107}},
  volume       = {{99}},
  year         = {{2019}},
}

@article{13411,
  author       = {{Halbig, B. and Liebhaber, M. and Bass, U. and Geurts, J. and Speiser, E. and Räthel, J. and Chandola, S. and Esser, N. and Krenz, Marvin and Neufeld, Sergej and Schmidt, Wolf Gero and Sanna, S.}},
  issn         = {{2469-9950}},
  journal      = {{Physical Review B}},
  number       = {{3}},
  title        = {{{Vibrational properties of the Au-(3×3)/Si(111) surface reconstruction}}},
  doi          = {{10.1103/physrevb.97.035412}},
  volume       = {{97}},
  year         = {{2018}},
}