High-angle scattering of fast electrons from crystals containing heavy elements: Simulation and experiment. LeBeau, J. M, Findlay, S. S D S. D, Wang, X., Jacobson, A. J A J A., Allen, L J L. J, & Stemmer, S. Phys. Rev. B: Condens. Matter Mater. Phys., 79(21):214110, APS, June, 2009.
doi  abstract   bibtex   
The paper reports on quantitative comparisons of experimental and simulated image intensities in high-angle annular dark-field imaging in scanning transmission electron microscopy of a PbWO(4) single crystal. The experimental image intensities are normalized to the incident beam. Provided that the effects of spatial incoherence and multiple thermal diffuse scattering events are taken into account in the simulations, excellent agreement within about 5% is achieved between theory and experiments. The comparisons depend critically on accurate knowledge of the Debye-Waller factors, which were determined by x-ray single-crystal structure refinement, and of the experimental thickness values. The Debye-Waller factors are different for different atomic columns, causing column intensities to not be a simple function of their atomic number. Channeling effects associated with the oxygen columns contribute to intensity variations between the Pb and W columns. The results show that even for single crystals, image simulations are required to correctly interpret the contrast.
@ARTICLE{LeBeau2009-ic,
  title     = "High-angle scattering of fast electrons from crystals containing
               heavy elements: Simulation and experiment",
  author    = "LeBeau, James M and Findlay, Scott S D Scott D and Wang, Xiqu
               and Jacobson, Allan J A J Allan and Allen, L J Leslie J and
               Stemmer, Susanne",
  abstract  = "The paper reports on quantitative comparisons of experimental
               and simulated image intensities in high-angle annular dark-field
               imaging in scanning transmission electron microscopy of a
               PbWO(4) single crystal. The experimental image intensities are
               normalized to the incident beam. Provided that the effects of
               spatial incoherence and multiple thermal diffuse scattering
               events are taken into account in the simulations, excellent
               agreement within about 5\% is achieved between theory and
               experiments. The comparisons depend critically on accurate
               knowledge of the Debye-Waller factors, which were determined by
               x-ray single-crystal structure refinement, and of the
               experimental thickness values. The Debye-Waller factors are
               different for different atomic columns, causing column
               intensities to not be a simple function of their atomic number.
               Channeling effects associated with the oxygen columns contribute
               to intensity variations between the Pb and W columns. The
               results show that even for single crystals, image simulations
               are required to correctly interpret the contrast.",
  journal   = "Phys. Rev. B: Condens. Matter Mater. Phys.",
  publisher = "APS",
  volume    =  79,
  number    =  21,
  pages     = "214110",
  month     =  jun,
  year      =  2009,
  keywords  = "Transmission electron microscopy;contrast;crystal
               structure;dark-field images;debye-waller
               factors;microscopy;scanning electron
               microscopy;scattering;vibrations;LeBeau",
  language  = "English",
  issn      = "1098-0121",
  doi       = "10.1103/PhysRevB.79.214110"
}

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