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Dynamical diffraction of high-energy electrons by light-atom structures: a multiple forward scattering interpretation.

Tarik R DrevonDavid Geoffrey WatermanEugene Krissinel
Published in: Acta crystallographica. Section A, Foundations and advances (2023)
Because of the strong electron-atom interaction, the kinematic theory of diffraction cannot be used to describe the scattering of electrons by an assembly of atoms due to the strong dynamical diffraction that needs to be taken into account. In this paper, the scattering of high-energy electrons by a regular array of light atoms is solved exactly by applying the T-matrix formalism to the corresponding Schrödinger's equation in spherical coordinates. The independent atom model is used, where each atom is represented by a sphere with an effective constant potential. The validity of the forward scattering approximation and the phase grating approximation, assumed by the popular multislice method, is discussed, and an alternative interpretation of multiple scattering is proposed and compared with existing interpretations.
Keyphrases
  • molecular dynamics
  • electron transfer
  • density functional theory
  • high resolution
  • monte carlo
  • electron microscopy
  • crystal structure
  • magnetic resonance imaging
  • mass spectrometry
  • computed tomography
  • high density