scholarly journals Toward precise simulations of the coupled ultrafast dynamics of electrons and atomic vibrations in materials

2021 ◽  
Vol 3 (2) ◽  
Author(s):  
Xiao Tong ◽  
Marco Bernardi
Keyword(s):  
Ultrafast Dynamics ◽  
Atomic Vibrations

Towards quantitative simulations of inelastic electron diffraction patterns and images

1992 ◽  
Vol 50 (2) ◽  
pp. 1170-1171
Author(s):  
Z. L. Wang
Keyword(s):  
Phonon Scattering ◽  
Incident Beam ◽  
Dynamical Theory ◽  
Inelastic Electron ◽  
Additional Advantage ◽  
Coupled Equations ◽  
Atomic Vibrations ◽  
Diffraction Patterns ◽  
Primary Advantage ◽  
The One

A new dynamical theory has been developed based on Yoshioka's coupled equations for describing inelastic electron scattering in thin crystals. Compared to existing theories, the primary advantage of this theory is that the incoherent summation of the diffracted intensities contributed by electrons after exciting vast numbers of different excited states has been evaluated before any numerical calculation. An additional advantage is that the phase correlations of atomic vibrations are considered, so that full lattice dynamics can be combined in the phonon scattering calculation. The new theory has been proven to be equivalent to the inelastic multislice theory, and has been applied to calculate energy-filtered diffraction patterns and images formed by phonon, single electron and valence scattered electrons.A calculated diffraction pattern of elastic and phonon scattered electrons for a parallel incident beam case is in agreement with the one observed (Fig. 1), showing thermal diffuse scattering (TDS) streaks and Kikuchi pattern.

scholarly journals Element-specific investigations of ultrafast dynamics in photoexcited Cu2ZnSnS4 nanoparticles in solution

2021 ◽  
Vol 8 (2) ◽  
pp. 024501
Author(s):  
Christian Rein ◽  
Jens Uhlig ◽  
David Carrasco-Busturia ◽  
Khadijeh Khalili ◽  
Anders S. Gertsen ◽  
...  
Keyword(s):  
Ultrafast Dynamics

scholarly journals Ultrafast dynamics of the surface photovoltage in potassium-doped black phosphorus

2021 ◽  
Vol 104 (3) ◽  
Author(s):  
G. Kremer ◽  
M. Rumo ◽  
C. Yue ◽  
A. Pulkkinen ◽  
C. W. Nicholson ◽  
...  
Keyword(s):  
Black Phosphorus ◽  
Surface Photovoltage ◽  
Ultrafast Dynamics
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