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- W2969594559 abstract "• Time-dependent wave function propagation simulations of thermal diffuse scattering . • A relation between the diffuse background and material temperature was established. • Convergent beam electron diffraction patterns of graphene were obtained at 2.5 kV. • The geometry of simulated patterns corresponded with experimental results. The effects of thermal diffuse scattering on diffraction of highly-accelerated electrons by crystal lattices are investigated with a method that combines the frozen phonon approximation with an exact numerical solution of the time-dependent Schrödinger equation. The phonon configuration for each single-electron diffraction process is determined by means of Einstein's model. It is shown that this procedure provides the possibility of describing and explaining, in a natural way, after averaging over a number of electron realizations, how the typical diffraction features that characterize a fully coherent pattern are gradually suppressed by thermally-induced incoherence. This is achieved by a controlled increase of the lattice atomic vibrations and is in contrast to the use of attenuating Debye-Waller factors and complex potential absorbers. A lattice with reduced dimensionality is first considered as a working model, where the method renders results compatible with those reported in the literature. Subsequently, a full three-dimensional system is simulated and results are compared to experimental imaging displaying the method's reliability." @default.
- W2969594559 created "2019-08-29" @default.
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- W2969594559 date "2019-11-01" @default.
- W2969594559 modified "2023-09-30" @default.
- W2969594559 title "Wave-packet numerical investigation of thermal diffuse scattering: A time-dependent quantum approach to electron diffraction simulations" @default.
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- W2969594559 doi "https://doi.org/10.1016/j.micron.2019.102737" @default.
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