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

Dynamical diffraction of high-energy electrons by light-atom structures: a multiple forward scattering interpretation.
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DOI:
10.1107/s2053273322011779
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发表时间:
2023-03-01
期刊:
Acta crystallographica. Section A, Foundations and advances
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用T矩阵计算了规则排列的有效球面势垒对快电子的散射。对前向散射近似和实空间多重散射的解释进行了评估。由于电子与原子的强相互作用,由于需要考虑强的动力学绕射,因此不能用绕射的运动学理论来描述电子被一组原子的散射。本文将T矩阵形式应用于球坐标下相应的薛定谔方程,精确地求解了高能电子与规则光原子阵列的散射问题。使用独立的原子模型,其中每个原子由一个具有有效恒定势能的球体表示。讨论了目前流行的多层片法所假定的前向散射近似和位相光栅近似的正确性,提出了对多次散射的另一种解释,并与已有的解释进行了比较。
The T-matrix is used to compute the scattering of fast electrons by a regular array of effective spherical potential wells. An assessment of the forward scattering approximation and a real-space multiple scattering interpretation are provided. 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.