Dynamical simulations of energy‐filtered inelastic electron diffraction patterns
Dynamical simulations of energy‐filtered inelastic electron diffraction patterns
复制标题
能量过滤非弹性电子衍射图案的动力学模拟
DOI：
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发表时间：
1992
期刊：
影响因子：
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通讯作者：
Z. Wang
中科院分区：
文献类型：
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作者：
Z. Wang
先前提出的非弹性散射理论[Wang（1991）. Acta Cryst.A47，686-698]模拟了声子、等离激元损失和原子核壳散射电子的衍射花样。文中详细介绍了计算方法和程序流程图。计算的热漫散射（TDS）模式，使用全晶格动力学与平行和会聚光束照明的情况下的实验观察。结果表明，菊池斑图主要是由声子散射电子产生的，爱因斯坦模型不是一个好的热振动模型，至少对钼和硅是这样。在强衍射条件下，对芯电离边能量过滤衍射图样的计算表明，弹性散射和非弹性散射不再是独立的，非弹性散射电子的角分布不能简单地用洛伦兹函数描述。所有这些动力学效应都会影响电子能量损失谱（EELS）中的成分微区分析。
The previously proposed inelastic scattering theory [Wang (1991). Acta Cryst. A47, 686–698] has been applied to simulate the diffraction patterns of phonon, plasmon-loss and atomic core-shell scattered electrons. The details of the calculation method and the program flow chart are described here. The calculated thermal diffuse scattering (TDS) patterns using full lattice dynamics agree well with the experimental observations for parallel- and convergent-beam-illumination cases. The results have shown that the Kikuchi pattern is mainly produced by phonon-scattered electrons and that the Einstein model is not a good thermal-vibration model, at least for molybdenum and silicon. Under strongly diffracting conditions, calculations for energy-filtered diffraction patterns of core ionization edges have shown that the elastic and inelastic scattering can no longer be considered as independent and that the angular distribution of the inelastically scattered electrons cannot be simply described by the Lorentzian function. All these dynamical effects can affect the compositional microanalysis in electron energy-loss spectroscopy (EELS).