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Multiple scattering of primary electrons in crystalline solids: numerical calculations for Pt/Cu(111) and Cu/Pt(111) systems
Applied Surface Science ( IF 6.7 ) Pub Date : 2022-06-22 , DOI: 10.1016/j.apsusc.2022.153934
I. Morawski , M. Nowicki

The multiple scattering formalism used to describe the primary electron beam scattering events in crystalline solids results in theoretical distributions of elastically backscattered electrons and Auger electrons. In calculations different locations of the monolayer and the resulting intensity distributions are shown. The theoretical formalism concerns the final form of the wave field in a solid and the interference of the primary plane and the scattered spherical electron waves. The explicit form of the wave function at the emitter site, the formula used to calculate the signal of elastically backscattered electrons and Auger electrons as well as parameters involved in simulations are discussed. The results of numerical calculations presented as stereographic distributions reveal characteristic intensity maxima and bands associated with crystalline directions and planes, respectively. The data are discussed in the context of the sample structure within the surface near region, scattering properties of individual atoms, lattice parameters, location of the layer as well as the sample chemical composition. Moreover, a detailed analysis of intensities associated with different atomic directions in the face centred cubic crystals, as well as averaged intensities of whole distributions are shown. The short range order structural information, which concerns the nearest and next nearest neighbours in a three dimensional unit cell, can be applied in the modelling of heterostructures and the calculation of signal distributions with the use of the multiple scattering approach. This can be helpful in the detailed analysis of intensity features observed experimentally.



中文翻译:

晶体固体中初级电子的多次散射:Pt/Cu(111) 和 Cu/Pt(111) 系统的数值计算

用于描述结晶固体中初级电子束散射事件的多重散射形式导致弹性背散射电子和俄歇电子的理论分布。在计算中显示了单层的不同位置和由此产生的强度分布。理论形式涉及固体中波场的最终形式以及主平面和散射球面电子波的干涉。讨论了发射极处波函数的显式形式、弹性背散射电子和俄歇电子信号的计算公式以及模拟中涉及的参数。呈现为立体分布的数值计算结果分别揭示了与结晶方向和平面相关的特征强度最大值和带。数据在表面附近区域内的样品结构、单个原子的散射特性、晶格参数、层的位置以及样品化学成分的背景下进行了讨论。此外,还详细分析了面心立方晶体中与不同原子方向相关的强度,以及整体分布的平均强度。短程有序结构信息,涉及三维晶胞中的最近邻和次近邻,可以应用于异质结构的建模和使用多重散射方法计算信号分布。这有助于详细分析实验观察到的强度特征。

更新日期:2022-06-22
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