Dr. Probe: A software for high-resolution STEM image simulation
Dr. Probe: A software for high-resolution STEM image simulation
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DOI：
10.1016/j.ultramic.2018.06.003
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发表时间：
2018-10-01
期刊：
影响因子：
2.2
通讯作者：
Barthel, J.
中科院分区：
文献类型：
--
作者：
Barthel, J.
介绍了STEM图像多层模拟的Dr. Probe软件，并对其应用方法进行了参考。通过一些明场和暗场 STEM 成像以及衍射图案模拟的示例来演示图形用户界面版本的主要程序功能。详细描述了通过冻结晶格方法模拟热扩散散射的数值程序。在原子计数的背景下讨论了由于冻结晶格变化而在原子列分辨率模拟中发生的强度变化。研究发现，需要对具有不同随机原子位移的许多晶格配置进行显着平均，以防止模拟中的原子计数偏差。开发了一种策略，用于根据估计的信号方差和列中每个原子的预期信号增益来评估所需的平均量。
The Dr. Probe software for multislice simulations of STEM images is introduced, and reference is given of the applied methods. Major program features available with the graphical user interface version are demonstrated by means of a few examples for bright-field and dark-field STEM imaging as well as simulations of diffraction patterns. The numerical procedure applied for the simulation of thermal-diffuse scattering by the frozen-lattice approach is described in detail. Intensity variations occurring in simulations with atomic-column resolution due to frozen-lattice variations are discussed in the context of atom counting. It is found that a significant averaging over many lattice configurations with different random atomic displacements is required to prevent atom-counting bias from simulations. A strategy is developed for the assessment of the amount of required averaging based on the estimated signal variance and the expected signal gain per atom in a column.