Abstract
Image simulation for scanning transmission electron microscopy at atomic resolution for samples with realistic dimensions can require very large computation times using existing simulation algorithms. We present a new algorithm named PRISM that combines features of the two most commonly used algorithms, namely the Bloch wave and multislice methods. PRISM uses a Fourier interpolation factor f that has typical values of 4–20 for atomic resolution simulations. We show that in many cases PRISM can provide a speedup that scales with f4 compared to multislice simulations, with a negligible loss of accuracy. We demonstrate the usefulness of this method with large-scale scanning transmission electron microscopy image simulations of a crystalline nanoparticle on an amorphous carbon substrate.
Highlights
Transmission electron microscopy (TEM) is one of the most versatile and powerful experimental tools for imaging and diffraction of micrometer to sub-nanometer structures
Direct electron detectors have already created dramatic improvements in plane wave TEM imaging experiments, especially single-particle biological cryo-EM studies [8,9,10]. These detectors have enabled many new kinds of experiments for scanning transmission electron microscopy (STEM), where the electron probe is converged to very small dimensions and scanned across the surface of a sample, because the camera speed is high enough to record a full image of the diffracted probe at each probe position [11]
If the entire STEM simulation consists of P unique probe positions and H slices through the sample, the total calculation time Tmulti required is Calculation time for plane wave reciprocal space interpolated scattering matrix (PRISM) simulations We will approximate the computation time of the PRISM algorithm, relative to traditional multislice simulations
Summary
Transmission electron microscopy (TEM) is one of the most versatile and powerful experimental tools for imaging and diffraction of micrometer to sub-nanometer structures. If the entire STEM simulation consists of P unique probe positions and H slices through the sample, the total calculation time Tmulti required is Calculation time for PRISM simulations We will approximate the computation time of the PRISM algorithm, relative to traditional multislice simulations.
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