A Fast Image Simulation Algorithm for Scanning Transmission Electron Microscopy

TL;DR

The paper introduces PRISM, a new fast algorithm for atomic-resolution scanning transmission electron microscopy image simulation, combining existing methods to significantly reduce computation time with minimal accuracy loss.

Contribution

PRISM integrates Bloch wave and multislice methods with Fourier interpolation to accelerate simulations, enabling large-scale atomic-resolution TEM image generation.

Findings

PRISM achieves up to f^4 speedup over multislice methods.

The algorithm maintains high accuracy with typical interpolation factors.

Demonstrated effectiveness on large crystalline nanoparticle simulations.

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, 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 $f^4$ 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.