A Fast Algorithm for Scanning Transmission Electron Microscopy Imaging and 4D-STEM Diffraction Simulations

Pelz PM, Rakowski A, Dacosta LR, Savitzky BH, Scott MC, Ophus C (2021)

Publication Type: Journal article

Publication year: 2021

Journal

Microscopy and Microanalysis Cambridge University Press (CUP)

Book Volume: 27

Pages Range: 835-848

Journal Issue: 4

DOI: 10.1017/S1431927621012083

Abstract

Abstract Scanning transmission electron microscopy (STEM) is an extremely versatile method for studying materials on the atomic scale. Many STEM experiments are supported or validated with electron scattering simulations. However, using the conventional multislice algorithm to perform these simulations can require extremely large calculation times, particularly for experiments with millions of probe positions as each probe position must be simulated independently. Recently, the plane-wave reciprocal-space interpolated scattering matrix (PRISM) algorithm was developed to reduce calculation times for large STEM simulations. Here, we introduce a new method for STEM simulation: partitioning of the STEM probe into beamlets, given by a natural neighbor interpolation of the parent beams. This idea is compatible with PRISM simulations and can lead to even larger improvements in simulation time, as well requiring significantly less computer random access memory (RAM). We have performed various simulations to demonstrate the advantages and disadvantages of partitioned PRISM STEM simulations. We find that this new algorithm is particularly useful for 4D-STEM simulations of large fields of view. We also provide a reference implementation of the multislice, PRISM, and partitioned PRISM algorithms.

Authors with CRIS profile

Philipp Pelz

Involved external institutions

University of California, Berkeley US United States (USA) (US) Lawrence Berkeley National Laboratory (LBNL) US United States (USA) (US)

How to cite

APA:

Pelz, P.M., Rakowski, A., Dacosta, L.R., Savitzky, B.H., Scott, M.C., & Ophus, C. (2021). A Fast Algorithm for Scanning Transmission Electron Microscopy Imaging and 4D-STEM Diffraction Simulations. Microscopy and Microanalysis, 27(4), 835-848. https://doi.org/10.1017/S1431927621012083

MLA:

Pelz, Philipp M., et al. "A Fast Algorithm for Scanning Transmission Electron Microscopy Imaging and 4D-STEM Diffraction Simulations." Microscopy and Microanalysis 27.4 (2021): 835-848.

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