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Dr. Probe: A software for high-resolution STEM image simulation.

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Dr. Probe software enables multislice simulations for scanning transmission electron microscopy (STEM) images. Averaging over lattice configurations is crucial to prevent atom-counting bias in simulations.

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Area of Science:

  • Materials Science
  • Computational Physics
  • Electron Microscopy

Background:

  • Scanning Transmission Electron Microscopy (STEM) is a powerful technique for atomic-resolution imaging.
  • Accurate simulations are essential for interpreting STEM data and quantitative analysis.
  • The frozen-lattice approach is commonly used to simulate thermal-diffuse scattering.

Purpose of the Study:

  • Introduce the Dr. Probe software for multislice STEM simulations.
  • Demonstrate the software's capabilities with examples of bright-field, dark-field STEM, and diffraction pattern simulations.
  • Detail the numerical procedure for simulating thermal-diffuse scattering using the frozen-lattice approach.

Main Methods:

  • Development and application of the Dr. Probe software for multislice STEM simulations.
  • Utilizing a graphical user interface for demonstrating program features.
  • Implementing the frozen-lattice approach for simulating thermal-diffuse scattering.
  • Analyzing intensity variations and atom-counting bias in simulations.

Main Results:

  • Dr. Probe software provides a comprehensive tool for STEM image simulations.
  • Simulations reveal intensity variations due to frozen-lattice effects, impacting atom counting.
  • Significant averaging over multiple lattice configurations is necessary to mitigate atom-counting bias.
  • A strategy for assessing the required averaging based on signal variance and gain per atom is developed.

Conclusions:

  • The Dr. Probe software is a valuable tool for advancing STEM simulations.
  • Careful consideration of frozen-lattice variations and averaging is critical for accurate quantitative analysis in STEM.
  • The developed strategy aids in determining appropriate simulation parameters for reliable atom counting.