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CalAtom: A software for quantitatively analysing atomic columns in a transmission electron microscope image.

Q Zhang1, L Y Zhang1, C H Jin2

  • 1College of Electronic Engineering, South China Agricultural University, Guangzhou, Guangdong 510642, China.

Ultramicroscopy
|April 22, 2019
PubMed
Summary

We created CalAtom, a MATLAB software for precise atomic column analysis in electron microscopy images. It quantifies atomic positions and elemental composition in materials like MoS2(1-x)Se2x alloy monolayers.

Keywords:
CalAtom SoftwareElementary compositionPosition of atomic columnSTEM/TEM

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Area of Science:

  • Materials Science
  • Nanotechnology
  • Analytical Chemistry

Background:

  • Quantitative analysis of atomic columns in (scanning) transmission electron microscopy ((S)TEM) images is crucial for understanding material properties.
  • Existing methods may lack the precision or comprehensive analysis capabilities required for complex materials.

Purpose of the Study:

  • To develop and present CalAtom, a MATLAB-based software tool for high-precision quantitative analysis of atomic columns in (S)TEM images.
  • To provide advanced analytical options for characterizing material structures and compositions.

Main Methods:

  • Developed CalAtom software in MATLAB.
  • Implemented three precise algorithms for atomic column positioning: moment method, model-based method, and multiple-ellipse fitting.
  • Integrated functionalities for local environment analysis, elemental composition determination, and real-space averaging.

Main Results:

  • CalAtom enables accurate determination of atomic column positions.
  • The software facilitates detailed characterization, including local elemental composition.
  • Demonstrated utility by analyzing atomic positions and composition in MoS2(1-x)Se2x alloy monolayers.

Conclusions:

  • CalAtom is a versatile and precise tool for quantitative analysis of atomic columns in (S)TEM.
  • The software enhances the characterization capabilities for advanced materials, such as alloy monolayers.
  • CalAtom provides valuable insights into material structure-property relationships through detailed atomic-level analysis.