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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.
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.
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.
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