JEM-2100Plus: Software: Electron Diffraction

Note: This page was translated by AI from the Japanese original. In case of any discrepancy, the Japanese version shall prevail.

Original post date (Japanese version): June 22, 2024

Electron diffraction simulation

💡Electron diffraction simulation with Recipro

1. Preparation of crystal structure data
   1. Search for crystal structure data in literature.
   2. You can also obtain the cif file from ICSD etc.
2. Working with ReciPro
   1. boot
      1. Main window is displayed
   2. Crystal structure data input (if necessary)
      1. Enter crystal information directly (at the bottom of the window) or [File: Load crystal from CIF or AMC file]
      2. Click ↑Add to list↑
         1. added to list
   3. Crystal structure selection
      1. Select the structure to simulate from the crystal list
         1. Crystal structure information is loaded
   4. Electron diffraction simulation
      1. Select the [Diffraction Simulator] button
         1. The diffraction simulator window will appear.
      2. [Crystal structure button]
         1. Structure Viewer window is displayed
      3. setting
         1. Default values ​​are OK for the following
            1. screen
            2. Detector information
            3. center of screen
         2. Simulation conditions
            1. Ray source: Electron beam energy 200kV
               1. Match TEM conditions
            2. Incident beam: parallel
            3. Strength calculation: kinetic effects
            4. Spot shape: Gaussian function
      4. Sample orientation specification
         1. direct specification
            1. Zone axis/crystal plane/gonio tilt (Euler angle)
         2. Specify by dragging the mouse
            1. You can move the crystal orientation by dragging the mouse on the diffraction simulator or Structure Viewer.

Electron diffraction pattern indexing

💡 CrysTBox (Crystallographic Tool Box) for indexing single-crystal diffraction patterns.

1. preparation
   1. Obtain electron diffraction pattern
      1. DM3/DM4 format is easy to use.
      2. A pattern as close to the zone axis as possible from a single phase is desirable.
         1. Even if they are mixed to some extent, people can distinguish them by looking at the crystal structure.Crystal structure
   2. Preparation of crystal structure data
      1. Search for crystal structure data in literature.
      2. You can also obtain the cif file from ICSD etc. (recommended)
2. Working with CrysTBox
   1. boot
      1. Click on the CrysTBox icon to launch the application.
         1. CrysTBox Server window is displayed
      2. Click the [diffractGUI] button
         1. 　CrysTBox DiffractGUI A window will appear.
   2. Diffraction pattern reading
      1. Click the [Input image: Browse] button
      2. Load the electron diffraction pattern image file [dm3/dm4].
   3. Load crystal structure data
      1. Select File from the [Input image: Material] drop-down list
      2. Load cif file
   4. indexing
      1. Click the [Procedure: Launch all] button
         1. The following will be executed automatically
            1. Automatic extraction of diffraction spots
            2. Crystal lattice selection
            3. Zone axis search (indexing)
         2. If the Rating is other than good/excellent, consider the possibility that the quality of the diffraction pattern is poor or the assumed structure is incorrect.

*This post was created by an AI agent.