Questions tagged [electron-diffraction]

Questions about electron diffraction in materials.

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8
votes
1answer
114 views

What are open source options to simulate kinematical electron diffraction patterns?

I tried using the python package diffsims. I get an image, but not a diffraction pattern I was expecting. ...
7
votes
0answers
49 views

Convert standard image file format to py4DSTEM datacube?

I want to analyze a diffraction pattern. Py4dSTEM is asking for a datacube to start with. I thought it might be able to convert an image to this format: ...
12
votes
0answers
120 views

How do I know if the reconstruction in the picture is a 2x2 reconstruction?

How do I know if the reconstruction in the picture is a 2x2 reconstruction or not?                                     I believe that this corresponds to a 2x2 reconstruction because there's an even ...
14
votes
1answer
97 views

Analytical expression for an atomic lattice "muffin-tin" potential for purposes of illustration and simple scattering calculations

Before taking the deep dive (see linked questions below) into calculating the diffraction of 20 to 200 eV electrons from crystal surfaces, I'd like to generate a simple "muffin-tin potential"...
9
votes
0answers
75 views

Have FDTD methods made inroads into dynamical simulation of electron and/or X-ray scattering by crystals?

I'm afraid this question might be too basic or too naive or both, but here goes! For optical diffraction by periodic nano-structures (gratings, semiconductor manufacturing metrology) the rigorous ...
11
votes
1answer
308 views

Simulated low energy electron diffraction (LEED) patterns

What modern software supports the generation of LEED patterns? It seems most LEED simulation packages are quite old and do not work on modern hardware. Is there something that prevents common ...
12
votes
1answer
103 views

Overview of how self-consistent dynamical low-energy electron diffraction simulations are performed

A technique for deducing arrangements of atoms on crystal surfaces is Low Energy Electron Diffraction or LEED. For a flat crystal surface aligned to a low-order plane with perhaps a 2D periodic ...