Questions tagged [diffraction]

Questions concerning diffraction in materials.

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8 votes
1 answer
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How to calculate a structure factor from a radial distribution function?

I have been trying to take an FFT of the radial distribution function to calculate a structure factor. My understanding is this is the same as the regular FFT from the time to frequency domain. The ...
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8 votes
1 answer
56 views

Error when using pycotem to index an electron diffraction pattern?

In the pycotem code, this error comes up when using the Diffraction GUI. ...
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  • 151
9 votes
0 answers
57 views

Is there a script that will suggest (hkl) indices based on distances in an electron diffraction pattern for a known crystal structure? [closed]

I am looking for a script (preferably in Python) that will suggest (hkl) indices based on distances in an electron diffraction pattern. The crystal structure is known,i.e. I have the CIF file and know ...
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14 votes
1 answer
115 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"...
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14 votes
2 answers
169 views

Why do neutrons scatter from carbon when its nucleus has no magnetic moment?

I thought that carbon with its even number of protons and neutrons has no magnetic spin or moment and yet I learn that neutrons are scattered quite effectively by carbon atoms. I understood that ...
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11 votes
1 answer
477 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 ...
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12 votes
1 answer
114 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 ...
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