About "laue"--Diffraction in perfect and imperfect crystals
"laue" computes the diffraction pattern of a one dimensional crystal. It is designed to illustrate a number of important ideas in x-ray diffraction: atomic form factor, structure factor, extinction, diffraction from a periodically perturbed crystal (phonon sidebands), thermal diffuse scattering, diffraction analysis of the order-disorder transition, quasicrystal diffraction, and short range versus long range coherence.
"laue" was programmed by Joerg Draeger with much of the original code from Jim Sethna.
About the SSS Project.
Table of contents for Chapter 3 of "Simulations for Solid State Physics"
- Introduction
- Bragg condition
- Atomic form factor
- Atomic scattering
- Envelope of diffraction pattern
- Other atomic shapes
- Structure factor
- Identical atoms
- Different atomic numbers
- Different sizes
- Order-disorder
- Atomic displacements and thermal disorder
- Periodic distortion
- Thermal motion
- Long range crystalline order
- Quasicrystals
- Summary
- Appendix: "laue" -- the program