Why is there reflection in 222 plane of Silicon?

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SUMMARY

The discussion centers on the unexpected non-zero intensity of the (222) reflection in silicon's FCC lattice, despite theoretical predictions suggesting it should be zero. The structure factor for the (222) plane is defined as S_{(hkl)} = [1 + e^{i\pi(h+k)} + e^{i\pi(l+k)} + e^{i\pi(h+l)}] [1 + e^{i\frac{\pi}{2}(h+k+l)}]. Three mechanisms are proposed to explain this phenomenon: the introduction of electron density between covalently bonded atoms, multiple scattering effects like the Renninger effect, and anomalous scattering of X-rays at specific photon energies.

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  • Understanding of FCC lattice structures in crystallography
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  • Familiarity with multiple scattering phenomena
  • Concept of anomalous scattering in X-ray crystallography
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Researchers in materials science, crystallographers, and physicists interested in X-ray diffraction and the properties of silicon and similar materials.

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We know that silicon has a FCC lattice with basis at [0,0,0] and [1/4,1/4,1/4]. The structure factor is

S_{(hkl)} = \left[1 + e^{i\pi(h+k)} + e^{i\pi(l+k)} + e^{i\pi(h+l)} \right] \left[ 1+e^{i\frac{\pi}{2}(h+k+l)} \right]

which should be zero for (222) plane. But measuring it carefully reveals a non-zero intensity. Why is this the case?
 
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There are 3 ways to get the (222) reflection in the Diamond structure:

1. Note that Carbon, Silicon or Germanium are covalently bonded. This implies that there is some finite electron density along the bond. What is the structure factor of (222) if you put, say, 1/10 of an electron half way between the atoms, say at (1/8, 1/8, 1/8) and equivalent positions?

2. Through multiple scattering, e.g. the Renninger effect, as described in the reference cited above.

3. In anomalous scattering of x-rays (ATS), by tuning the photon energy to a resonance such as the K-edge of Germanium.
 
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