Why is there reflection in 222 plane of Silicon?

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Discussion Overview

The discussion centers on the phenomenon of reflection in the (222) plane of silicon, particularly addressing the unexpected non-zero intensity observed despite theoretical predictions suggesting a zero structure factor. The scope includes theoretical considerations, structural analysis, and potential experimental implications.

Discussion Character

  • Technical explanation
  • Debate/contested

Main Points Raised

  • One participant presents the structure factor for silicon and notes that it should theoretically be zero for the (222) plane, yet measurements show a non-zero intensity.
  • Another participant suggests that fine structure might be relevant to understanding the observed reflection.
  • A third participant outlines three potential mechanisms for the (222) reflection:
    • The influence of covalent bonding and electron density between atoms on the structure factor.
    • Multiple scattering effects, specifically referencing the Renninger effect.
    • Anomalous scattering of x-rays by tuning photon energy to resonance, such as the K-edge of Germanium.

Areas of Agreement / Disagreement

Participants express differing views on the reasons behind the non-zero intensity in the (222) reflection, with multiple competing explanations proposed. The discussion remains unresolved regarding the primary cause of the observed phenomenon.

Contextual Notes

The discussion involves assumptions about electron density and scattering mechanisms, which may not be fully explored or defined. The implications of covalent bonding and the specifics of the structure factor calculations are also not fully resolved.

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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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