Dispersion relation diagrams, phonons

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Discussion Overview

The discussion centers on the phenomenon of non-zero frequency at zero wavenumber in dispersion relation diagrams, particularly in the context of optical phonons in crystals. Participants explore the implications of this behavior in relation to the structure of the crystal and the nature of phonons.

Discussion Character

  • Technical explanation, Conceptual clarification, Debate/contested

Main Points Raised

  • One participant questions how it is possible for omega to be non-zero at k=0, suggesting a misunderstanding of the relationship between wavenumber and wave properties.
  • Another participant notes that optical phonons have non-zero energy at the center of the Brillouin zone, implying a specific characteristic of these phonons.
  • A different participant explains that k is not strictly a wavenumber in this context, introducing the concept of 'crystal momentum' and its implications.
  • It is mentioned that the reduced zone scheme may be relevant, where bands from adjacent zones are folded back into the first zone, affecting the interpretation of k values.
  • One participant elaborates on the conditions under which optical phonons occur, emphasizing the role of multiple atoms per unit cell and the resulting ability for relative displacement, which allows for non-zero frequency at k=0.

Areas of Agreement / Disagreement

Participants present multiple perspectives on the topic, with some agreeing on the nature of optical phonons and their behavior, while others raise questions and provide alternative explanations. The discussion remains unresolved regarding the implications of these points.

Contextual Notes

Participants reference concepts such as crystal momentum and the reduced zone scheme, which may require further clarification or assumptions not fully explored in the discussion.

_Andreas
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In dispersion relation diagrams, where omega is plotted against k, omega is sometimes nonzero at k=0. How is this possible? I thought a wave had to have a nonzero wavenumber :confused:
 
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Optical phonons have non-zero components at the center of the Brillouin zone.
 
The reason this is possible (as Dr T says, the optical branch has non-zero energy at k=0) is because k is not really a wavenumber.

p = [hbar]k is the 'crystal momentum', which is not a real momentum.
 
Also, you could easily be reading a reduced zone scheme, in which the band from the next zone is folded back into the first zone.

Zz.
 
Optical phonons occur in crystals which have more than one atom per unit cell. If you have a phonon with k=0 that means the displacement of atoms is the same in every cell. When you have only one atom per cell, then a k=0 displacement is just a shift of the whole crystal, so there can't be a restoring force (hence, \omega=0). But if you have more than one atom per unit cell then the atoms could displace relative to one another (eg. like a bond-stretching mode). Then you can have a k=0 wave, where the displacement is the same in each cell, but the atoms in the cell move relative to one another. Then you will have a restoring force, and have \omega > 0 for this type of phonon.
 
Wow, thanks guys!
 

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