Understanding Density of States in 3d Crystals: A Comprehensive Explanation

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Discussion Overview

The discussion revolves around the concept of density of states in three-dimensional crystals, specifically focusing on the treatment of crystal vibrations and the implications of different boundary conditions on the allowed values of wave vector K. Participants are exploring theoretical aspects and clarifying terminology related to the topic.

Discussion Character

  • Technical explanation
  • Conceptual clarification
  • Debate/contested

Main Points Raised

  • One participant expresses confusion regarding the allowed values of K in relation to volume and the implications of periodic boundary conditions versus fixed ends.
  • Another participant suggests that the initial statement about allowed values of K should be interpreted to mean that there are multiple K values allowed per volume, depending on polarization and branch.
  • A question is raised about the meaning of "branch" in this context, specifically whether it refers to different combinations of Kx, Ky, Kz.
  • A clarification is provided that the same combination of Kx, Ky, Kz can correspond to different states with different energies, citing the example of acoustic and optic branches in a one-dimensional chain with two types of atoms.

Areas of Agreement / Disagreement

Participants appear to have differing interpretations of the terminology and implications of the density of states and boundary conditions, indicating that the discussion remains unresolved with multiple competing views.

Contextual Notes

There are limitations in understanding the definitions of terms such as "branch" and the implications of different boundary conditions on the allowed values of K, which may affect the clarity of the discussion.

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My book gives a treatment of this problem for crystal vibrations, but I don't really understand it. It says: There is one allowed value of K per volume (2[itex]\pi[/itex]/L)3. But at the same time it has just shown that Kx,Ky,Kz can take values ±2[itex]\pi[/itex]/L which would certainly lead to more combinations of Kx,Ky,Kz within the volume confined by (2[itex]\pi[/itex]/L)3. What am I misunderstanding.
Also: applying periodic boundary conditions yields the condition that Kx,Ky,Kz=±n2[itex]\pi[/itex]/L, while fixed ends yielded K=n[itex]\pi[/itex]/L, but my book says the two approaches yield identical results. How is that??
 

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if you read the sentence without pausing, the meaning is slightly different.
"There is one allowed value of K per volume , for each polarization and for each branch."
so there are multiple K values allowed per volume
 
Well in this context, what does the word branch refer to? Different combinations of Kx,Ky,Kz?
 
No, same combination of kx,ky,kz may correspond to different states with different energies.
Look at the acoustic and optic branch in a 1D chain with two types of atoms. This is the simplest example of "branches".
Here for each k there are two energies (or frequencies).
 

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