Fourier component crystal potential - physical significance

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Discussion Overview

The discussion centers on the physical significance of the Fourier components of crystal potentials, particularly in the context of periodic potentials in crystal structures. Participants explore the implications of certain reciprocal lattice vectors having zero Fourier components while others do not, seeking to understand the underlying physical interpretations.

Discussion Character

  • Exploratory
  • Technical explanation
  • Conceptual clarification

Main Points Raised

  • One participant notes that the Fourier component of the shortest reciprocal lattice vector in the z-direction is zero and questions the physical interpretation of this result.
  • Another participant suggests examining the specific atomic arrangement in the z-direction to gain insight into the problem.
  • A participant confirms the structure under consideration and expresses uncertainty about the physical intuition behind the vanishing Fourier component.
  • One participant identifies the structure as hexagonal close packed and explains that the zero Fourier component arises from averaging the potential along identical sheets, leading to cancellation when considering the contributions from different sheets.

Areas of Agreement / Disagreement

Participants generally agree on the structure being discussed and the mathematical approach to the Fourier transform, but there is no consensus on the physical interpretation of the results or the reasons behind the differences in Fourier components.

Contextual Notes

The discussion involves assumptions about the periodicity and symmetry of the crystal structure, as well as the dependence on the specific arrangement of atoms. The implications of the Fourier components are not fully resolved, leaving open questions about their physical significance.

Who May Find This Useful

Researchers and students interested in solid-state physics, crystallography, and the mathematical treatment of periodic potentials may find this discussion relevant.

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I have done several exercises concering periodic potentials in crystal. Especially I did one, where I had to show that the Fourier component of the shortest reciprocal lattice vector (call this vector a) in the z-direction was zero. Now solving the problem was just about writing up the right equations (structure factor of basis etc.)
But it made me think? What is the physical interpretation of the crystal potentials Fourier component of some specific reciprocal lattice vector? And what is the physical interpretation of it vanishing?
I also had to show that the Fourier component of 2a was not zero, which was not hard. But why is it that this component does not vanish and the component of a does? I don't understand it physically..
 
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You should have a look at the specific structure you were considering. Try to sketch the arrangement of atoms in z-direction.
 
The specific structure is as indicated on the picture, and I am quite sure that the shortest vector parallel to the c-axis is the one connecting the two coloured atoms. But that still doesn't give me much intuition.
 

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That's a hexagonal close packed structure and I think the picture is quite obvious: It is a stacking of identical close packed sheets which are shifted to each other, i.e. ABABABAB... Now, if you take the Fourier transform with a vector parallel to the z-Axis, this involves averaging of the potential along the sheets and then multiplying each sheet with exp(ikx), with k=2π/a so schematically:
##\sum \bar{V_A}+\bar{V_B}\exp(i2(\pi/a)\cdot a/2)=\sum \bar{V_A}-\bar{V_A}=0##. In the second step I used that the average potential of the sheets is identical.
 

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