Fourier component crystal potential - physical significance

In summary, the conversation discusses the topic of periodic potentials in crystals, particularly the Fourier components of the shortest and double shortest reciprocal lattice vectors in the z-direction. The speaker also brings up the physical interpretation of these components and their vanishing or non-vanishing values. The conversation ends with a suggestion to examine the specific crystal structure and the explanation that it involves averaging the potential along the sheets.
  • #1
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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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  • #2
You should have a look at the specific structure you were considering. Try to sketch the arrangement of atoms in z-direction.
 
  • #3
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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  • #4
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.
 

Related to Fourier component crystal potential - physical significance

1. What is the Fourier component crystal potential?

The Fourier component crystal potential is a mathematical representation of the energy landscape of a crystal lattice. It describes the interactions between atoms or molecules in a crystal and can be used to understand the physical properties and behavior of the crystal.

2. How is the Fourier component crystal potential calculated?

The Fourier component crystal potential is calculated by taking the Fourier transform of the interatomic potential energy function. This involves breaking down the potential energy function into its component frequencies and amplitudes, which are then used to construct the Fourier component crystal potential.

3. What is the physical significance of the Fourier component crystal potential?

The Fourier component crystal potential is significant because it provides insight into the crystal's thermodynamic, mechanical, and electronic properties. It can also be used to predict the crystal's response to external stimuli, such as temperature changes or applied pressure.

4. How is the Fourier component crystal potential used in materials science?

The Fourier component crystal potential is commonly used in materials science to study the structure and properties of crystalline materials. It can be used to simulate the behavior of materials under different conditions and to design new materials with desired properties.

5. Can the Fourier component crystal potential be applied to non-crystalline materials?

While the Fourier component crystal potential is specifically designed for crystals, it can also be applied to non-crystalline materials by approximating their structure as a periodic array of atoms or molecules. However, the accuracy of the results may be limited in these cases.

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