Free Electron Model: Why periodic boundary conditions and what is L ?

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Discussion Overview

The discussion revolves around the interpretation of the parameter "L" in the context of the quantum free electron model for electrons in solids, specifically regarding the use of periodic boundary conditions and its implications for the Fermi Energy calculation in one-dimensional systems.

Discussion Character

  • Exploratory
  • Debate/contested
  • Mathematical reasoning

Main Points Raised

  • One participant questions whether "L" represents the length of the metal or the periodicity of the lattice, suggesting that "L" might be the distance between each square well.
  • Another participant acknowledges the confusion regarding "L" in relation to the density of states function and its role in deriving the Fermi Energy, noting that "L" appears to relate to the length of the metal when integrating the density of states.
  • A different participant emphasizes that not all instances of "L" are the same, indicating that in some contexts, "L" is related to the size of the solid rather than periodicity.
  • One participant reflects on their understanding of "N," suggesting that it may refer to the number of electrons per unit cell rather than the total number of electrons in the metal, which leads to a reinterpretation of "L" as the size of the unit cell.

Areas of Agreement / Disagreement

Participants express differing views on the interpretation of "L," with some suggesting it relates to the periodicity of the lattice and others arguing it pertains to the size of the metal or unit cell. The discussion remains unresolved regarding the precise definition of "L" and its implications.

Contextual Notes

There are limitations in the assumptions about "N" and its relation to the total number of electrons versus the number per unit cell, which affects the interpretation of "L." Additionally, the discussion highlights the dependence on context for the meaning of "L" in different equations.

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Free Electron Model: Why periodic boundary conditions and what is "L"?

Right, hello!

The quantum free electron model for electrons in solids (in One dimension) says we need to use periodic boundary conditions such that if Y(x) is the wavefunction, then Y(x) = Y(x+L).

Where L seems to be the width of the infinite square potential well used to derive the wavefunction and associated energy eigenvalues.

Now I realize that the periodic boundary conditions relates to the periodic lattice but, if L is the length of the 1D metal, then surely x+L is outside of the metal?

If L actually relates to some very small length inside the lattice, perhaps the size of a unit cell, then why when deriving the Fermi Energy do we use n=N/L where N is the total number of electrons in the metal and n is the number per unit length.

So my question really is, what is "L"?

Thanks

PS how do I use greek and other symbols here?
 
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Are you sure "L" is the length of the metal? It appears from the periodicity of the wavefunction that "L" is the distance between each square well, i.e. the periodicity of the lattice. That's why the wavefunction repeats itself every chance of x equaling to L.

Zz.
 


Yes that makes more sense, but if you derive the Fermi Energy in 1D, you will start with the density of states function in 1D which has an "L" in it, which appears to relate to the periodicity of the lattice as you say.

However, when you do derive the Fermi Energy by integrating the density of states up to the Fermi Energy and set this integral equal to the total number of electrons in the metal, N, and rearranging for the Fermi Energy, you will have a (N/L)^2 in your formula. n=N/L is then substituted in, where n is the number of electrons per unit length, suggesting L is the length of the metal.

Thats where I'm confused.
 


All "L's" are not created equal.

In the latter, there's no periodicity. So that "L" is related to the size of the solid. Do not focus on the symbol. Focus on what the symbol represents.

Zz.
 


Hmm yes I think you are right given what I have told you, but I think I have misunderstood something and given you wrong information.

I think my problem was with N. I think N is not the total electrons in the metal, but just the number per unit cell, which means N/L does give me the number per unit length, because L is the size of the cell.

So if N was 2 electrons per cell, and L was 1 Angstrom, then 2/1Ang = 2x10^10 electrons per unit length.

I think that makes sense. Thanks.
 

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