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

In summary, 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). 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
  • #1
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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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  • #2


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.
 
  • #3


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.
 
  • #4


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.
 
  • #5


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.
 

1. Why are periodic boundary conditions necessary in the Free Electron Model?

Periodic boundary conditions are necessary in the Free Electron Model because they allow us to simulate an infinite crystal lattice with a finite number of electrons. This is important because it allows us to make predictions about the properties of materials, such as electrical conductivity, without having to consider an infinite number of electrons.

2. What do periodic boundary conditions mean in the context of the Free Electron Model?

In the Free Electron Model, periodic boundary conditions mean that the wavefunction of an electron is repeated periodically throughout the crystal lattice. This allows us to treat the electrons as if they are moving in a continuous periodic potential, rather than a discrete set of lattice points.

3. How do periodic boundary conditions affect the energy levels in the Free Electron Model?

Periodic boundary conditions cause the energy levels in the Free Electron Model to form a continuous band, rather than discrete energy levels. This is known as the energy band structure, and it is a key feature of the Free Electron Model that allows us to understand the electronic properties of materials.

4. What is the significance of the size of the simulation box (L) in the Free Electron Model?

The size of the simulation box (L) in the Free Electron Model is significant because it determines the spacing between the energy levels in the energy band structure. A larger L corresponds to a smaller spacing between energy levels, and vice versa. This spacing affects the electronic properties of materials, such as their electrical conductivity and optical properties.

5. How do periodic boundary conditions affect electron scattering in the Free Electron Model?

In the Free Electron Model, periodic boundary conditions do not allow for any scattering of electrons. This is because the electrons are treated as if they are moving in a perfect crystal lattice with no impurities or defects. However, in reality, electron scattering does occur due to imperfections in the crystal structure, and this is taken into account in more advanced models of materials.

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