Dispersion relation for the free electron model

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SUMMARY

The discussion centers on the dispersion relation derived from the free electron model, specifically the wavefunctions represented as plane waves of the form ψκ(→) = eiκ•→. The periodicity of the lattice leads to quantized values of κx,y,z = 2nπ/a, where n is the quantum number. The energy eigenvalues are expressed as E = ℏ2κ2/2m. The discussion raises questions about the relationship between the quantum number n and the Brillouin zone, particularly regarding electron occupancy and the significance of plotting dispersion relations within the first Brillouin zone.

PREREQUISITES
  • Understanding of the free electron model in solid-state physics
  • Familiarity with wavefunctions and Schrödinger equation
  • Knowledge of Brillouin zones and their significance in crystallography
  • Basic grasp of quantum mechanics concepts, including energy eigenvalues
NEXT STEPS
  • Study the implications of the Brillouin zone in solid-state physics
  • Learn about the role of nodes in wavefunctions and their physical significance
  • Explore the concept of reciprocal space and its applications in material science
  • Investigate the relationship between quantum numbers and electron occupancy in bands
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Students and researchers in solid-state physics, particularly those studying electronic properties of materials and the behavior of electrons in periodic potentials.

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I'm trying to get my head around what this means exactly. I've plotted the graph to help verse me with the functions that I've derived.

From the free electron model, the wavefunctions are treated as planewaves of the form

\psi_\mathbf{k}(\mathbf{r}) = e^{i\mathbf{k}\cdot\mathbf{r}}

Due to the lattice being periodic, the wavefunction needs to be periodic and this occurs for values of k_{x,y,z} which are of the form

<br /> k_{x,y,z} = \frac{2n\pi}{a}<br />

When you solve the Schrödinger equation with this wavefunction, the energy eigenvalues are of the form

E = \frac{\hbar^2 k^2}{2m}

which I've plotted as a dispersion relation to give:

TlNtCn6.png


Here's where I'm trying to wrap my head around this. What exactly are we looking at here? Obviously, this is in reciprocal space. n is the quantum number but is it also the brillouin zone index? For n=1, two electrons can occupy that band, does that mean they're restricted to the first brillouin zone? For n=2, are they restricted to the second brillouin zone? Why do so many texts plot the dotted lines the way I've done it (inside the first brillouin zone). What consequence is this?

Thank you

[edit] just to add, I'm working through chapter 6 of Kittel.
 
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It's another way of classifying the wavefunctions. The wavefunctions corresponding to the dotted lines have one or more nodes inside every elementary cell (at least their real and imaginary part individually). So you can label the wavefunctions instead of the value of k, by ##k \mod 2\pi/a## and the number of nodes n. This characterization will be possible also when the electrons are not free.
 

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