Why Do Free Electron Energy Levels Appear as Multiple Parabolas?

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SUMMARY

The discussion addresses the discrepancy between the expected single parabola energy level from the free electron model and the multiple parabolas observed in band calculations. It clarifies that the extended zone scheme assumes fixed periodicity in the real space lattice, leading to periodicity in reciprocal space. In contrast, the free electron model lacks finite periodicity, resulting in an infinite reciprocal space periodicity. This distinction is crucial for understanding how free electron models serve as a foundational comparison for real band structures.

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  • Understanding of solid state physics concepts
  • Familiarity with the free electron model
  • Knowledge of reciprocal lattice and periodicity
  • Basic grasp of band theory in materials science
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  • Study the extended zone scheme in solid state physics
  • Explore the implications of periodic potentials on electron energy bands
  • Review band structure comparisons in materials science
  • Examine the mathematical derivation of energy levels in the free electron model
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Students and professionals in solid state physics, materials scientists, and anyone interested in understanding the behavior of electrons in periodic potentials and band structures.

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In many textbooks and sites of solid state physics energy levels for the free electron approximation in band calculations are displayed. The result is a collection of many parabolas, each of these parabolas being centered on a site of the reciprocal lattice.
This is not anyway the picture that should emerge from the free electron solution where we should find a single parabola with vertex at k=0.
Can anyone help me explain this discrepancy?
Thanks a lot
 
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I'm not quite sure what you're asking, but it sounds like you're comparing the extended zone scheme to the free electron theory? The extended zone scheme (or any zone scheme) assumes that there is a fixed periodicity in your real space lattice, ie. the potential V(x+a) = V(x) with a > 0. This gives a periodicity in reciprocal space, in 1D the periodicity is g = 2\pi/a. This gives us a periodicity in the energy bands, \varepsilon(k) = \varepsilon(k+g). But the truly free electron model doesn't have just a finite periodicity, it has an infinitesimal periodicity, so V(x+a) = V(x) for any arbitrarily small a. If you put this into reciprocal space by taking the limit as a -> 0, you would find that g \rightarrow \infty, destroying the periodicity in reciprocal space.

So the thing to remember is that with the free electron model applied to a lattice, we assume the potential has some fixed finite periodicity, but we neglect the actual effect of that potential on the electron energy bands. This is done as a starting point for learning about reciprocal space, and it also provides something to compare real band structures to in order to see how free-electron like they are. For instance, compare the band structures on page 6 of http://www.mse.ncsu.edu/WideBandgaps/classes/MSE%20704/Handouts/BZs&Bands.pdf" .
 
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Ok that was exactly what I was asking.. I think this point is quite subtle.. thanks a lot for the explanation
 

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