Empty Lattice approximation/Nearly-free electron model

In summary, the conversation is about understanding the periodicity of the dispersion in an energy equation. The first question asks for clarification on how the periodicity can be inferred from the equation, while the second question asks about the degeneracy of certain energy levels and how it relates to a real lattice. The response explains that the states ##\psi_k= \exp(ikx)## and ##\psi_{k'}=\exp(ik'x)## are degenerate and that in a real lattice, the degeneracy will be split once you go beyond the empty lattice approximation. The original person is still confused about how the graph was formed and is looking for an explanation.
  • #1
WWCY
479
12
Hi all, I am having trouble understanding the some ideas presented in some notes I've been reading, help is greatly appreciated!

I've uploaded screenshots of the material I'm referring to below, the last two images are what I'm mainly referencing, and the first few are to provide context (sufficiently I hope). Question 1: last image (empty-lattice approx)
By taking the potential terms to be 0, the energy was shown to be
$$E = \frac{\hbar^2 (\vec{q} - \vec{G'})}{2m}$$
Where ##\vec{q}## is some vector in the first Brillouin Zone and ##\vec{G'}## is a reciprocal translation vector that maps wavevector ##\vec{k}## back to ##\vec{q}##. The dispersion was then plotted out. However, how does one infer the periodicity of the dispersion from this energy equation? All I can tell is that ##q \in [- \pi / a , \pi/a)## and ##G## simply translates every ##k## outside of 1BZ back to some q, but all i can sketch out (E vs K) is a big parabola stretching to infinity as K gets larger. What should my thinking process be when making the sketch?

Question 2: last image (empty-lattice approx)

It was mentioned here on the figure that there were degenerate energy levels. However I can't see where this degeneracy comes from. In equation (136), all we have done is find out that the solution to the central equation (first image (131)),
$$ \psi( \vec{r} , \vec{q} ) = \sum_{ \vec{G'} } C_{ \vec{q}- \vec{G'} } e^{i ( \vec{q} - \vec{G'} ) \cdot \vec{r} } $$
has the energy dispersion given above. How does this imply any kind of degeneracy?

Many thanks in advance!

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  • #2
You should see that states ##\psi_k= \exp(ikx)## and ##\psi_{k'}=\exp(ik'x)## with ##k=\pi/a## and ##k'=-\pi/a## are degenerate. This does seem trivial, as it holds for any a. But the point is that in a real lattice, in the simplest case, there will be atoms with a spacing of a, and while the combination ##\psi_k+\psi_{k'}\sim \cos(kx)## will have maxima at the positions x=0,a,..., the other combination ##\psi_k-\psi_{k'}\sim \sin(kx) ## will be zero at these points. Hence once you go beyond the empty lattice approximation, the degeneracy will be split for the points on the boundary of the Brillouin zone.
 
  • #3
DrDu said:
You should see that states ##\psi_k= \exp(ikx)## and ##\psi_{k'}=\exp(ik'x)## with ##k=\pi/a## and ##k'=-\pi/a## are degenerate. This does seem trivial, as it holds for any a. But the point is that in a real lattice, in the simplest case, there will be atoms with a spacing of a, and while the combination ##\psi_k+\psi_{k'}\sim \cos(kx)## will have maxima at the positions x=0,a,..., the other combination ##\psi_k-\psi_{k'}\sim \sin(kx) ## will be zero at these points. Hence once you go beyond the empty lattice approximation, the degeneracy will be split for the points on the boundary of the Brillouin zone.
Hi , thank you for your reply. While I believe I see why ##\psi_{\pm k}= \exp(\pm ikx)## are degenerate states, I'm still slightly confused as to how the periodic graph was formed, all I can picture is a ##k^2## plot extending to infinity as ##k \rightarrow \pm \infty##, rather than the periodic plot given above. Could you explain why?

Thanks!
 

1. What is the Empty Lattice approximation?

The Empty Lattice approximation is a theoretical model used to describe the behavior of electrons in a crystal lattice. It assumes that the electrons are free to move within the lattice, and that their interactions with the lattice ions can be neglected. This simplification allows for easier calculations and predictions of electronic properties in solids.

2. How does the Empty Lattice approximation differ from the Nearly-free electron model?

The Empty Lattice approximation and the Nearly-free electron model are two different theoretical models used to describe the behavior of electrons in a crystal lattice. The main difference between them is that the Empty Lattice approximation assumes completely free electrons, while the Nearly-free electron model takes into account the periodic potential of the lattice ions on the electron motion.

3. What are the limitations of the Empty Lattice approximation?

The Empty Lattice approximation is a simplified model and therefore has some limitations. It does not take into account the interactions between electrons, which can be important in certain materials. It also neglects the effects of lattice vibrations and electron-electron correlations, which can play a significant role in the electronic properties of some materials.

4. How is the Empty Lattice approximation used in practical applications?

The Empty Lattice approximation is mainly used in theoretical calculations and predictions of electronic properties in solids. It is often used as a starting point for more complex models, and can provide valuable insights into the behavior of electrons in materials. However, it is not typically used in practical applications as it does not take into account all the factors that can affect electronic properties.

5. Can the Empty Lattice approximation be applied to all materials?

No, the Empty Lattice approximation is not suitable for all materials. It is most commonly used for simple metals and semiconductors, where the interactions between electrons can be neglected. It is not suitable for materials with strong electron-electron correlations, such as transition metals and insulators, where a more complex model is needed to accurately describe the electronic properties.

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