Empty Lattice approximation/Nearly-free electron model

Click For Summary
SUMMARY

The discussion centers on the Empty Lattice Approximation and the Nearly-Free Electron Model in solid-state physics. The energy equation derived is \(E = \frac{\hbar^2 (\vec{q} - \vec{G'})}{2m}\), where \(\vec{q}\) is a vector in the first Brillouin Zone and \(\vec{G'}\) is a reciprocal lattice vector. Participants explore the periodicity of the energy dispersion and the concept of degeneracy in energy levels, particularly how states \(\psi_k\) and \(\psi_{k'}\) with \(k = \pi/a\) and \(k' = -\pi/a\) exhibit degeneracy that is split in real lattices beyond the empty lattice approximation.

PREREQUISITES
  • Understanding of solid-state physics concepts, particularly Brillouin Zones
  • Familiarity with wave functions and their mathematical representations
  • Knowledge of reciprocal lattice vectors and their significance in crystallography
  • Basic grasp of energy dispersion relations in quantum mechanics
NEXT STEPS
  • Study the derivation of energy dispersion relations in the Nearly-Free Electron Model
  • Explore the implications of degeneracy in quantum states and its physical significance
  • Learn about the role of lattice periodicity in solid-state systems
  • Investigate the effects of potential energy terms on electron behavior in lattices
USEFUL FOR

Students and researchers in solid-state physics, particularly those focusing on electronic properties of materials and the behavior of electrons in periodic potentials.

WWCY
Messages
476
Reaction score
15
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!

Screen Shot 2018-11-21 at 12.38.37 AM.png

Screen Shot 2018-11-21 at 12.39.36 AM.png
Screen Shot 2018-11-21 at 12.37.48 AM.png
 

Attachments

  • Screen Shot 2018-11-21 at 12.39.36 AM.png
    Screen Shot 2018-11-21 at 12.39.36 AM.png
    46.8 KB · Views: 1,110
  • Screen Shot 2018-11-21 at 12.38.37 AM.png
    Screen Shot 2018-11-21 at 12.38.37 AM.png
    22 KB · Views: 1,062
  • Screen Shot 2018-11-21 at 12.37.48 AM.png
    Screen Shot 2018-11-21 at 12.37.48 AM.png
    63.1 KB · Views: 1,133
  • Screen Shot 2018-11-21 at 12.41.15 AM.png
    Screen Shot 2018-11-21 at 12.41.15 AM.png
    52.2 KB · Views: 594
Physics news on Phys.org
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.
 
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!
 

Similar threads

  • · Replies 5 ·
Replies
5
Views
3K
  • · Replies 3 ·
Replies
3
Views
3K
  • · Replies 1 ·
Replies
1
Views
4K
  • · Replies 4 ·
Replies
4
Views
3K
  • · Replies 0 ·
Replies
0
Views
3K
  • · Replies 0 ·
Replies
0
Views
1K
  • · Replies 1 ·
Replies
1
Views
9K
  • · Replies 6 ·
Replies
6
Views
6K
  • · Replies 2 ·
Replies
2
Views
2K
  • · Replies 1 ·
Replies
1
Views
6K