Nearly free electron model - band gap

Click For Summary
SUMMARY

The discussion centers on the nearly free electron model and its implications for band gaps at the Brillouin boundary. It establishes that the eigenvalues, derived using degenerate perturbation theory, yield a bandgap of ##2|V_G|##. The participant notes a discrepancy where the bandgap increases with ##k## for a periodic perturbation, suggesting that the potential ##V_G## is not constant but rather dependent on ##k##. This highlights the importance of periodic potentials in determining bandgap behavior.

PREREQUISITES
  • Understanding of quantum mechanics, specifically wavefunctions and Hamiltonians.
  • Familiarity with the Brillouin zone and band theory in solid-state physics.
  • Knowledge of degenerate perturbation theory and its application in quantum systems.
  • Concept of periodic potentials and their effects on electronic properties in materials.
NEXT STEPS
  • Study the implications of periodic potentials on band structure in solid-state physics.
  • Explore advanced topics in degenerate perturbation theory and its applications in quantum mechanics.
  • Investigate the mathematical formulation of the Brillouin zone and its significance in electronic band theory.
  • Learn about the effects of varying potentials on band gaps in different materials.
USEFUL FOR

Physicists, materials scientists, and students studying solid-state physics, particularly those interested in electronic properties and band structure analysis.

unscientific
Messages
1,728
Reaction score
13
For a wavefunction at the Brillouin boundary we have:

\langle k|H|k\rangle = \epsilon_0 (\vec k)
\langle k'|H|k'\rangle = \epsilon_0 (\vec k+\vec G)
\langle k'|H|k\rangle = V_G = \frac{1}{L^3} \int e^{i(\vec k - \vec k') \cdot \vec r} V(r) d\vec r
\langle k|H|k'\rangle = V_G^*

Using degenerate perturbation theory, we diagonalize the hamiltonian and find the eigenvalues (energies) to be:
E_{\pm} = \epsilon_0 (\vec k) \pm |V_g|

This would mean that for every ##k## right on the boundary we have a bandgap of ##2|V_G|##.Since ## V_G = \frac{1}{L^3} \int e^{i(\vec k - \vec k') \cdot \vec r} V(r) d\vec r##, shouldn't its magnitude be fixed at ##2|V_G##? However, in my notes for a periodic perturbation ##V_G = \tilde V cos(\frac{2n\pi}{a})## the gaps are increasing with ##k## (The bandgap at ##k=\frac{2\pi}{a}## seems to be twice as big as the bandgap at ##k=\frac{\pi}{a}##.

freeelectron1.png
 
Thanks for the bump greg. I think the potential here depends on ##k##, even though not stated. The constant band-gap thing only works when the potential is periodic like ##
V_G = \tilde V cos(\frac{2n\pi}{a})##.
 

Similar threads

  • · Replies 5 ·
Replies
5
Views
3K
  • · Replies 4 ·
Replies
4
Views
6K
  • · Replies 2 ·
Replies
2
Views
4K
  • · Replies 5 ·
Replies
5
Views
5K
  • · Replies 7 ·
Replies
7
Views
2K
  • · Replies 13 ·
Replies
13
Views
3K
  • · Replies 1 ·
Replies
1
Views
9K
  • · Replies 3 ·
Replies
3
Views
2K
  • · Replies 8 ·
Replies
8
Views
2K
  • · Replies 2 ·
Replies
2
Views
2K