Nearly free electron model - band gap

In summary, for a wavefunction at the Brillouin boundary, the hamiltonian is diagonalized using degenerate perturbation theory to find the eigenvalues (energies) of E_{\pm} = \epsilon_0 (\vec k) \pm |V_g|. This means that for every k on the boundary, there is a bandgap of 2|V_G|. However, the potential V_G is dependent on k, unlike in cases where it is periodic, resulting in increasing bandgaps with increasing k.
  • #1
unscientific
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For a wavefunction at the Brillouin boundary we have:

[tex]\langle k|H|k\rangle = \epsilon_0 (\vec k) [/tex]
[tex]\langle k'|H|k'\rangle = \epsilon_0 (\vec k+\vec G) [/tex]
[tex]\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 [/tex]
[tex]\langle k|H|k'\rangle = V_G^* [/tex]

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

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
 
  • #3
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})##.
 

1. What is the Nearly Free Electron Model?

The Nearly Free Electron Model is a simplified model used in solid-state physics to explain the behavior of electrons in a crystal lattice. It assumes that the electrons in a crystal lattice are free to move in a periodic potential created by the ions in the lattice.

2. What is the band gap in the Nearly Free Electron Model?

The band gap in the Nearly Free Electron Model is the energy range between the valence band and the conduction band. It represents the energy difference between the highest energy level of the valence band and the lowest energy level of the conduction band.

3. How does the band gap affect the electrical conductivity of a material?

The band gap plays a crucial role in determining the electrical conductivity of a material. Materials with a small band gap, or no band gap at all, are good conductors of electricity because their electrons can easily move from the valence band to the conduction band. On the other hand, materials with a large band gap, such as insulators, do not conduct electricity well because the electrons do not have enough energy to move to the conduction band.

4. Can the band gap of a material be changed?

Yes, the band gap of a material can be changed by altering the chemical composition, structure, or temperature of the material. For example, introducing impurities or defects in a material can change its band gap and its electrical conductivity.

5. How does the Nearly Free Electron Model relate to the actual behavior of electrons in a crystal lattice?

The Nearly Free Electron Model is a simplified model and does not fully capture the complexity of electron behavior in a crystal lattice. It neglects important factors such as electron-electron interactions and the effects of crystal defects. However, it provides a good approximation for understanding the electronic properties of materials and has been used successfully to explain many phenomena in solid-state physics.

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