Can we have band gap anywhere?

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SUMMARY

The discussion centers on the existence and location of band gaps in solid-state physics, specifically addressing the discrepancies between theoretical predictions and observed phenomena. It is established that band gaps can occur at various points within the Brillouin zone, including the center (Gamma point) and borders, as evidenced in materials like GaAs. Key texts referenced include "Solid State Physics" by Ashcroft and Mermin, and Liboff's quantum textbook, which provide insights into the role of weak periodic potentials and perturbation theory in band gap formation.

PREREQUISITES
  • Understanding of Brillouin zones and their significance in solid-state physics
  • Familiarity with weak periodic potentials and their effects on electronic band structure
  • Knowledge of perturbation theory as applied in quantum mechanics
  • Basic concepts of Fermi's golden rule and its application in transition rates
NEXT STEPS
  • Study "Solid State Physics" by Ashcroft and Mermin, focusing on chapter 9 regarding electrons in weak periodic potentials
  • Explore Liboff's quantum textbook for detailed derivations of band gaps using perturbation theory
  • Research the application of VASP and WIEN2k for band structure calculations in solid-state materials
  • Investigate the implications of Fermi's golden rule in the context of band gap formation and transitions
USEFUL FOR

Physicists, materials scientists, and students in solid-state physics who are interested in understanding the complexities of electronic band structures and the factors influencing band gap locations.

hokhani
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According to solid state texts in Brillouin zone borders where diffraction condition satisfies we have a band gap. However I usually see Band gaps which are located in the center of Brillouin zone. Please correct me if I am wrong.
 
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which text are you reading?
 
rigetFrog said:
which text are you reading?

In "solid state physics, Ashcroft - Mermin, chapter 9, electrons in a weak periodic potential", it is explained that due to weak perturbation we have energy gap at Brillouin zone border. Moreover we now for example that in GaAs the energy gap is at K=0 (Gamma point) which is not at the Brillouin zone border.
 
I'm sure where to start.

Do you understand how a weak periodic potential gives rise to a bandgap?

Liboff's quantum textbook has a nice derivation using perturbation theory.

Alternatively, you could use Fermi's golden rule using the weak periodic potential at the perturbing hamiltonian.
 
rigetFrog said:
I'm sure where to start.

Do you understand how a weak periodic potential gives rise to a bandgap?

Liboff's quantum textbook has a nice derivation using perturbation theory.

Alternatively, you could use Fermi's golden rule using the weak periodic potential at the perturbing hamiltonian.

What do you mean? Is there any direct relationship between "how a weak periodic potential gives rise to a bandgap" and "where a band gap is" ?
In many cases, the band gap is indeed not at the high symmetry points or located in the boundaries of the Brillouin zones (using vasp or wien2k, for examples),is it ?
Another, what is "Fermi's golden rule" ? Is it related to band gap ?
http://en.wikipedia.org/wiki/Fermi's_golden_rule "In quantum physics, Fermi's golden rule is a way to calculate the transition rate (probability of transition per unit time) from one energy eigenstate of a quantum system into another energy eigenstate, due to a perturbation."
 
You are perfectly right, In a solid, you can find the bandgap at the center of the BZ. It is easy to find a tight-binding model with just two orbitals per unit cell having the gap at the center of the BZ. It is also true that, starting from free electrons, with a parabolic dispersion relation, and considering the periodic potential as a perturbation, the gap shows up necessarily at the border of the BZ.
 
Starting from a free electron picture, the only region where you would expect bands to cross is at the BZ. This degeneracy is usually lifted when a periodic potential is present. So if you define the band gap as the minimal distance between two bands, you will find a band gap only, if the degeneracy at the BZ is lifted. This does not preclude the situation that in real solids with strong potentials the minimal distance between the bands is not at the BZ, but e.g. at its center.
 

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