How to Find the Shortest Distance to the Brillouin Zone Boundary?

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SUMMARY

The discussion centers on calculating the shortest distance to the Brillouin Zone (BZ) boundary for body-centered cubic (BCC) and face-centered cubic (FCC) lattices. The shortest distance to the BZ boundary is determined to be |b_i|/2, where |b_i| represents the primitive reciprocal lattice vectors. For BCC, this distance is calculated as √2(π/a), while for FCC, it is √3(π/a). The relationship between electron energy and BZ boundary distance is clarified, emphasizing that proximity to the BZ boundary does not guarantee the lowest energy state.

PREREQUISITES
  • Understanding of Brillouin Zones and their significance in solid-state physics.
  • Familiarity with reciprocal lattice vectors and their calculations.
  • Knowledge of body-centered cubic (BCC) and face-centered cubic (FCC) crystal structures.
  • Basic concepts of electron energy levels and Fermi surfaces in solid materials.
NEXT STEPS
  • Study the derivation of primitive reciprocal lattice vectors for various crystal structures.
  • Learn about the implications of the Fermi surface shape on electron behavior in solids.
  • Explore visual resources for Brillouin Zone construction and electron energy comparisons.
  • Investigate the effects of potential on electron energy levels in different lattice types.
USEFUL FOR

Physicists, materials scientists, and students studying solid-state physics who are interested in understanding Brillouin Zones, electron behavior in crystal lattices, and the relationship between lattice structure and electronic properties.

Robbas
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Hi, I just can't understand the basics with BZ.

How do I find the shortest distance to the BZ boundary, how do I compare the electron energy between the last electron in the 1st BZ with the first electron in the 2nd BZ?

I think I need a visual how to calculate these things, does anyone know any good site with illustrations?

Here's an example:
Q: For what minimum electron concentration Z does the free electron Fermi sphere touch the first Brillouin zone boundary of a BCC metal?
A: Calculating the primitive reciprocal lattice vectors b_i of BCC we find the shortest distance to the BZ boundary |b_i|/2 = √2(π/a).

How do I know the shortest distance is |b_i|/2? From here I know how to finish.

If someone could show me some examples how to solve these types of questions I would be grateful!

Sorry for any grammatic errors, English is not my native language.
 
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Perhaps this will help.

http://www.msm.cam.ac.uk/doitpoms//tlplib/brillouin_zones/zone_construction.php
 
Last edited by a moderator:
Thanks for your reply.

Actually I know how to draw the BZ in 2D-lattice, it's just like the WZ-cell.

How do I apply this to calculate the shortest distance to the 1st BZ for a BCC or FCC?
Is it always half of the reciprocal lattice vectors b_i? Or is that specific for a BCC?

Do I understand this correct:
For a BCC is the shortest dist to the 1st BZ .5*(2pi/a)*|0,1,1|=sqrt(2)*pi/a
and for FCC .5*(2pi/a)*|1,1,1|=sqrt(3)*pi/a?
 
The shortest distance to the BZ doesn't necessarily mean it will have the lowest energy. Only if you make the assumption that the Fermi surface is a sphere (for free electrons), which isn't true when you have a potential.
 

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