Fermi Surface & Band Diagram Relationship?

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SUMMARY

The relationship between energy band diagrams and Fermi surfaces is direct and critical for understanding electronic properties of materials. The highest occupied level (k_max) in a band diagram corresponds to points on the Fermi surface, which can be constructed by analyzing the band structure across various directions in the Brillouin Zone. A complete band structure, represented as E vs k, is essential for accurately determining the Fermi surface, particularly in complex materials like copper, where the band structure appears intricate. Resources that delve deeper into this relationship include studies on band structure calculations and Fermi surface visualization techniques.

PREREQUISITES
  • Understanding of energy band diagrams
  • Familiarity with Brillouin Zone concepts
  • Knowledge of band structure calculations
  • Experience with Fermi surface analysis
NEXT STEPS
  • Research E vs k band structure calculations using tools like VASP or Quantum ESPRESSO
  • Study Fermi surface visualization techniques in materials science
  • Explore the relationship between crystallographic directions and band structures
  • Examine case studies of Fermi surfaces in metals, particularly copper
USEFUL FOR

Materials scientists, condensed matter physicists, and anyone involved in electronic properties research will benefit from this discussion, particularly those focusing on the relationship between band structures and Fermi surfaces.

N8
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Can anyone help explain how one can apply information say from an energy band diagram of an element/compound to its respective fermi surface / "sphere"?

I understand there is a direct relationship, however, I can seem to physical interpret how one is able to say look at the energy band diagram and come out with a rough representation of what the fermi surface should look like...

Are there any resources that go in depth to this?

Any help is much appreciated.
 
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N8,

The highest occupied level (k_max) of a band-diagram corresponds to a point on the Fermi Surface. You could make a band diagram along any direction in the Brillouin Zone and the number of directions is infinite. So you could create a fermi surface if you determined k_max in all directions.

modey3
 
N8 said:
Can anyone help explain how one can apply information say from an energy band diagram of an element/compound to its respective fermi surface / "sphere"?

I understand there is a direct relationship, however, I can seem to physical interpret how one is able to say look at the energy band diagram and come out with a rough representation of what the fermi surface should look like...

Are there any resources that go in depth to this?

Any help is much appreciated.

Assuming that you truly mean the energy band diagram, then I'm not sure how you can. Such band diagram contains no k information, i.e. it has been integrated out.

To be able to get an idea of the actual Fermi surface, you need the full band structure, i.e. the E vs k diagram. For most real material, it can look like a "spaghetti" band structure, where various band lines are drawn along various crystallographic directions. For example, the "standard" band structure for Cu may look like this:

[PLAIN]http://www.personal.psu.edu/ams751/VASP-Cu/index_files/image010.jpg

[PLAIN]http://www.personal.psu.edu/ams751/VASP-Cu/index_files/image010.jpg

The Fermi surface will be formed by the occupied band that crosses the Fermi energy (E=0). So the k-values of the occupied band at the Fermi surface will form the Fermi surface.

Zz.
 
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