How many bands does a solid have?

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Discussion Overview

The discussion revolves around the concept of energy bands in solids, particularly focusing on the number of bands, their completeness, and the implications for quantum mechanics. Participants explore the relationship between the bands near the Fermi surface and the overall band structure of solids, including the completeness of eigenwavefunctions.

Discussion Character

  • Exploratory
  • Technical explanation
  • Debate/contested

Main Points Raised

  • Some participants propose that while solids theoretically have infinitely many energy levels, only the bands near the Fermi surface are typically discussed.
  • There is a question regarding the completeness of eigenwavefunctions when considering only certain bands, such as Gamma25', and whether this leads to a complete basis in quantum mechanics.
  • One participant asserts that all wavefunctions in solids are approximate due to the complexity of many atoms involved.
  • Another participant clarifies that the lines in band structure diagrams represent dispersion curves for each band, not eigenstates or basis functions.
  • It is noted that while there are infinitely many bands, most are unoccupied, which raises questions about their relevance in practical scenarios.

Areas of Agreement / Disagreement

Participants express differing views on the nature of eigenwavefunctions and the completeness of basis sets in quantum mechanics. There is no consensus on whether using only certain bands can lead to a complete basis, indicating an unresolved debate.

Contextual Notes

The discussion highlights limitations in understanding the relationship between band structure and quantum mechanics, particularly regarding the definitions and roles of eigenstates and basis functions. Some assumptions about the tight-binding approximation and its implications for band structure are also noted but remain unresolved.

howl
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Usually, we only talk about the band near Fermi surface, but we know that atom could have infinite levels, so, for a solid, does it have infinite levels too? So, if we only talk about the levels near Fermi surface, are the eigenwavefunctions complete?
 
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howl said:
Usually, we only talk about the band near Fermi surface, but we know that atom could have infinite levels, so, for a solid, does it have infinite levels too? So, if we only talk about the levels near Fermi surface, are the eigenwavefunctions complete?

I'm not sure what you mean by your question on whether "... the eigenwavefunctions complete". ALL wavefunctions in solids are approximate, because you are dealing with a lot of atoms here.

In any case, I do not know if you are aware of the band structure of solids. For example, are you familiar with the band structure shown in the figures in this link?

http://what-when-how.com/electronic...stals-fundamentals-of-electron-theory-part-3/

Each of those lines are the bands (E vs. k) in a particular solid. The simplified band diagram that most people are familiar with are the ones where the momentum (k) has been integrated out, leaving only the energy values E.

Zz.
 
ZapperZ said:
I'm not sure what you mean by your question on whether "... the eigenwavefunctions complete". ALL wavefunctions in solids are approximate, because you are dealing with a lot of atoms here.

In any case, I do not know if you are aware of the band structure of solids. For example, are you familiar with the band structure shown in the figures in this link?

http://what-when-how.com/electronic...stals-fundamentals-of-electron-theory-part-3/

Each of those lines are the bands (E vs. k) in a particular solid. The simplified band diagram that most people are familiar with are the ones where the momentum (k) has been integrated out, leaving only the energy values E.

Zz.
In your link, there are some bands, for instance,Si. The electrons occupy the lowest bands under Fermi surface. For example, the band marked Gamma25', while Gamma15 and Gamma2' are empty. In QM, we should use up all eigenstates to build up a complete basis, then , if we only use Gamma25', could we build a complete basis?
 
howl said:
In your link, there are some bands, for instance,Si. The electrons occupy the lowest bands under Fermi surface. For example, the band marked Gamma25', while Gamma15 and Gamma2' are empty. In QM, we should use up all eigenstates to build up a complete basis, then , if we only use Gamma25', could we build a complete basis?

I am very puzzled by this post.

Those lines represent the dispersion curve for each band. They are not "eigenstates", or basis functions.

I need to take a few steps back. When you do a tight-binding approximation, you take into account as many "neighbors" that you need to come up with an accurate enough band structure. You end up with the dispersion curve similar to what you see in those figures. Do you know of this?

Zz.
 
You are right, in principle, there are infinitely many bands in a solid, however, most of them are unoccupied.
 
howl said:
In QM, we should use up all eigenstates to build up a complete basis, then , if we only use Gamma25', could we build a complete basis?
Of course not.
 

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