Basic band theory question, free electron model

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Discussion Overview

The discussion revolves around the width of energy bands in a one-dimensional lattice as described by the free electron model. Participants explore the implications of a derivation related to energy levels and the relationship between the number of ions and the lattice constant.

Discussion Character

  • Exploratory, Technical explanation, Conceptual clarification, Debate/contested

Main Points Raised

  • One participant presents a derivation indicating that the width of the band depends on the lattice constant rather than the number of ions, questioning whether this represents the lowest energy band or if the derivation is flawed.
  • Another participant clarifies that in a one-dimensional lattice, the quantized momentum relates to the number of states, suggesting that the width is determined by the energy difference between consecutive states.
  • A third participant emphasizes that the free electron model does not exhibit band structure and that the energy levels described are not bands but rather individual energy levels, introducing the concept of Fermi energy.
  • This participant also notes that the electron density can be expressed in terms of the lattice constant, aligning with the initial derivation.

Areas of Agreement / Disagreement

Participants express differing views on whether the derivation pertains to band width or individual energy levels, and there is no consensus on the interpretation of the results within the context of the free electron model versus band theory.

Contextual Notes

The discussion highlights potential confusion regarding the definitions of energy levels and bands, as well as the assumptions underlying the free electron model and its applicability to band theory.

pierce15
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Hello,

I am trying to figure out the width of bands in a 1-dimensional lattice. Here is a short derivation from the book I am reading: if we approximate the free electrons as being in a square well then the energy levels are ## \frac{\pi^2 \hbar^2 n^2}{2mL^2}##. If there are ##N## ions separated by a distance ##a## in the metal, then ##N = L/a##. The number of energy levels in the band is ##N##, so $$E_\text{max} \approx \frac{\pi^2 \hbar^2 N^2}{2mL^2} = \frac{ \pi^2 \hbar^2}{2 ma^2},$$
since the lowest energy is nearly 0. Thus, the width of the band depends not on ##N##, but on ##a##.

I'm a bit confused about what the calculation actually says. My understanding was that there are many bands, and that the energy width of each successive band increases. Is this the calculation for the width of the lowest energy band? Or is this just a nonsense derivation?

Thank you for the help. In case you are curious, the source is Eisberg and Resnick, Quantum Physics of Atoms, Molecules, Solids, Nuclei, and Particles, which I have found to be a good source for nearly everything except results requiring math. (In fact, nearly every calculation requiring more than a page is relegated to a ~100 page long appendix.)
 
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pierce15 said:
If there are NNN ions separated by a distance aaa in the metal, then N=L/aN=L/aN = L/a. The number of energy levels in the band is NNN, so
Emax≈π2ℏ2N22mL2=π2ℏ22ma2,Emax≈π2ℏ2N22mL2=π2ℏ22ma2,​
E_\text{max} \approx \frac{\pi^2 \hbar^2 N^2}{2mL^2} = \frac{ \pi^2 \hbar^2}{2 ma^2},
since the lowest energy is nearly 0. Thus, the width of the band depends not on NNN, but on aaa.

in one dimensional lattic the quantized momentum k=( 2.Pi/L) n , therefor this n=0, 1,2,...+N/2 and -1,-2,...-N/2
so the width will be the energy difference between two consecutive states..
check in your expression n and N are identical or not.
 
This is for free electron (Fermi) gas in a box. There is no band structure in this model. You need to introduce interaction with lattice for that.
In this model (free electrons) you have energy levels (not bands), given by that formula, with various values of n.
What you have there is the highest energy level occupied by an electron, at zero Kelvin. It is called the Fermi energy.
If you want, you can consider all these levels as forming a band.
The value of this energy depends on the electron density (for 1D is just N/L) but you can write this density in terms of the lattice constant, as you did here.
 
Ah, I see. Thanks.
 

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