From sum to integral in solid state

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Discussion Overview

The discussion revolves around the transition from summation to integration in solid state physics, particularly focusing on the mathematical expressions used to relate sums over wave vectors to integrals in different dimensions. Participants explore the conditions under which these transformations hold, particularly in relation to isotropy in the crystal lattice.

Discussion Character

  • Technical explanation
  • Debate/contested
  • Mathematical reasoning

Main Points Raised

  • One participant presents the relationship between summation over wave vectors and integration in three dimensions, noting the integral is taken over the first Brillouin zone.
  • Another participant specifies that the transformation to an integral form is valid only if the function F(p) is isotropic, meaning it does not depend on angles.
  • There is a query about the appropriate integral expression in one dimension, with a suggestion that it may not include factors of π.
  • A participant points out a typographical error regarding the spelling of "Brillouin" and expresses concern about potential confusion with the term "irreducible Brillouin zone."
  • Another participant provides an example of a non-isotropic crystal lattice, explaining that in real crystals, symmetry is often cubic, which affects the energy-momentum relationship.
  • Clarification is provided that the absence of π in the one-dimensional case is due to the lack of angular integration, which is present in higher dimensions.

Areas of Agreement / Disagreement

Participants generally agree on the mathematical relationships discussed, but there is no consensus on the implications of isotropy and how it affects the expressions in different dimensions. The discussion remains unresolved regarding the specific integral form in one dimension.

Contextual Notes

Participants mention limitations regarding the isotropy of F(p) and the implications for the density of states in non-isotropic materials, highlighting the complexity of real crystal structures.

Petar Mali
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In solid state we often have case

[tex]\sum_{\vec{k}}F(\vec{k})=\frac{V}{h^3}\int_{I bz} F(\vec{p})d^3\vec{p}[/tex]

Integral goes into first Briolen zone.


We can always say that


[tex]\frac{V}{h^3}\int_{I bz} F(\vec{p})d^3\vec{p}=4\pi \frac{V}{h^3}\int^{\infty}_{0}F(p)p^2dp[/tex]

In 2D we will have integral

[tex]\frac{S}{h^2}\int_{I bz} F(\vec{p})d^2\vec{p}[/tex]

where [tex]d^2\vec{p}=2\pi pdp[/tex]

Am I right?

Can you tell me what I will have in 1D? Thanks!
 
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Petar Mali said:
We can always say that
[tex]\frac{V}{h^3}\int_{I bz} F(\vec{p})d^3\vec{p}=4\pi \frac{V}{h^3}\int^{\infty}_{0}F(p)p^2dp[/tex]

Only if F(p) is isotropic, i.e., it does not depend on angles.

In 2D we will have integral
[tex]\frac{S}{h^2}\int_{I bz} F(\vec{p})d^2\vec{p}[/tex] where [tex]d^2\vec{p}=2\pi pdp[/tex]

Again, only if F(p) is isotropic, i.e., it does not depend on angles.
Can you tell me what I will have in 1D? Thanks!

L/h*...*dp
 
Petar Mali said:
In solid state we often have case

[tex]\sum_{\vec{k}}F(\vec{k})=\frac{V}{h^3}\int_{I bz} F(\vec{p})d^3\vec{p}[/tex]

Integral goes into first Briolen zone.

Two other tiny comments: 1) It's spelled "Brilluoin" not "Briolen"; 2) I might not use the letters "I bz" to mean "first Brillouin zone" since it might be confused with "irreducible Brillouin zone". Cheers.
 
Bob_for_short said:
Only if F(p) is isotropic, i.e., it does not depend on angles.

In 2D we will have integral


Again, only if F(p) is isotropic, i.e., it does not depend on angles.


L/h*...*dp

When I don't have isotropy in crystal lattice? Some example!

So you say

[tex]\sum_kF(k)=\frac{L}{h}\int^{\infty}_0dpp[/tex]

?

I don't have some [tex]\pi[/tex] or something?
 
olgranpappy said:
Two other tiny comments: 1) It's spelled "Brilluoin" not "Briolen"; 2) I might not use the letters "I bz" to mean "first Brillouin zone" since it might be confused with "irreducible Brillouin zone". Cheers.

Thanks! Yes I meant first Brilluoin zone! I will have that in mind. And what is irreducible Brilluoin zone?
 
Petar Mali said:
When I don't have isotropy in crystal lattice? Some example!

In any real crystal the symmetry is at most cubic not completely isotropic. For example, in simple cubic polonium there will not be a spherical fermi surface--the energy is not a quadratic function of the momentum but rather will have cubic terms. Thus, the expression for the DOS in polonium would be an example of a sum in momentum space in which the integrand is not isotropic.
 
Petar Mali said:
...I don't have some [tex]\pi[/tex] or something?
No, in 1D case there is no pi. 2*pi and 4*pi arise from integration over angles. In case of 3D space the total solid angle is 4*pi. In 2D space the total angle is 2*pi. They follow from definition of dp.
 

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