Volume of element in k-space

In summary, MJ's derivation of the density of states in a three dimensional crystal lattice is fairly straightforward if you are aware of the terms used. The dk/dE term is a spurious relation that arises from the counting of single particle energy eigenstates.
  • #1
Master J
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I've been trying to figure out the volume of an element in k-space (free electron gas in a crystal lattice).

In deriving the density of states, dn/dE = dn/dk . dk/dE. My dn = 4pi(k^2).dk / V, where V is the volume of an element in k-space.
I came across the spurious, Dk.Dx ~ 2pi (an uncertainty principle relation), where V was said to be (2pi)^3, but that UP doesn't make sense to me.


Could someone shed some light on this?

The ever so grateful MJ...
 
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  • #2
A relatively simple derivation follows from state counting. Consider a three dimensional cube with periodic boundary conditions and sides of length L. The single particle energy eigenstates are of the form exp(i k x) where k is given by [tex] k = \frac{2\pi}{L}(n_x, n_y,n_z)[/tex] with arbitrary integers n.

Summing over all these states can be written as [tex] \sum_n = \sum_{n_x,n_y,n_z} \Delta n_x \Delta n_y \Delta n_z = \sum_{n_x,n_y,n_z} \Delta k_x \Delta k_y \Delta k_z \left(\frac{L}{2 \pi}\right)^3 \rightarrow \frac{V}{(2\pi)^3} \int d^3 k [/tex].

Thus we may approximate sums over discrete single particles states in a big box via an integral over three dimensional k space with the measure [tex] \frac{V}{(2\pi)^3} d^3 k [/tex].

Is this what you were looking for?
 
  • #3
Ah, indeed.

The k value slightly confuses me tho. Should it not be k = pi / L (sorry I'm rubbish at LaTeX)??

If we let the electron wavefunction say be sin(kx) in the cube, with the condition taht it is zero at the edges, that gives k = n pi / L. Where does the 2 come from?
 
  • #4
I used periodic boundary conditions while you are using hard wall boundary conditions. It is true that in your case all the allowed values of k make are [tex] \pi n/L [/tex] but with n positive. Thus compared to my analysis you have a density of states of [tex]( L^3/\pi^3) d^3 k [/tex] but you're also allowed to only integrate over the totally positive k octant. In my formula I integrate over all 8 octants thus making up the missing factor of [tex] 2^3 = 8 [/tex].

Hope this helps.
 
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What is the volume of an element in k-space?

The volume of an element in k-space refers to the amount of space that a particular point or region occupies in k-space, which is a mathematical representation of the reciprocal space in crystallography.

Why is the volume of an element in k-space important?

The volume of an element in k-space is important in understanding the electronic properties of materials, as it determines the number of available states for electrons to occupy. This, in turn, affects the material's conductivity and other physical properties.

How is the volume of an element in k-space calculated?

The volume of an element in k-space is calculated by taking the product of the three dimensions of the reciprocal lattice vectors, also known as the Brillouin zone boundaries. This is typically represented as the inverse of the unit cell volume in real space.

Does the volume of an element in k-space change with temperature?

Yes, the volume of an element in k-space can change with temperature due to thermal expansion of the crystal lattice. This can affect the electronic band structure and other properties of the material.

How does the volume of an element in k-space differ from the volume in real space?

The volume of an element in k-space is a mathematical representation and does not have a physical dimension like the volume in real space. Additionally, the volume in k-space is proportional to the inverse of the unit cell volume in real space, unlike the actual physical volume in real space.

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