Lecture 7: Tight binding: Density of states

I’m confused about the density of states.

So g(E) = \frac{L}{2 \pi \hbar} \sum |v_g|^-1. Where they say in the lecture notes we’re summing over possible values of k. Where I believe k = \frac{2 \pi p}{N a} with p \in \mathbb{Z}. And there are only N possible k’s.

First of all, I don’t understand where this equation comes from.

Secondly, I don’t see the sum being used in question 3 of exercise 1. Where they just seem to use v_g, for both k>0 and k<0. And add those together.

Could you help me understand where this density of states comes from and how the equation should be used?

I understand the confusion, as the “multiple definitions” of density of states can be pretty weird.
Here is a rather long and rigorous way to derive the given formula. It is not the fastest, nor prettiest, but for me it explained a lot.

For a system of length L with periodic boundary conditions we have that

k_n=\frac{2\pi n}{L}, \qquad n\in\mathbb Z .

The density of states tells us how many different k-states have an energy E. We can write this as a sum over n as followed:

g(E)=\sum_{n=-\infty}^{\infty}\delta\!\bigl(E-E(k_n)\bigr).

Check: Do you see why this counts the number of states which have the same energy E?

Because the allowed k-values are equally spaced (as we saw in the earlier weeks of the course),

\frac{dk}{dn}=\frac{2\pi}{L}, \qquad\Longrightarrow\qquad \sum_{n}\longrightarrow\int dn =\frac{L}{2\pi}\int_{-\infty}^{\infty}dk.

Therefore we can express the sum over n as an integral:

g(E)=\frac{L}{2\pi}\int_{-\infty}^{\infty} dk\;\delta\bigl(E-E(k)\bigr).

Now comes the tricky part. In most courses where we get introduced to the delta function we just have linear arguments. But now we have something of the form f(x)=\delta(g(x)). In this case the function gives a nonzero f(x) if g(x)=0, which happens for some undetermined amount of roots x_i, and 0 for all other x. Mathematically this means that (for one root)

\delta(g(x))=\frac{\delta\!\bigl(x-x_0\bigr)} {|g'(x_0)|}

For multiple roots, we just sum over all the roots.
(See proof: https://proofwiki.org/wiki/Composition_of_Dirac_Delta_Distribution_with_Function_with_Simple_Zero/Proof_1)

For the function f(k)=E-E(k) that has simple roots k_i=k_i(E) (from setting f(k) to 0), this becomes

\delta(f(k))=\sum_i\frac{\delta\!\bigl(k-k_i\bigr)} {|f'(k_i)|}
\delta\bigl(E-E(k)\bigr)= \sum_i\frac{\delta\!\bigl(k-k_i(E)\bigr)} {\Bigl| -\,\dfrac{dE}{dk}(k_i)\Bigr|}.

Substituting this back into the integral

g(E)=\frac{L}{2\pi}\sum_i\int dk\; \frac{\delta\!\bigl(k-k_i(E)\bigr)} {\bigl|\,\dfrac{dE}{dk}(k_i)\bigr|} =\frac{L}{2\pi}\sum_i \frac{1}{\bigl|\,\dfrac{dE}{dk}(k_i)\bigr|}.

We previously defined the group velocity as v_g(k)=\frac{1}{\hbar}\frac{dE}{dk} so \left| \frac{dE}{dk}(k_i)\right|=\hbar\,|v_g(k_i)|.
Therefore we arrive at the formula from the lecture notes.

g(E)=\frac{L}{2\pi\hbar} \sum_{k_i(E)}\frac{1}{|v_g(k_i)|}.

Now we see what we actually sum over. We sum over the the distinct solutions for E(k)=E. Not all possible k.

thank you very much. This was exactly what i needed

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For your second question:


Imagine drawing a horizontal line for each \omega. We see that between -\pi and \pi, there are just 2 solutions for each k. We also see that k<0 is exactly the mirror image of k>0, so if we determine the number of states for k>0 we can multiply it by 2 to obtain it for the entire range of -\pi<k<\pi. We restrict ourselves to this range, as outside this range we repeat the exact same k values due to periodicity. So all our information lies in this range. Indeed If you sum over all these additional roots, we would overcount the eigenstates infinitely many times. This is obviously wrong.

Btw, here is the straight forward way to derive it, and a nice explanation for what to sum over:
Tight binding DOS different in notes than from book?