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Verified Commit f5ea076c authored by Anton Akhmerov's avatar Anton Akhmerov
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formatting and rephrasing

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......@@ -37,6 +37,7 @@ In the previous lecture, we observed that the diatomic molecule's bonding energy
However, the trend is unphysical; the two atoms must start repelling eventually (at least when the nuclei get close, but really already much earlier).
![](figures/bonding_with_repulsion.svg)
Hence from now on, we consider an interatomic repulsion between atoms that get sufficiently close.
## First steps towards phonons
......@@ -45,13 +46,11 @@ The atoms are in equilibrium at the botom of the interatomic potential.
Let the bottom of the potential be $U = U_0$ at the interatomic distance $r = a$.
![](figures/interatomic_interaction.svg)
<!--
Change delta_r to r in figrue and convert to python format
-->
Near the minimum, the potential is approximately parabolic. We show this by Taylor expanding the interatomic potential around the minimum:
$$
U = U_0 + \frac{\kappa}{2!} (r - a)^2 - \frac{\kappa_3}{3!} (r - a)^3 + \ldots
U = U_0 + \frac{\kappa}{2!} (r - a)^2 - \frac{\kappa_3}{3!} (r - a)³ +
$$
Up to second order, the potential is quadratic and gives rise to a harmonic equations of motion.
......@@ -68,34 +67,29 @@ For this reason, we approximate the interatomic potential around the minimum to
Given the quadratic interatomic potential, the material responds with a returning force:
$$
\begin{align}
F &= - \frac{\mathrm{d} U}{\mathrm{d} r} \Bigr|_{r = a+\delta r}\\
&= \kappa a \frac{\delta L}{L}.
\end{align}
F = - \frac{\mathrm{d} U}{\mathrm{d} r} \Bigr|_{r = a+\delta r} = \kappa a \frac{\delta L}{L}.
$$
We use this result to calculate the materials *compressibility*:
This result directly leads us to a macroscopic material parameter, its *compressibility*:
$$
\begin{align}
\beta &\equiv -\frac{1}{L} \frac{\partial L}{\partial F}\\
&= \frac{1}{\kappa a}.
\end{align}
\beta \equiv -\frac{1}{L} \frac{\partial L}{\partial F}= \frac{1}{\kappa a}.
$$
The compressibility allows us to calculate the speed of sound by using the following relation:
Furthermore, the compressibility allows us to calculate the speed of sound by using the relation:
$$
v = \sqrt{\frac{1}{\rho \beta}},
$$
where $\rho$ is the mass density of the material.
By using mass density relation $\rho = m/a$ (in 1D), we obtain the speed of sound
where $\rho$ is the density of the material.
Because $\rho = m/a$ (in 1D), we finally arrive to the expression for the speed of sound, derived from the atomic properties:
$$
v = \sqrt{\frac{\kappa a^2}{m}}.
$$
The result might look familiar!
This way we can already see how phonon heat capacity emerges from the microscopic material structure.
### Thermal expansion
Let us consider the Taylor expansion of the interatomic potential around minimum to the third order.
On top of the harmonic term, we now also have the anharmonic term $\frac{\kappa_3}{3!}(r-a)^3$.
On top of the harmonic term, we now also have the anharmonic term $\kappa_3(r-a)^3/6$.
We compare the interatomic potential up to the second-order with the third-order expansion in the figure below.
Notice that the second-order approximation is symmetric around the minimum while the third-order term is not.
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