diff --git a/src/1_einstein_model.md b/src/1_einstein_model.md index df03afd16b8658a66a11d9c11e6921e18a602913..9f2a291f19d71f28f7cd3491d4402a1afa345ca7 100644 --- a/src/1_einstein_model.md +++ b/src/1_einstein_model.md @@ -117,3 +117,52 @@ ax.set_xlabel('$T[K]$') ax.set_ylabel('$C/k_B$') ax.set_ylim((0, 3)); ``` + +## Exercises + +### Exercise 1: Heat capacity of a classical oscillator. + +Let's refresh the connection of this topic to statistical physics. +You will need to look up the definition of partition function and how to use it to compute expectation values. + +Consider a 1D simple harmonic oscillator with mass $m$ and spring constant $k$. +The Hamiltonian is given in the usual way by: +$$ +H = \frac{p^2}{2m}+\frac{k}{2}x^2. +$$ + +1. Compute the classical partition function using the following expression: +$$ +Z = \int_{-\infty}^{\infty}dp \int_{-\infty}^{\infty} dx e^{-\beta H(p,x)}. +$$ +2. Using the solution of 1., compute the expectation value of the energy, and the expectation value of . +3. Compute the heat capacity. Check that you get the law of Dulong-Petit but with a different prefactor. +4. Explain the difference in the prefactor by considering the number of degrees of freedom. + + +### Exercise 2: Quantum harmonic oscillator +Consider a 1D quantum harmonic oscillator. Its eigenstates are: + +$$ +E_n = \hbar\omega(n+\frac{1}{2}), +$$ + +1. Sketch the wave function of this harmonic oscillator for $n=3$. +2. Compute the quantum partition function using the following expression: +$$ +Z = \sum_j e^{-\beta E_j}. +$$ +3. Using the partition function, compute the expectation value of the energy. +4. Compute the heat capacity. Check that in the high temperature limit you get the same result as in Exercise 1.1. + - What temperature can be considered high? + - What is the expectation value of $n$? + + +### Exercise 4. Total heat capacity of a diatomic material + +Naturally occurring lithium has [two stable isotopes](https://en.wikipedia.org/wiki/Isotopes_of_lithium): $^6$Li (7.5%) and $^7$Li (92.5%). Let us extend the Einstein model to take into account the different masses of different isotopes. + +1. Assume that the strength of the returning force $k$ experienced by each atom is the same. What is the difference in the oscillation frequencies of different isotopes of lithium in the lithium crystal? +2. Write down the total energy of lithium assuming that all $^6$Li atoms are in $n=2$ vibrational state, and all $^7$Li atoms are in $n=4$ vibrational state. +3. Write down the total energy of lithium at a temperature $T$ by modifying the Einstein model. +4. Compute the heat capacity of lithium as a function of $T$. \ No newline at end of file diff --git a/src/2_debye_model.md b/src/2_debye_model.md index abd2b2a00b3c2d19220cf9462d3757f5c7541780..b0157ac3405104ef27c45d9c5b3344490bc50771 100644 --- a/src/2_debye_model.md +++ b/src/2_debye_model.md @@ -128,3 +128,64 @@ ax.legend(loc='lower right') pyplot.hlines([3], 0, 1.5, linestyles='dashed') draw_classic_axes(ax, xlabeloffset=0.3) ``` + +## Exercises + +### Exercise 1: Debye model: concepts +1. Describe the concept of k-space. What momenta are allowed in a 2D system with dimensions $L\times L$? +2. The probability to find an atom of a 1D solid that originally had a position $x$ at a displacement $\delta x$ is shown on this plot: + +```python +def psi_squared(delta_x, x): + return delta_x**2 * np.exp(-delta_x**2) * np.sin(4*np.pi*x)**2 + +x = np.linspace(0, 1, 200) +delta_x = np.linspace(-2, 2, 200) + +pyplot.imshow(psi_squared(delta_x.reshape((-1, 1)), x.reshape((1, -1))), cmap='gist_heat_r', extent=(0, 3, -1, 1)) +pyplot.ylabel(r'$\delta x$') +pyplot.xlabel(r'$x$') +pyplot.xticks((0, 3), ('$0$', '$L$')) +pyplot.yticks((), ()) +cbar = pyplot.colorbar() +cbar.set_ticks(()) +cbar.set_label(r'$|\psi^2|$') +``` + +Describe how many phonons in which $k$-state this solid has. +Explain your answer. + +??? hint + + There are $n=2$ phonons in the state with $k=4\pi/L$ and $n=2$ phonons in a state with $k=-4\pi/L$. + +3. Explain the concept of density of states. +4. Calculate the density of states $g(\omega)$ for a 3D, 2D and 1D systems with linear dispersion $\omega=vk$. + +### Exercise 2: Debye model in 2D + +1. State the assumptions of the Debye theory. +2. Determine the energy of a two-dimensional solid as a function of $T$ using the Debye approximation (the integral can't be solved analytically). +3. Calculate the heat capacity in the limit of high $T$ (hint: it goes to a constant). +4. At low $T$, show that $C_V=KT^{n}$. Find $n$. Express $K$ as a definite integral. + +### Exercise 3: Different phonon modes +During the lecture we derived the low-temperature heat capacity assuming that all the phonons have the same sound velocity $v$. +In reality the longitudinal and transverse modes have different sound velocities (see [Wikipedia](https://en.wikipedia.org/wiki/Sound#Longitudinal_and_transverse_waves) for an illustration of different sound wave types). + +Assume that there are two types of excitations: + +* One longitudinal mode with $\omega = v_\parallel |k|$ +* Two transverse modes with $\omega = v_\bot |k|$ + +1. Write down the total energy of phonons in this material *(hint: use the same reasoning as in the [Lithium exercise](1_einstein_model.md#exercise-4-total-heat-capacity-of-a-diatomic-material))*. +2. Verify that at high $T$ you reproduce the Dulong-Petit law. +3. Compute the behavior of heat capacity at low $T$. + +### Exarcise 4: Anisotropic sound velocities +Suppose now that the velocity is anisotropic ($v_x \neq v_y \neq v_z$) and $\omega = \sqrt{v_x^2 k_x^2 + v_y^2 k_y^2 + v_z^2 k_z^2}$. +How does this change the Debye result for the heat capacity? + +??? hint + + Write down the total energy as an integral over $k$, then change the integration variables so that the spherical symmetry of the integrand is restored. \ No newline at end of file