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+
+\begin{document}
+
+% header
+\begin{center}
+ {\LARGE {\bf Materials Physics II}\\}
+ \vspace{8pt}
+ Prof. B. Stritzker\\
+ SS 2008\\
+ \vspace{8pt}
+ {\Large\bf Tutorial 3 - proposed solutions}
+\end{center}
+
+\vspace{8pt}
+
+\section{Specific heat in the classical theory of the harmonic crystal -\\
+ The law of Dulong and Petit}
+
+\begin{enumerate}
+ \item Energy:
+ \begin{eqnarray}
+ w&=&-\frac{1}{V}\frac{\partial}{\partial \beta}
+ ln \int d\Gamma \exp(-\beta H)
+ =-\frac{1}{V}\frac{1}{\int d\Gamma \exp(-\beta H)}
+ \frac{\partial}{\partial \beta} \int d\Gamma \exp(-\beta H)\nonumber\\
+ &=&-\frac{1}{V}\frac{1}{\int d\Gamma \exp(-\beta H)}
+ \int d\Gamma \frac{\partial}{\partial \beta} \exp(-\beta H)\nonumber\\
+ &=&-\frac{1}{V}\frac{1}{\int d\Gamma \exp(-\beta H)}
+ \int d\Gamma \exp(-\beta H) (-H) \qquad \textrm{ q.e.d.} \nonumber
+ \end{eqnarray}
+ \item Potential energy:
+ \[
+ U=\frac{1}{2}\sum_{{\bf RR'}}\Phi({\bf r}({\bf R})-{\bf r}({\bf R'}))
+ =\frac{1}{2}\sum_{{\bf RR'}}
+ \Phi({\bf R}-{\bf R'}+{\bf u}({\bf R})-{\bf u}({\bf R'}))
+ \]
+ Using Taylor and
+ $U_{\text{eq}}=\frac{1}{2}\sum_{{\bf R R'}} \Phi({\bf R}-{\bf R'})$:
+ \[
+ U=U_{\text{eq}}+
+ \frac{1}{2}\sum_{{\bf RR'}}({\bf u}({\bf R})-{\bf u}({\bf R'}))
+ \nabla\Phi({\bf R}-{\bf R'})+
+ \frac{1}{4}\sum_{{\bf RR'}}
+ [({\bf u}({\bf R})-{\bf u}({\bf R'})) \nabla]^2
+ \Phi({\bf R}-{\bf R'}) + \mathcal{O}(u^3)
+ \]
+ Linear term:\\
+ The coefficient of ${\bf u}({\bf R})$ is
+ $\sum_{\bf R'}\nabla\Phi({\bf R}-{\bf R'})$
+ which is minus the force excerted on atom ${\bf R}$
+ by all other atoms in equlibrium positions.
+ There is no net force on any atom in equlibrium.
+ The linear term is zero.\\\\
+ Harmonic term:\\
+ $(a\nabla)^2 \Phi=
+ a\nabla a\nabla \Phi=
+ a\nabla \sum_u a_u \frac{\partial\Phi}{\partial r_u}=
+ \sum_v \frac{\partial \sum_u a_u
+ \frac{\partial\Phi}{\partial r_u}}{\partial r_v} a_v=
+ \sum_{uv}\frac{\partial}{\partial r_v} a_u
+ \frac{\partial \Phi}{\partial r_u} a_v=
+ \sum_{uv}a_u \frac{\partial^2\Phi}{\partial r_u \partial r_v} a_v$\\
+ \[\Rightarrow
+ U_{\text{harm}}=\frac{1}{4}\sum_{\stackrel{{\bf R R'}}{\mu,v=x,y,z}}
+ [u_{\mu}({\bf R})-u_{\mu}({\bf R'})]\Phi_{\mu v}({\bf R}-{\bf R'})
+ [u_v({\bf R})-u_v({\bf R'})],
+ \quad \Phi_{\mu v}({\bf r})=
+ \frac{\partial^2 \Phi({\bf r})}{\partial r_{\mu}\partial r_v}.
+ \]
+ \item Change of variables:
+ \[
+ {\bf u}({\bf R})=\beta^{-1/2}\bar{{\bf u}}({\bf R}), \qquad
+ {\bf P}({\bf R})=\beta^{-1/2}\bar{{\bf P}}({\bf R})
+ \]
+ \[
+ \Rightarrow
+ d{\bf u}({\bf R})=\beta^{-3/2}d\bar{{\bf u}}({\bf R}), \qquad
+ d{\bf P}({\bf R})=\beta^{-3/2}d\bar{{\bf P}}({\bf R}), \qquad
+ \]
+ Kinetic energy contribution:
+ \[
+ H_{\text{kin}}=\frac{{\bf P}({\bf R})^2}{2M}
+ \]
+ Integral:
+ \[
+ \int d\Gamma \exp(-\beta H)=
+ \int d\Gamma \exp\left[-\beta\left(\sum \frac{{\bf P}({\bf R})^2}{2M}+
+ U_{\text{eq}} + U_{\text{harm}}\right)\right]
+ \]
+
+\end{enumerate}
+
+\section{Specific heat in the quantum theory of the harmonic crystal -\\
+ The Debye model}
+
+As found in exercise 1, the specific heat of a classical harmonic crystal
+is not depending on temeprature.
+However, as temperature drops below room temperature
+the specific heat of all solids is decreasing as $T^3$ in insulators
+and $AT+BT^3$ in metals.
+This can be explained in a quantum theory of the specific heat of
+a harmonic crystal, in which the energy density $w$ is given by
+\[
+w=\frac{1}{V}\frac{\sum_i E_i \exp(-\beta E_i)}{\sum_i \exp(-\beta E_i)}.
+\]
+\begin{enumerate}
+ \item Show that the energy density can be rewritten to read:
+ \[
+ w=-\frac{1}{V}\frac{\partial}{\partial \beta} ln \sum_i \exp(-\beta E_i).
+ \]
+ \item Evaluate the expression of the energy density.
+ {\bf Hint:}
+ The energy levels of a harmonic crystal of N ions
+ can be regarded as 3N independent oscillators,
+ whose frequencies are those of the 3N classical normal modes.
+ The contribution to the total energy of a particular normal mode
+ with angular frequency $\omega_s({\bf k})$
+ ($s$: branch, ${\bf k}$: wave vector) is given by
+ $(n_{{\bf k}s} + \frac{1}{2})\hbar\omega_s({\bf k})$ with the
+ excitation number $n_{{\bf k}s}$ being restricted to integers greater
+ or equal zero.
+ The total energy is given by the sum over the energies of the individual
+ normal modes.
+ Use the totals formula of the geometric series to expcitly calculate
+ the sum of the exponential functions.
+ \item Separate the above result into a term vanishing as $T$ goes to zero and
+ a second term giving the energy of the zero-point vibrations of the
+ normal modes.
+ \item Write down an expression for the specific heat.
+ Consider a large crystal and thus replace the sum over the discrete
+ wave vectors with an integral.
+ \item Debye replaced all branches of the vibrational spectrum with three
+ branches, each of them obeying the dispersion relation
+ $w=ck$.
+ Additionally the integral is cut-off at a radius $k_{\text{D}}$
+ to have a total amount of N allowed wave vectors.
+ Determine $k_{\text{D}}$.
+ Evaluate the simplified integral and introduce the
+ Debye frequency $\omega_{\text{D}}=k_{\text{D}}c$
+ and the Debye temperature $\Theta_{\text{D}}$ which is given by
+ $k_{\text{B}}\Theta_{\text{D}}=\hbar\omega_{\text{D}}$.
+ Write down the resulting expression for the specific heat.
+\end{enumerate}
+
+\end{document}