Advanced Statistical Physics - Lecture notes

Univ. Prof. Dr. Wolfgang von der Linden (Author)

Bsc. Christian Maier (Editing, Page admin.)

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Magnetism of the free electron model

The free electron gas is based on the following assumptions: no electron-electron interactions, the electrons experience no potential due to the crystal, they are confined to a box. In addition, we apply a constant homogeneous external magnetic field.

Pauli paramagnetism

First, we restrict the discussion to the coupling of the electronic spin to the magnetic field, i.e. we ignore the angular moment. The energy one-particle eigenvalues are \[\begin{align*} \varepsilon_{\sigma}(\vv k) &= \frac{\hbar^{2} \vv k^{2}}{2m} +\sigma b\;,\\ b &= \frac{\mu_{B} g_{e} }{2}B\;.\end{align*}\] with the quantized wave vectors \(\vv k\). The mean occupation of the one-particle orbitals is given by the Fermi-Dirac distribution \[\begin{align*} n_{F}(\varepsilon_{\sigma}(\vv k)|T,\mu)\end{align*}\] The mean total number of electrons in the Zeeman level represented by \(\sigma\) is \[\begin{align*} N_{\sigma} &=\sum_{\vv k} n_{F}(\varepsilon_{\sigma}(\vv k)|T,\mu) = \int d\varepsilon \rho(\varepsilon) n_{F}(\varepsilon +\sigma b|T,\mu)\;.\end{align*}\] As derived in the 3D dos is

\[\begin{align} \rho(\varepsilon)&= D \sqrt{\varepsilon}\;,\\ \text{with}\quad D&=\frac{V m^{3/2}}{\hbar^{3} \pi^{2}\sqrt{2}}\;.\end{align}\]

Then \[\begin{align*} N_{\sigma} &=D\; \int_{0}^{\infty} d\varepsilon \sqrt{\varepsilon} \; n_{F}(\varepsilon +\sigma b|T,\mu)\;.\end{align*}\] For small magnetic field we can use a Taylor expansion in \(b\) abound \(b=0\) \[\begin{align*} N_{\sigma} &=D\; \int_{0}^{\infty} d\varepsilon \sqrt{\varepsilon} \; \bigg(n_{F}(\varepsilon|T,\mu) +\sigma b \;\frac{\partial }{\partial \varepsilon}n_{F}(\varepsilon|T,\mu) +{\cal O}(b^{2})\bigg)\\ &=D\; \int_{0}^{\infty} d\varepsilon \sqrt{\varepsilon} \; n_{F}(\varepsilon|T,\mu) +\sigma b D \int_{0}^{\infty} d\varepsilon \sqrt{\varepsilon} \;n'_{F}(\varepsilon|T,\mu) +{\cal O}(b^{2})\end{align*}\] The total particle number follows as \[\begin{align} N &= N_{+}+N_{-} = 2 D \int_{0}^{\infty} d\varepsilon \sqrt{\varepsilon} \;n_{F} (\varepsilon|T,\mu) + {\cal O}(b^{2})\notag\\ &= 2 D \int_{0}^{\infty} d\varepsilon \sqrt{\varepsilon} \;n_{F} (\varepsilon|T,\mu) + {\cal O}(b^{2})\;.\label{eq:N:total}\end{align}\] For small \(b\) and low temperature we can use the Sommerfeld expansion, outlined in ,

Sommerfeld expansion

\[\begin{align} I&=\int_{0}^{\infty} f(\varepsilon) n_{F}(\varepsilon|\mu,T) d\varepsilon\nonumber\\ &=\int_{0}^{\mu} f(\varepsilon)d\varepsilon + 2 \sum_{n=1}^{\text{odd}}\big(1-\frac{1}{2^{n}}\big)\;\zeta(n+1) \big(k_{B}T\big)^{n+1}\;f^{(n)}(\mu)\;,\end{align}\]

which reads to leading order \[\begin{align*} I &= \int_{0}^{\mu} f(\varepsilon) d\varepsilon + \frac{\pi^{2}}{6}\;\big(k_{B}T\big)^{2} \;f'(\mu)+ {\cal O}(\big(\frac{k_{B}T}{\mu}\big)^{4})\;.\end{align*}\] For the total particle number we obtain \[\begin{align*} N&=2 D \bigg(\int_{0}^{\mu}\sqrt{\varepsilon} +\frac{\pi^{2}}{6}\frac{d}{d\mu}\sqrt{\mu}\bigg( k_{B}T \bigg)^{2}+\ldots\bigg)\\ &=2 D \bigg(\frac{2}{3}\mu^{3/2} +\frac{\pi^{2}}{12}\mu^{-1/2}\big( k_{B}T \big)^{2}+\ldots \bigg)\;.\end{align*}\] \[\begin{align} \label{eq:spin:para:aux2} \frac{3 N}{4 D}&= \mu^{3/2}\bigg(1 +\frac{\pi^{2}}{8}\bigg(\frac{ k_{B}T }{\mu}\bigg)^{2}+\ldots \bigg)\end{align}\]

For \(T=0\) the chemical potential is equivalent to the Fermi energy \(\varepsilon_{F}\) and we have \[\begin{align} \label{eq:spin:para:aux1} \frac{3 N}{4 D} &= \varepsilon_{F}^{3/2}\;,\end{align}\] or rather \[\begin{align*} \varepsilon_{F} &= \bigg(\frac{3 N \hbar^{3} (2\pi)^{2} }{4 V(2m)^{3/2}} \bigg)^{2/3} = \bigg(\frac{3 N \pi^{2} }{ V} \bigg)^{2/3}\;\frac{\hbar^{2}}{2 m}\;.\end{align*}\]

Fermi energy in the free electron gas

\[\begin{align} \label{eq:spin:para:EF} \varepsilon_{F}&= \bigg(3 \pi^{2} n\bigg)^{2/3} \frac{\hbar^{2}}{2m} \;.\end{align}\]

This defines the Fermi wave number \(k_{F}\), through \[\begin{align*} \varepsilon_{F} & = \bigg(3 \pi^{2} n\bigg)^{2/3}\frac{\hbar^{2}}{2m} = \frac{\hbar^{2} k_{F}^{2} }{2m}\\ k_{F}&=\bigg(3 \pi^{2} n\bigg)^{1/3} = \bigg(\frac{3 \pi^{2}}{v}\bigg)^{1/3 }\;,\end{align*}\] where \(v\) is the average volume per electron. Hence \[\begin{align*} k_{F} &\propto \frac{1}{r}\;,\end{align*}\] where \(r\) is the mean distance between the electrons. Inserting \(\eqref{eq:spin:para:aux1}\) in \(\eqref{eq:spin:para:aux2}\) yields apart from higher order terms \[\begin{align*} \varepsilon_{F} &= \mu\bigg(1 +\frac{\pi^{2}}{8}\bigg(\frac{ k_{B}T }{\mu}\bigg)^{2}\bigg)^{2/3}\\ \mu &= \varepsilon_{F}\bigg(1 +\frac{\pi^{2}}{8}\bigg(\frac{ k_{B}T }{\mu}\bigg)^{2}\bigg)^{-2/3}\;.\end{align*}\] We can solve this equation iteratively, starting with \(\mu=\varepsilon_{F}\). The first iteration yields \[\begin{align*} \mu &=\varepsilon_{F}\bigg(1 +\frac{\pi^{2}}{8}\bigg(\frac{ k_{B}T }{\varepsilon_{F}}\bigg)^{2}\bigg)^{-2/3}\;.\end{align*}\] For low temperatures, \(\frac{ k_{B}T }{\varepsilon_{F}}<1\) we can as well write \[\begin{align*} \mu &=\varepsilon_{F}\bigg(1 -\frac{\pi^{2}}{8}\frac{2}{3}\bigg(\frac{ k_{B}T }{\varepsilon_{F}}\bigg)^{2} +{\cal O}\bigg( \big( \frac{k_{B}T}{\varepsilon_{F}} \big)^{4} \bigg)\bigg)\;.\end{align*}\] Further iterations do not change the second order term and we generally have

Chemical potential free electron gas

\[\begin{align} \mu &=\varepsilon_{F}\bigg(1 -\frac{\pi^{2}}{12}\bigg(\frac{ k_{B}T }{\varepsilon_{F}}\bigg)^{2} \bigg)\;+{\cal O}\bigg( \big( \frac{k_{B}T}{\varepsilon_{F}} \big)^{4} \bigg)\end{align}\]

The partition function for non-interacting particles has already been derived previously. For one-particle energies \(\varepsilon_{\nu}\) it was \[\begin{align*} \ln(Z) &= \sum_{\nu} \ln\bigg( 1+ e^{-\beta(\varepsilon_{\nu}-\mu)}\bigg)\;.\end{align*}\] In the present case the index \(\nu\) stands for the wave vector \(\vv k\) and the spin direction. Hence \[\begin{align} \label{eq:para:pauli:ln:Z} \ln(Z) %&= \sum_{\sigma} \sum_{\vv k} \ln\bigg( 1+ e^{-\beta(\varepsilon(\vv k)+\sigma b-\mu)}\bigg)\\ &= \sum_{\sigma} \int_{0}^{\infty}\;\rho(\varepsilon)\; \ln\bigg( 1+ e^{-\beta(\varepsilon+\sigma b-\mu)}\bigg)\;.\end{align}\]

The corresponding grand potential reads \[\begin{align*} \Omega(T,\vv B) &= -k_{B}T \ln(Z) =-k_{B}T \sum_{\sigma} \int_{0}^{\infty}\;\rho(\varepsilon)\; \ln\bigg( 1+ e^{-\beta(\varepsilon+\sigma b-\mu)}\bigg)\;.\end{align*}\] The magnetization in z-direction is obtain via \[\begin{align*} M &= - \pder{\Omega}{B}{T} \\ &=k_{B}T\;\sum_{\sigma}\big( -\frac{\beta\sigma \mu_{B}g_{e}}{2} \big) \int_{0}^{\infty} d\varepsilon\;\rho(\varepsilon)\;\frac{e^{-\beta(\varepsilon+\sigma b-\mu)}}{1+e^{-\beta(\varepsilon+\sigma b-\mu)}}\\ &=-\frac{\mu_{B}g_{e}}{2} \;\sum_{\sigma}\sigma \;\; \int_{0}^{\infty} d\varepsilon\;\rho(\varepsilon)\;n_{F}(\varepsilon+\sigma b|T,\mu)\\ &= -\frac{\mu_{B}g_{e}}{\hbar} \;\underbrace{ \frac{\hbar(N_{+}-N_{-})}{2} }_{\color{blue} = \langle S_\text{total}^{z} \rangle}\end{align*}\] In agreement with \(\eqref{eq:magmo:spin}\). Again we assume that \(b\) is small and employ a Taylor expansion. \[\begin{align*} M &= -\frac{\mu_{B}g_{e} }{2} \sum_{\sigma} \sigma \int_{0}^{\infty}d\varepsilon \bigg(\rho(\varepsilon) n_{F}(\varepsilon|T,\mu) + \sigma b n'_{F}(\varepsilon|T,\mu)+{O}(b^{2})\bigg)\\ &= -\frac{\mu_{B}g_{e} }{2} 2b \int_{0}^{\infty}d\varepsilon \rho(\varepsilon) n'_{F}(\varepsilon|T,\mu)+{O}(b^{2})\\ &= -\frac{(\mu_{B}g_{e})^{2} }{2} B\int_{0}^{\infty}d\varepsilon \rho(\varepsilon) n'_{F}(\varepsilon|T,\mu)+{O}(b^{2})\;.\end{align*}\] Then the susceptibility reads \[\begin{align} \chi_{T} &= \mu_{0}\pder{M}{B}{T}\bigg|_{B=0}\notag\\ &=-\mu_{0}\frac{(\mu_{B}g_{e})^{2} }{2} \int_{0}^{\infty}d\varepsilon \rho(\varepsilon) n'_{F}(\varepsilon|T,\mu)\notag\;.\end{align}\] This can also be written as \[\begin{align*} \chi_{T} &= -\mu_{0} \mu_{B}^{2} \bigg(\frac{g_{e}}{2}\bigg)^{2} 2 \int d\varepsilon \rho(\varepsilon) n'_{F} (\varepsilon|T,\mu)\\ &= \mu_{0} \mu_{B}^{2} \bigg(\frac{g_{e}}{2}\bigg)^{2} 2 \frac{\partial }{\partial \mu} \int d\varepsilon \rho(\varepsilon) n_{F} (\varepsilon|T,\mu)\;.\end{align*}\] Comparison with \(\eqref{eq:N:total}\) yields \[\begin{align} \label{eq:Pauli:dN:dmu} \chi_{T} &= \mu_{0} \mu_{B}^{2} \bigg(\frac{g_{e}}{2}\bigg)^{2} \pder{N}{\mu}{T,B=0}\end{align}\]

We use the Sommerfeld expansion, derived in to expand the integral in powers of \(k_{B}T/\mu\). \[\begin{align*} \chi &=-\mu_{0}\frac{(\mu_{B}g_{e})^{2} }{2} \int_{0}^{\infty}d\varepsilon \rho(\varepsilon) n'_{F}(\varepsilon|T,\mu)\notag\\ &=\mu_{0}\frac{(\mu_{B}g_{e})^{2} }{2} \int_{0}^{\infty}d\varepsilon \rho'(\varepsilon) n_{F}(\varepsilon|T,\mu)\\ &=\mu_{0}\frac{(\mu_{B}g_{e})^{2} }{2} \bigg(\int_{0}^{\mu}d\varepsilon \rho'(\varepsilon) +\frac{\pi^{2}}{6}(k_{B}T)^{2}\rho''(\mu)+ {\cal O}(\big(\frac{k_{B}T}{\mu}\big)^{4}) \bigg)\\ &=\mu_{0}\frac{(\mu_{B}g_{e})^{2} }{2} \bigg( \rho(\mu) +\frac{\pi^{2}}{6}(k_{B}T)^{2}\rho''(\mu)+ {\cal O}(\big(\frac{k_{B}T}{\mu}\big)^{4}) \bigg)\;.\end{align*}\] The final result reads \[\begin{align} \label{eq:para:chi} \chi &=\mu_{0}\frac{(\mu_{B}g_{e})^{2} }{2} \rho(\mu)\bigg( 1 +\frac{\pi^{2}}{6}(k_{B}T)^{2}\frac{\rho''(\mu)}{\rho(\mu)}+\ldots \bigg)\end{align}\] Now we recall, that \(\rho(\varepsilon) = D \sqrt{\varepsilon}\), resulting in \(\rho''(\mu)/\rho(\mu)=-1/(4\mu^{2})\).

Magnetic susceptibility free electron gas

\[\begin{align} \chi_{P} &= \mu_{0}\frac{(\mu_{B}g_{e})^{2} }{2} \rho(\mu) \bigg( 1 - \frac{\pi^{2}}{24}\bigg(\frac{k_{B}T}{\mu}\bigg)^{2} +\ldots\bigg)\;.\end{align}\]

We see that indeed \(k_{B}T/\mu\) is the relevant small parameter. This describes the Pauli-spin-paramagnetism, which is almost temperature independent for low \(T\); in strong contrast to the Curie \(1/T\) behaviour. The reason for the discrepancy lies in the fermi-statistics. Only the spin of the electrons in the vicinity of \(\mu\) can contribute. The number of thermally excited electrons is \(k_{b} T \rho(\mu)\) which compensates the \(1/T\) behaviour.

Langevin Diamagnetismus

So far we have only considered the spin degrees of freedom of the free electron gas. The orbital moments also contribute to the magnetization, which results in the

Landau Diamagnetism free electron gas

\[\begin{align} \chi_{L}&= -\frac{1}{3}\chi_{P}\end{align}\]

For the derivation see appendix [@app:free:electron:gas]