Derivation of the photoionization cross section

In summary: Secondly, we need to consider the polarization of the photon. This is where the polarization vector u_\lambda comes into play. The electric field operator \hat{\mathbf{E}} can be written in terms of the photon polarization vector and the photon wavevector \mathbf{k} as \hat{\mathbf{E}} = c \sqrt{\frac{\hbar}{2 \omega V}} u_\lambda \exp(i \mathbf{kr}).Finally, we need to consider the density of final states, which is given by \rho(E_f) dE_f= \frac{V p_f
  • #1
Syrius
8
0
Hallo Physics Forum,

this is my first post, so please be gentle to me :). I am currently studying the relativistic photoionization process, and especially its differential cross section. Let us assume that we have a highly energetic, unpolarized photon beam traveling on the z-axis and colliding with unpolarized atoms. As a result these atoms get ionized by the absorption of photons. Here we do not observe the spin of these electrons. In Physics Reports 439 (2007) 1-99 it is stated on page 36 that the differential cross section for this process can be written as
\begin{align}
\frac{d \sigma^{ph}(\theta)}{d\theta} = \frac{\alpha \ m_e \ c^2}{4 \ \hbar \ \omega} \frac{\lambda_c^2}{2 (2 j_n+1)} \sum_{\mu_n} \ \sum_{m_s=\pm 1/2} \ \sum_{\lambda=\pm 1} |M_{p,n}(m_s,\lambda,\mu_n)|^2,
\end{align}
where [itex]\alpha[/itex] is the finestructure constant and [itex]\lambda_c = \frac{\hbar}{m_e c}[/itex] the Compton wavelength.
The matrix element is written as
\begin{align}
M_{p,n}(m_s,\lambda,\mu_n) = \int \psi_{p,m_s}^\dagger(\mathbf{r}) \ \alpha \ u_\lambda \ \exp(i \mathbf{k r}) \psi_{j_n, \mu_n}(\mathbf{r}) \mathrm{d}^3 r,
\end{align}
where [itex]u_\lambda[/itex] is the polarization vector of the electromagnetic potential, [itex]\alpha[/itex] a vector of Dirac matrices, [itex]\psi_{j_n, \mu_n}(\mathbf{r})[/itex] the initial atomic wavefunction and [itex]\psi_{p,m_s}^\dagger(\mathbf{r})[/itex] the final continuous electron wavefunction. In the mentioned reference they state that this result has been obtained from a review article of Pratt (R.H. Pratt, A. Ron, H.K. Tseng, Rev. Mod. Phys. 45 (1973) 273). However, the given formula is not included in the article so I tried to understand it by myself.

The starting point for me is Fermis Golden Rule under the condition that we average over the photon polarization (photon beam is unpolarized) and the electron total angular momentum (atoms are unpolarized) and sum over the spin of the final continuum electron (spin is not observed). Thenwe get
\begin{align}
W=\frac{2 \pi}{\hbar} \rho(E_f) \frac{1}{2 (2 j_n+1)} \sum_{\mu_n} \ \sum_{m_s=\pm 1/2} \ \sum_{\lambda=\pm 1} |H_{p,n}(m_s,\lambda,\mu_n)|^2
\end{align}
where [itex]\rho(E_f)[/itex] is the density of the final continuum electron states with energy [itex]E_f[/itex] and [itex]H_{p,n}(m_s,\lambda,\mu_n)[/itex] includes the initial and final wavefunctions and the operator for photoabsorption, which can, for example, be taken from Sakurai and reads
\begin{align}
c \sqrt{\frac{\hbar}{2 \omega V}} u_\lambda \exp(i \mathbf{kr}).
\end{align}
. For the density of states we get, if we neglect the motion of the nuclei,
\begin{align}
\rho(E_f) dE_f= \frac{V d^3 p_f}{(2 \pi \hbar)^3} = \frac{V p_f^2 dp_f d\Omega}{(2 \pi \hbar)^3} = \frac{V p_f E_f dE_f d\Omega}{(2 \pi \hbar)^3 c^2}.
\end{align}
This depends however on the energy and momentum of the final electron, which the stated formula from the reference does not (even if one would use an relativistic invariant version of fermis golden rule this would also be true). I do not see how the derived the formula in the beginning. Has anybody got an idea, how the have derived it?

Thank you very much in advance,
Syrius
 
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  • #2


Dear Syrius,

Thank you for sharing your question with the Physics Forum community. It is always exciting to see someone delving into the details of a particular physical process, and I am happy to help shed some light on the derivation of the differential cross section formula you presented.

Firstly, let me clarify the notation used in the formula. The symbol \theta represents the scattering angle of the final electron, and the subscript "ph" indicates that this is the differential cross section for photoionization. The summations over \mu_n and m_s represent the averaging over the initial atomic wavefunction and final electron spin, respectively. The \lambda represents the polarization of the photon, and the summation over it represents the averaging over the polarization of the photon beam.

To understand the derivation of this formula, we need to start with the basic principles of quantum electrodynamics (QED). In QED, the interaction between the photon and the electron is described by the Dirac equation, which is a relativistic equation for the electron's wavefunction. The photoionization process can be described as the absorption of a photon by an atom, resulting in the ionization of the atom and the creation of a free electron. This process is governed by the electromagnetic interaction between the photon and the electron, which is described by the Hamiltonian operator \hat{H}_{int} = -e \hat{\mathbf{r}} \cdot \hat{\mathbf{E}}, where e is the electron charge, \hat{\mathbf{r}} is the position operator of the electron, and \hat{\mathbf{E}} is the electric field operator of the photon.

In order to calculate the probability of this process occurring, we can use Fermi's Golden Rule, which you have correctly identified as the starting point for the derivation. However, there are a few key steps that were not mentioned in the forum post that are necessary to arrive at the final formula.

Firstly, we need to consider the initial and final states of the electron. The initial state is the bound state of the electron in the atom, which is described by the wavefunction \psi_{j_n, \mu_n}(\mathbf{r}). The final state is the continuum state of the free electron, which is described by the wavefunction \psi_{p,m_s}^\dagger(\mathbf{r}). In order to calculate the transition probability between these states, we need to
 

Related to Derivation of the photoionization cross section

1. What is the photoionization cross section?

The photoionization cross section is a measure of the likelihood of an atom or molecule absorbing a photon and undergoing photoionization, which is the process of ejecting an electron from an atom or molecule through the absorption of a photon.

2. How is the photoionization cross section calculated?

The photoionization cross section is typically calculated using quantum mechanical methods, such as the time-dependent Schrödinger equation or the density functional theory. These methods take into account the energy and spatial distribution of the electron wavefunction, as well as the energy and intensity of the incident photon.

3. What factors affect the photoionization cross section?

The photoionization cross section is influenced by several factors, including the energy of the incident photon, the ionization potential of the atom or molecule, the shape and size of the electron wavefunction, and the orientation of the molecule with respect to the incident photon.

4. Why is the photoionization cross section important?

The photoionization cross section is important because it provides insight into the atomic and molecular structure, as well as the electronic transitions, of a substance. It is also used in a variety of fields, such as atmospheric science, astrophysics, and plasma physics, to study the interaction of light with matter.

5. How does the photoionization cross section relate to other properties of a substance?

The photoionization cross section is related to other properties of a substance, such as the absorption coefficient, the refractive index, and the dielectric constant. It is also closely tied to the ionization potential and electron affinity of an atom or molecule, as well as the energy levels and electronic transitions within the system.

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