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Subsections


Atomic relaxation

The atomic relaxation can be triggered by other electromagnetic interactions such as the photoelectric effect or ionisation, which leave the atom in an excited state.

The Livermore Evaluation Atomic Data Library EADL [1] contains data to describe the relaxation of atoms back to neutrality after they are ionised.

It is assumed that the binding energy of all subshells are the same for neutral ground state atoms as for ionised atoms [1].

The data in EADL includes the radiative and non-radiative transition probabilities for each sub-shell of each element, for Z=1 to 100. The atom has been ionised by a process that has caused an electron to be ejected from an atom, leaving a vacancy or ``hole" in a given subshell. The EADL data are then used to calculate the complete radiative and non-radiative spectrum of X-rays and electrons emitted as the atom relaxes back to neutrality.

Non-radiative de-excitation can occur via the Auger effect (the initial and secondary vacancies are in different shells) or Coster-Kronig effect (transitions within the same shell).


Fluorescence

The simulation procedure for the fluorescence process is the following:

  1. If the vacancy subshell is not included in the data, a photon is emitted in a random direction in 4$\pi$ with an energy equal to the corresponding binding energy, and the procedure is terminated.
  2. If the vacancy subshell is included in the data, an outer subshell is randomly selected taking into account the relative transition probabilities for all possible outer subshells.
  3. In the case where the energy corresponding to the selected transition is larger than a user defined cut value (equal to zero by default), a photon particle is created and emitted in a random direction in 4$\pi$, with an energy equal to the transition energy.
  4. the procedure is repeated from step 1, for the new vacancy subshell.

The final local energy deposit is the difference between the binding energy of the initial vacancy subshell and the sum of all transition energies which were taken by fluorescence photons. The atom is assumed to be initially ionised with an electric charge of $+1e$.

Sub-shell data are provided in the EADL data bank [1] for Z=1 through 100. However, transition probabilities are only explicitly included for Z=6 through 100, from the subshells of the K, L, M, N shells and some O subshells. For subshells O,P,Q: transition probabilities are negligible (of the order of 0.1%) and smaller than the precision with which they are known. Therefore, for the time being, for Z=1 through 5, only a local energy deposit corresponding to the binding energy B of an electron in the ionised subshell is simulated. For subshells of the O, P, and Q shells, a photon is emitted with that energy B.


Auger process

The Auger effect is complimentary to fluorescence, hence the simulation process is the same as for the fluorescence, with the exception that two random shells are selected, one for the transition electron that fills the original vacancy, and the other for selecting the shell generating the Auger electron.

Subshell data are provided in the EADL data bank [1] for $Z=6$ through 100. Since in EADL no data for elements with $Z < 5$ are provided, Auger effects are only considered for $5 < Z < 100$ and always due to the EADL data tables, only for those transitions which have a probabiliy to occur $> 0.1\%$ of the total non-radiative transition probability. EADL probability data used are, however, normalized to one for Fluorescence + Auger.

Status of the document

08.02.2000 created by Véronique Lefébure
08.03.2000 reviewed by Petteri Nieminen and Maria Grazia Pia
05.06.2002 added Auger Effect description by Alfonso Mantero

Bibliography

  1. "Tables and Graphs of Atomic Subshell and Relaxation Data Derived from the LLNL Evaluated Atomic Data Library (EADL), Z=1-100" S.T.Perkins, D.E.Cullen, M.H.Chen, J.H.Hubbell, J.Rathkopf, J.Scofield, UCRL-50400 Vol.30
  2. "A simple model of photon transport", D.E. Cullen, Nucl. Instr. Meth. in Phys. Res. B 101(1995)499-510
  3. "A program to determine the radiation spectra due to a single atomic-subshell ionisation by a particle or due to deexcitation or decay of radionuclides", J. Stepanek, Comp. Phys. Comm. 106(1997)237-257


next up previous contents
Next: Hadron and Ion Ionisation Up: Low Energy Extensions Previous: Electron ionisation   Contents