Near L-edge Single and Multiple Photoionization of Triply Charged Iron Ions
Abstract
Relative cross sections for m-fold photoionization (m = 1,., 5) of Fe3+ by single-photon absorption were measured employing the photon-ion merged-beams setup PIPE at the PETRA III synchrotron light source operated at DESY in Hamburg, Germany. The photon energies used spanned the range of 680-950 eV, covering both the photoexcitation resonances from the 2p and 2s shells, as well as the direct ionization from both shells. Multiconfiguration Dirac-Hartree-Fock (MCDHF) calculations were performed to simulate the total photoexcitation spectra. Good agreement was found with the experimental results. These computations helped to assign several strong resonance features to specific transitions. We also carried out Hartree-Fock calculations with relativistic extensions taking into account both photoexcitation and photoionization. Furthermore, we performed extensive MCDHF calculations of the Auger cascades that result when an electron is removed from the 2p and 2s shells of Fe3+. Our theoretically predicted charge-state fractions are in good agreement with the experimental results, representing a substantial improvement over previous theoretical calculations. Finally, the main reason for the disagreement with the previous calculations is their lack of inclusion of slow Auger decays of several configurations that can only proceed when accompanied by de-excitation of two electrons. In such cases, this additional shake-downmore »
- Authors:
-
[1];
[2];
[2];
[1];
[3];
[2];
[4];
[7];
[5];
[2];
[1];
[2]
- Helmholtz-Inst., Jena (Germany); Friedrich-Schiller-Univ., Jena (Germany)
- Justus-Liebig-Univ., Giessen (Germany)
- Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany)
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Advanced Light Source (ALS)
- Univ. Hamburg (Germany)
- Hungarian Academy of Sciences, Debrecen (Hungary)
- Columbia Univ., New York, NY (United States)
- Publication Date:
- Research Org.:
- Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES); German Federal Ministry for Education and Research (BMBF)
- OSTI Identifier:
- 1604719
- Grant/Contract Number:
- AC02-05CH11231; 05K16GUC; 05K16RG1; 05K16SJA
- Resource Type:
- Accepted Manuscript
- Journal Name:
- The Astrophysical Journal (Online)
- Additional Journal Information:
- Journal Name: The Astrophysical Journal (Online); Journal Volume: 887; Journal Issue: 2; Journal ID: ISSN 1538-4357
- Publisher:
- Institute of Physics (IOP)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 79 ASTRONOMY AND ASTROPHYSICS; atomic data benchmarking; atomic physics; de-excitation rates; photoionization; spectral line identification
Citation Formats
Beerwerth, Randolf, Buhr, Ticia, Perry-Sassmannshausen, Alexander, Stock, Sebastian O., Bari, Sadia, Holste, Kristof, Kilcoyne, A. L. David, Reinwardt, Simon, Ricz, Sandor, Savin, Daniel Wolf, Schubert, Kaja, Martins, Michael, Müller, Alfred, Fritzsche, Stephan, and Schippers, Stefan. Near L-edge Single and Multiple Photoionization of Triply Charged Iron Ions. United States: N. p., 2019.
Web. doi:10.3847/1538-4357/ab5118.
Beerwerth, Randolf, Buhr, Ticia, Perry-Sassmannshausen, Alexander, Stock, Sebastian O., Bari, Sadia, Holste, Kristof, Kilcoyne, A. L. David, Reinwardt, Simon, Ricz, Sandor, Savin, Daniel Wolf, Schubert, Kaja, Martins, Michael, Müller, Alfred, Fritzsche, Stephan, & Schippers, Stefan. Near L-edge Single and Multiple Photoionization of Triply Charged Iron Ions. United States. https://doi.org/10.3847/1538-4357/ab5118
Beerwerth, Randolf, Buhr, Ticia, Perry-Sassmannshausen, Alexander, Stock, Sebastian O., Bari, Sadia, Holste, Kristof, Kilcoyne, A. L. David, Reinwardt, Simon, Ricz, Sandor, Savin, Daniel Wolf, Schubert, Kaja, Martins, Michael, Müller, Alfred, Fritzsche, Stephan, and Schippers, Stefan. Wed .
"Near L-edge Single and Multiple Photoionization of Triply Charged Iron Ions". United States. https://doi.org/10.3847/1538-4357/ab5118. https://www.osti.gov/servlets/purl/1604719.
@article{osti_1604719,
title = {Near L-edge Single and Multiple Photoionization of Triply Charged Iron Ions},
author = {Beerwerth, Randolf and Buhr, Ticia and Perry-Sassmannshausen, Alexander and Stock, Sebastian O. and Bari, Sadia and Holste, Kristof and Kilcoyne, A. L. David and Reinwardt, Simon and Ricz, Sandor and Savin, Daniel Wolf and Schubert, Kaja and Martins, Michael and Müller, Alfred and Fritzsche, Stephan and Schippers, Stefan},
abstractNote = {Relative cross sections for m-fold photoionization (m = 1,., 5) of Fe3+ by single-photon absorption were measured employing the photon-ion merged-beams setup PIPE at the PETRA III synchrotron light source operated at DESY in Hamburg, Germany. The photon energies used spanned the range of 680-950 eV, covering both the photoexcitation resonances from the 2p and 2s shells, as well as the direct ionization from both shells. Multiconfiguration Dirac-Hartree-Fock (MCDHF) calculations were performed to simulate the total photoexcitation spectra. Good agreement was found with the experimental results. These computations helped to assign several strong resonance features to specific transitions. We also carried out Hartree-Fock calculations with relativistic extensions taking into account both photoexcitation and photoionization. Furthermore, we performed extensive MCDHF calculations of the Auger cascades that result when an electron is removed from the 2p and 2s shells of Fe3+. Our theoretically predicted charge-state fractions are in good agreement with the experimental results, representing a substantial improvement over previous theoretical calculations. Finally, the main reason for the disagreement with the previous calculations is their lack of inclusion of slow Auger decays of several configurations that can only proceed when accompanied by de-excitation of two electrons. In such cases, this additional shake-down transition of a (sub)valence electron is required to gain the necessary energy for the release of the Auger electron.},
doi = {10.3847/1538-4357/ab5118},
journal = {The Astrophysical Journal (Online)},
number = 2,
volume = 887,
place = {United States},
year = {Wed Dec 18 00:00:00 EST 2019},
month = {Wed Dec 18 00:00:00 EST 2019}
}
Free Publicly Available Full Text
Publisher's Version of Record
Other availability
Search WorldCat to find libraries that may hold this journal
Cited by: 13 works
Citation information provided by
Web of Science
Web of Science
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.
Works referenced in this record:
New version: Grasp2K relativistic atomic structure package
journal, September 2013
- Jönsson, P.; Gaigalas, G.; Bieroń, J.
- Computer Physics Communications, Vol. 184, Issue 9
The Ratip program for relativistic calculations of atomic transition, ionization and recombination properties
journal, July 2012
- Fritzsche, S.
- Computer Physics Communications, Vol. 183, Issue 7
Photoionization of Ne Atoms and Ne + Ions Near the K Edge: PrecisionSpectroscopy and Absolute Cross-sections
journal, February 2017
- Müller, Alfred; Bernhardt, Dietrich; Borovik, Alexander
- The Astrophysical Journal, Vol. 836, Issue 2
Photoabsorption cross sections for positive atomic ions with Z equal to or less than 30
journal, August 1979
- Reilman, R. F.; Manson, S. T.
- The Astrophysical Journal Supplement Series, Vol. 40
The iron L edges: Fe 2p X-ray absorption and electron energy loss spectroscopy
journal, April 2013
- Miedema, Piter S.; de Groot, Frank M. F.
- Journal of Electron Spectroscopy and Related Phenomena, Vol. 187
Is the Fe M‐Shell Absorber Part of the Outflow in Active Galactic Nuclei?
journal, October 2005
- Holczer, Tomer; Behar, Ehud; Kaspi, Shai
- The Astrophysical Journal, Vol. 632, Issue 2
Condensed Matter Astrophysics: a Prescription for Determining the Species-Specific Composition and Quantity of Interstellar dust Using X-Rays
journal, August 2009
- Lee, Julia C.; Xiang, Jingen; Ravel, Bruce
- The Astrophysical Journal, Vol. 702, Issue 2
Soft X‐Ray Absorption by Fe 0+ to Fe 15+ in Active Galactic Nuclei
journal, December 2001
- Behar, Ehud; Sako, Masao; Kahn, Steven M.
- The Astrophysical Journal, Vol. 563, Issue 2
Ratip – a toolbox for studying the properties of open-shell atoms and ions
journal, March 2001
- Fritzsche, S.
- Journal of Electron Spectroscopy and Related Phenomena, Vol. 114-116
Neon in ultrashort and intense x-rays from free electron lasers
journal, February 2018
- Buth, Christian; Beerwerth, Randolf; Obaid, Razib
- Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 51, Issue 5
Relativistic Quantum Theory of Atoms and Molecules
book, January 2007
- Grant, I. P.
- Springer Series on Atomic, Optical, and Plasma Physics
Atomic data from the iron project: LXI. Radiative E1, E2, E3, and M1 transition probabilities for Fe IV
journal, February 2006
- Nahar, S. N.
- Astronomy & Astrophysics, Vol. 448, Issue 2
Triple ionization of atomic Cd involving and inner-shell holes
journal, August 2015
- Andersson, J.; Beerwerth, R.; Linusson, P.
- Physical Review A, Vol. 92, Issue 2
Atomic data from the Iron Project: XLV. Relativistic transition probabilities for carbon-like
Ar XIII and Fe XXI using Breit-Pauli R-matrix method
journal, December 2000
- Nahar, S. N.
- Astronomy and Astrophysics Supplement Series, Vol. 147, Issue 2
Prominent role of multielectron processes in -shell double and triple photodetachment of oxygen anions
journal, October 2016
- Schippers, S.; Beerwerth, R.; Abrok, L.
- Physical Review A, Vol. 94, Issue 4
The grasp2K relativistic atomic structure package
journal, October 2007
- Jönsson, P.; He, X.; Froese Fischer, C.
- Computer Physics Communications, Vol. 177, Issue 7
The Variable Polarization XUV Beamline P04 at PETRA III: Optics, mechanics and their performance
journal, May 2013
- Viefhaus, Jens; Scholz, Frank; Deinert, Sascha
- Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, Vol. 710
Atomic -Shell Coster-Kronig, Auger, and Radiative Rates, and Fluorescence Yields for Ca-Th
journal, March 1972
- McGuire, Eugene J.
- Physical Review A, Vol. 5, Issue 3
Near L -edge Single and Multiple Photoionization of Singly Charged Iron Ions
journal, October 2017
- Schippers, Stefan; Martins, Michael; Beerwerth, Randolf
- The Astrophysical Journal, Vol. 849, Issue 1
Absolute cross sections for photoionization of Xe q + ions ( 1 ⩽ q ⩽ 5 ) at the 3d ionization threshold
journal, May 2014
- Schippers, S.; Ricz, S.; Buhr, T.
- Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 47, Issue 11
MCDF calculations of Auger cascade processes
journal, October 2017
- Beerwerth, Randolf; Fritzsche, Stephan
- The European Physical Journal D, Vol. 71, Issue 10
Atomic data from the iron project: LV. Electron impact excitation of Ni II
journal, May 2004
- Bautista, M. A.
- Astronomy & Astrophysics, Vol. 420, Issue 2
x-ray absorption of free transition-metal cations across the 3 transition elements: Calcium through copper
journal, June 2012
- Hirsch, K.; Zamudio-Bayer, V.; Ameseder, F.
- Physical Review A, Vol. 85, Issue 6
The Theory of Atomic Structure and Spectra
book, December 1981
- Cowan, Robert D.
- Los Alamos Series in Basic and Applied Sciences, Vol. 3
Photoionisation of ions with synchrotron radiation: from ions in space to atoms in cages
journal, November 2015
- Schippers, Stefan; Kilcoyne, A. L. David; Phaneuf, Ronald A.
- Contemporary Physics, Vol. 57, Issue 2
Resonant and Near-Threshold Photoionization Cross Sections of
journal, October 2010
- Simon, M. C.; Crespo López-Urrutia, J. R.; Beilmann, C.
- Physical Review Letters, Vol. 105, Issue 18
Subshell Photoionization Cross Sections and Ionization Energies of Atoms and Ions from He to Zn
journal, November 1993
- Verner, D. A.; Yakovlev, D. G.; Band, I. M.
- Atomic Data and Nuclear Data Tables, Vol. 55, Issue 2
Multiconfiguration Dirac-Hartree-Fock energy levels and transition probabilities for 3 d 5 in Fe iv
journal, December 2008
- Froese Fischer, C.; Rubin, R. H.; Rodríguez, M.
- Monthly Notices of the Royal Astronomical Society, Vol. 391, Issue 4
Absolute Photoionization Cross Section for Fe 6+ to Fe 10+ Ions in the Photon Energy Region of the 2p–3d Resonance Lines
journal, January 2018
- Blancard, C.; Cubaynes, D.; Guilbaud, S.
- The Astrophysical Journal, Vol. 853, Issue 1
Multiconfiguration Dirac-Hartree-Fock energy levels and transition probabilities for 3d^5 in Fe IV
text, January 2008
- Fischer, C. Froese; Rubin, R. H.; Rodríguez, M.
- arXiv
Neon in ultrashort and intense x rays from free electron lasers
text, January 2017
- Buth, Christian; Beerwerth, Randolf; Obaid, Razib
- arXiv