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Title: 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 » transition of a (sub)valence electron is required to gain the necessary energy for the release of the Auger electron.« less

Authors:
ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [2]; ORCiD logo [1]; ORCiD logo [3]; ORCiD logo [2]; ORCiD logo [4];  [5];  [6]; ORCiD logo [7];  [3]; ORCiD logo [5]; ORCiD logo [2]; ORCiD logo [1]; ORCiD logo [2]
  1. Helmholtz-Inst., Jena (Germany); Friedrich-Schiller-Univ., Jena (Germany)
  2. Justus-Liebig-Univ., Giessen (Germany)
  3. Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany)
  4. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Advanced Light Source (ALS)
  5. Univ. Hamburg (Germany)
  6. Hungarian Academy of Sciences, Debrecen (Hungary)
  7. Columbia Univ., New York, NY (United States)
Publication Date:
Research Org.:
Lawrence Berkeley National Lab. (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. 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, & 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 = {2019},
month = {12}
}

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Works referenced in this record:

New version: Grasp2K relativistic atomic structure package
journal, September 2013


The Ratip program for relativistic calculations of atomic transition, ionization and recombination properties
journal, July 2012


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
  • DOI: 10.3847/1538-4357/836/2/166

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
  • DOI: 10.1086/190605

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
  • DOI: 10.1016/j.elspec.2013.03.005

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
  • DOI: 10.1086/444492

Condensed Matter Astrophysics: a Prescription for Determining the Species-Specific Composition and Quantity of Interstellar dust Using X-Rays
journal, August 2009


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
  • DOI: 10.1086/323966

Ratip – a toolbox for studying the properties of open-shell atoms and ions
journal, March 2001


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
  • DOI: 10.1088/1361-6455/aaa39a

Atomic data from the iron project: LXI. Radiative E1, E2, E3, and M1 transition probabilities for Fe IV
journal, February 2006


Triple ionization of atomic Cd involving 4 p 1 and 4 s 1 inner-shell holes
journal, August 2015


Prominent role of multielectron processes in K -shell double and triple photodetachment of oxygen anions
journal, October 2016


The grasp2K relativistic atomic structure package
journal, October 2007


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
  • DOI: 10.1016/j.nima.2012.10.110

Atomic M -Shell Coster-Kronig, Auger, and Radiative Rates, and Fluorescence Yields for Ca-Th
journal, March 1972


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
  • DOI: 10.3847/1538-4357/aa8fcc

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
  • DOI: 10.1088/0953-4075/47/11/115602

MCDF calculations of Auger cascade processes
journal, October 2017


2 p x-ray absorption of free transition-metal cations across the 3 d transition elements: Calcium through copper
journal, June 2012


Photoionisation of ions with synchrotron radiation: from ions in space to atoms in cages
journal, November 2015


Resonant and Near-Threshold Photoionization Cross Sections of Fe 14 +
journal, October 2010


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
  • DOI: 10.1006/adnd.1993.1022

Multiconfiguration Dirac-Hartree-Fock energy levels and transition probabilities for 3 d 5 in Fe iv
journal, December 2008


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


    Works referencing / citing this record:

    Near L -edge Single and Multiple Photoionization of Triply Charged Iron Ions
    text, January 2019

    • Beerwerth, Randolf; Buhr, Ticia; Perry-Sassmannshausen, Alexander
    • Deutsches Elektronen-Synchrotron, DESY, Hamburg
    • DOI: 10.3204/pubdb-2019-05601