Diagram, valence-to-core, and hypersatellite Kβ X-ray transitions in metallic chromium
Abstract
Here, we identify measurements of the Kβ diagram, valence-to-core (VtC), and hypersatellite X-ray spectra induced in metallic Cr by photon single and double K-shell ionization. The experiment was carried out at the Stanford Synchrotron Radiation Lightsource using the seven-crystal Johann-type hard X-ray spectrometer of the beamline 6-2. For the Kβ diagram and VtC transitions, the present study confirms the line shape features observed in previous works, whereas the Khβ hypersatellite transition was found to exhibit a complex spectral line shape and a characteristic low-energy shoulder. The energy shift of the hypersatellite relative to the parent diagram line was deduced from the measurements and compared with the result of extensive multiconfiguration Dirac–Fock (MCDF) calculations. A signifcant agreement between experiment and theory was found. The MCDF calculations were also used to compute the theoretical line shape of the hypersatellite. A satisfactory agreement was obtained between the overall shapes of the experimental and theoretical spectra, but deviations were observed on the low- and high-energy flanks of the hypersatellite line. The discrepancies were explained by chemical effects, which were not considered in the MCDF calculations performed for isolated atoms.
- Authors:
-
- Univ. of Fribourg (Switzerland)
- SLAC National Accelerator Lab., Menlo Park, CA (United States)
- Jozef Stefan Inst. (IJS), Ljubljana (Slovenia)
- New Univ. of Lisbon (NOVA), Caparica (Portugal)
- LIP-Laboratório de Instrumentação e Física Experimental de Partículas, Lisboa (Portugal)
- New University of Lisbon (NOVA), Caparica (Portugal); Sorbonne Universités, Paris (France)
- Sorbonne Universités, Paris (France)
- Univ. of Lisbon (Portugal)
- Publication Date:
- Research Org.:
- SLAC National Accelerator Lab., Menlo Park, CA (United States)
- Sponsoring Org.:
- Swiss National Science Foundation (SNSF); USDOE
- OSTI Identifier:
- 1529495
- Grant/Contract Number:
- AC02-76SF00515; 2000020-146739; PTDC/FIS-AQM/31969/2017; SFRH/BPD/92455/2013; UID/FIS/04559/2013; UID/MULTI/04046/2013
- Resource Type:
- Accepted Manuscript
- Journal Name:
- X-Ray Spectrometry, XRS
- Additional Journal Information:
- Journal Volume: 48; Journal Issue: 5; Journal ID: ISSN 0049-8246
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 74 ATOMIC AND MOLECULAR PHYSICS
Citation Formats
Zeeshan, Faisal, Hoszowska, Joanna, Dousse, Jean-Claude, Sokaras, Dimosthenis, Weng, Tsu-Chien, Alonso-Mori, Roberto, Kavčič, Matjaz, Guerra, Mauro, Sampaio, Jorge Miguel, Parente, Fernando, Indelicato, Paul, Marques, José Pires, and Santos, José Paulo. Diagram, valence-to-core, and hypersatellite Kβ X-ray transitions in metallic chromium. United States: N. p., 2019.
Web. doi:10.1002/xrs.3019.
Zeeshan, Faisal, Hoszowska, Joanna, Dousse, Jean-Claude, Sokaras, Dimosthenis, Weng, Tsu-Chien, Alonso-Mori, Roberto, Kavčič, Matjaz, Guerra, Mauro, Sampaio, Jorge Miguel, Parente, Fernando, Indelicato, Paul, Marques, José Pires, & Santos, José Paulo. Diagram, valence-to-core, and hypersatellite Kβ X-ray transitions in metallic chromium. United States. https://doi.org/10.1002/xrs.3019
Zeeshan, Faisal, Hoszowska, Joanna, Dousse, Jean-Claude, Sokaras, Dimosthenis, Weng, Tsu-Chien, Alonso-Mori, Roberto, Kavčič, Matjaz, Guerra, Mauro, Sampaio, Jorge Miguel, Parente, Fernando, Indelicato, Paul, Marques, José Pires, and Santos, José Paulo. Wed .
"Diagram, valence-to-core, and hypersatellite Kβ X-ray transitions in metallic chromium". United States. https://doi.org/10.1002/xrs.3019. https://www.osti.gov/servlets/purl/1529495.
@article{osti_1529495,
title = {Diagram, valence-to-core, and hypersatellite Kβ X-ray transitions in metallic chromium},
author = {Zeeshan, Faisal and Hoszowska, Joanna and Dousse, Jean-Claude and Sokaras, Dimosthenis and Weng, Tsu-Chien and Alonso-Mori, Roberto and Kavčič, Matjaz and Guerra, Mauro and Sampaio, Jorge Miguel and Parente, Fernando and Indelicato, Paul and Marques, José Pires and Santos, José Paulo},
abstractNote = {Here, we identify measurements of the Kβ diagram, valence-to-core (VtC), and hypersatellite X-ray spectra induced in metallic Cr by photon single and double K-shell ionization. The experiment was carried out at the Stanford Synchrotron Radiation Lightsource using the seven-crystal Johann-type hard X-ray spectrometer of the beamline 6-2. For the Kβ diagram and VtC transitions, the present study confirms the line shape features observed in previous works, whereas the Khβ hypersatellite transition was found to exhibit a complex spectral line shape and a characteristic low-energy shoulder. The energy shift of the hypersatellite relative to the parent diagram line was deduced from the measurements and compared with the result of extensive multiconfiguration Dirac–Fock (MCDF) calculations. A signifcant agreement between experiment and theory was found. The MCDF calculations were also used to compute the theoretical line shape of the hypersatellite. A satisfactory agreement was obtained between the overall shapes of the experimental and theoretical spectra, but deviations were observed on the low- and high-energy flanks of the hypersatellite line. The discrepancies were explained by chemical effects, which were not considered in the MCDF calculations performed for isolated atoms.},
doi = {10.1002/xrs.3019},
journal = {X-Ray Spectrometry, XRS},
number = 5,
volume = 48,
place = {United States},
year = {Wed Feb 13 00:00:00 EST 2019},
month = {Wed Feb 13 00:00:00 EST 2019}
}
Web of Science
Works referenced in this record:
Probing the 3d Spin Momentum with X-ray Emission Spectroscopy: The Case of Molecular-Spin Transitions
journal, June 2006
- Vankó, György; Neisius, Thomas; Molnár, Gábor
- The Journal of Physical Chemistry B, Vol. 110, Issue 24
and x-ray emission lines of the transition metals
journal, December 1997
- Hölzer, G.; Fritsch, M.; Deutsch, M.
- Physical Review A, Vol. 56, Issue 6
Dependence with the oxidation state of X-ray transition energies, intensities and natural line widths of CrKβ spectra
journal, June 2006
- Torres Deluigi, M.; Tirao, G.; Stutz, G.
- Chemical Physics, Vol. 325, Issue 2-3
A multiconfiguration relativistic DIRAC-FOCK program
journal, January 1975
- Desclaux, J. P.
- Computer Physics Communications, Vol. 9, Issue 1
Effect of the Breit interaction on x-ray hypersatellite spectra
journal, January 1982
- Chen, Mau Hsiung; Crasemann, Bernd; Mark, Hans
- Physical Review A, Vol. 25, Issue 1
X-ray Mn emission spectra of manganese oxides and manganates
journal, January 1976
- Tsutsumi, Kenjiro; Nakamori, Hiroo; Ichikawa, Kouichi
- Physical Review B, Vol. 13, Issue 2
Crossover and valence band Kβ X-rays of chromium oxides
journal, June 2011
- Fazinić, Stjepko; Mandić, Luka; Kavčič, Matjaž
- Spectrochimica Acta Part B: Atomic Spectroscopy, Vol. 66, Issue 6
A multi-crystal spectrometer with a two-dimensional position-sensitive detector and contour maps of resonant Kβ emission in Mn compounds
journal, May 2004
- Hayashi, Hisashi; Kawata, Masaki; Takeda, Rumi
- Journal of Electron Spectroscopy and Related Phenomena, Vol. 136, Issue 1-2
High resolution 1s core hole X-ray spectroscopy in 3d transition metal complexes—electronic and structural information
journal, January 2005
- Glatzel, Pieter; Bergmann, Uwe
- Coordination Chemistry Reviews, Vol. 249, Issue 1-2
Five-element Johann-type x-ray emission spectrometer with a single-photon-counting pixel detector
journal, June 2011
- Kleymenov, Evgeny; van Bokhoven, Jeroen A.; David, Christian
- Review of Scientific Instruments, Vol. 82, Issue 6
X-ray hypersatellite spectra of hollow atoms
journal, July 2004
- Huotari, S.; Hämäläinen, K.; Diamant, R.
- Journal of Electron Spectroscopy and Related Phenomena, Vol. 137-140
A von Hamos x-ray spectrometer based on a segmented-type diffraction crystal for single-shot x-ray emission spectroscopy and time-resolved resonant inelastic x-ray scattering studies
journal, October 2012
- Szlachetko, J.; Nachtegaal, M.; de Boni, E.
- Review of Scientific Instruments, Vol. 83, Issue 10
High-resolution spectroscopy on an X-ray absorption beamline
journal, January 2009
- Hazemann, Jean-Louis; Proux, Olivier; Nassif, Vivian
- Journal of Synchrotron Radiation, Vol. 16, Issue 2
Design and performance of a versatile curved-crystal spectrometer for high-resolution spectroscopy in the tender x-ray range
journal, March 2012
- Kavčič, M.; Budnar, M.; Mühleisen, A.
- Review of Scientific Instruments, Vol. 83, Issue 3
Valence-to-Core X-ray Emission Spectroscopy Identification of Carbide Compounds in Nanocrystalline Cr Coatings Deposited from Cr(III) Electrolytes Containing Organic Substances
journal, November 2006
- Safonov, Viktor A.; Vykhodtseva, Ludmila N.; Polukarov, Yurii M.
- The Journal of Physical Chemistry B, Vol. 110, Issue 46
Multiconfigurational Dirac-Fock studies of two-electron ions. II. Radiative corrections and comparison with experiment
journal, February 1987
- Indelicato, P.; Gorveix, O.; Desclaux, J. P.
- Journal of Physics B: Atomic and Molecular Physics, Vol. 20, Issue 4
Multiconfiguration Dirac-Fock studies of two-electron ions. I. Electron-electron interaction
journal, February 1987
- Gorceix, O.; Indelicato, P.; Desclaux, J. P.
- Journal of Physics B: Atomic and Molecular Physics, Vol. 20, Issue 4
Projection operators in multiconfiguration Dirac-Fock calculations: Application to the ground state of heliumlike ions
journal, February 1995
- Indelicato, P.
- Physical Review A, Vol. 51, Issue 2
Oxidation state characterization in Cr oxides by means of Cr-Kβ emission spectroscopy
journal, March 2010
- Tirao, G.; Ceppi, S.; Cappelletti, A. L.
- Journal of Physics and Chemistry of Solids, Vol. 71, Issue 3
Energy-dispersive X-ray emission spectroscopy using an X-ray free-electron laser in a shot-by-shot mode
journal, November 2012
- Alonso-Mori, R.; Kern, J.; Gildea, R. J.
- Proceedings of the National Academy of Sciences, Vol. 109, Issue 47, p. 19103-19107
Theoretical and experimental determination of -shell decay rates, line widths, and fluorescence yields in Ge
journal, August 2015
- Guerra, M.; Sampaio, J. M.; Madeira, T. I.
- Physical Review A, Vol. 92, Issue 2
A short working distance multiple crystal x-ray spectrometer
journal, December 2008
- Dickinson, B.; Seidler, G. T.; Webb, Z. W.
- Review of Scientific Instruments, Vol. 79, Issue 12
Multiconfiguration dirac-fock calculations of transition energies in two electron ions with 10 ≤ Z ≤ 92
journal, April 1988
- Indelicato, P.
- Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 31, Issue 1-2
Relativistic correlation correction to the binding energies of the ground configuration of beryllium-like, neon-like, magnesium-like and argon-like ions
journal, January 2006
- Santos, J. P.; Rodrigues, G. C.; Marques, J. P.
- The European Physical Journal D, Vol. 37, Issue 2
hypersatellites of transition metals and their photoexcitation energy dependence
journal, June 2009
- Diamant, R.; Huotari, S.; Hämäläinen, K.
- Physical Review A, Vol. 79, Issue 6
Correlation and Negative Continuum Effects for the Relativistic Transition in Two-Electron Ions using the Multiconfiguration Dirac-Fock Method
journal, October 1996
- Indelicato, P.
- Physical Review Letters, Vol. 77, Issue 16
Theoretical and experimental determination of - and -shell x-ray relaxation parameters in Ni
journal, April 2018
- Guerra, M.; Sampaio, J. M.; Parente, F.
- Physical Review A, Vol. 97, Issue 4
Probing Valence Orbital Composition with Iron Kβ X-ray Emission Spectroscopy
journal, July 2010
- Lee, Nicole; Petrenko, Taras; Bergmann, Uwe
- Journal of the American Chemical Society, Vol. 132, Issue 28
Second order radiative contributions in the Kβ1,3 X-ray spectra of 3d transition metals and their dependence on the chemical state of the element
journal, September 2003
- Uršič, Mitja; Kavčič, Matjaž; Budnar, Miloš
- Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 211, Issue 1
Experimental determination of the energy of K hypersatellite lines for various elements
journal, August 1974
- Briand, J. P.; Chevalier, P.; Johnson, A.
- Physics Letters A, Vol. 49, Issue 1
Relativistic calculation of Kβ hypersatellite energies and transition probabilities for selected atoms with 13 ⩽ Z ⩽ 80
journal, May 2006
- Costa, A. M.; Martins, M. C.; Santos, J. P.
- Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 39, Issue 11
Chemical dependence of second-order radiative contributions in the x-ray spectra of vanadium and its compounds
journal, December 2006
- Fazinić, Stjepko; Jakšić, Milko; Mandić, Luka
- Physical Review A, Vol. 74, Issue 6
Relativistic calculation of two-electron one-photon and hypersatellite transition energies for 12 Z 30 elements
journal, September 2004
- Martins, M. C.; Costa, A. M.; Santos, J. P.
- Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 37, Issue 19
Quantum Theory of Many-Particle Systems. I. Physical Interpretations by Means of Density Matrices, Natural Spin-Orbitals, and Convergence Problems in the Method of Configurational Interaction
journal, March 1955
- Löwdin, Per-Olov
- Physical Review, Vol. 97, Issue 6
Structure of high-resolution x-ray emission spectra for the elements from Ca to Ge
journal, May 2018
- Ito, Y.; Tochio, T.; Yamashita, M.
- Physical Review A, Vol. 97, Issue 5
satellite and forbidden transitions in elements with induced by electron impact
journal, January 2010
- Limandri, Silvina P.; Carreras, Alejo C.; Bonetto, Rita D.
- Physical Review A, Vol. 81, Issue 1
High-resolution XES and RIXS studies with a von Hamos Bragg crystal spectrometer
journal, July 2004
- Hoszowska, J.; Dousse, J. -Cl
- Journal of Electron Spectroscopy and Related Phenomena, Vol. 137-140
Chemical effects in chromium L X-rays
journal, April 1993
- lihara, J.; Omori, T.; Yoshihara, K.
- Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 75, Issue 1-4
Widths of the Atomic k–n7 Levels
journal, January 2001
- Campbell, J. L.; Papp, Tibor
- Atomic Data and Nuclear Data Tables, Vol. 77, Issue 1
Determination of the Gaussian and Lorentzian content of experimental line shapes
journal, November 1974
- Wertheim, G. K.; Butler, M. A.; West, K. W.
- Review of Scientific Instruments, Vol. 45, Issue 11
The structure of Kα hypersatellite spectra of Cu, Ni and Fe as a test of intermediate coupling
journal, May 1976
- Briand, J. P.; Touati, A.; Frilley, M.
- Journal of Physics B: Atomic and Molecular Physics, Vol. 9, Issue 7
Multiconfiguration Dirac-Fock calculations of transition energies with QED corrections in three-electron ions
journal, November 1990
- Indelicato, P.; Desclaux, J. P.
- Physical Review A, Vol. 42, Issue 9
High-resolution von Hamos crystal X-ray spectrometer
journal, June 1996
- Hoszowska, J.; Dousse, J. -Cl.; Kern, J.
- Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, Vol. 376, Issue 1
X-ray Emission Spectroscopy To Study Ligand Valence Orbitals in Mn Coordination Complexes
journal, September 2009
- Smolentsev, Grigory; Soldatov, Alexander V.; Messinger, Johannes
- Journal of the American Chemical Society, Vol. 131, Issue 36
Diagram X-Ray Emission Spectra of a Hollow Atom: The and Hypersatellites of Fe
journal, November 2003
- Diamant, R.; Huotari, S.; Hämäläinen, K.
- Physical Review Letters, Vol. 91, Issue 19
A seven-crystal Johann-type hard x-ray spectrometer at the Stanford Synchrotron Radiation Lightsource
journal, May 2013
- Sokaras, D.; Weng, T. -C.; Nordlund, D.
- Review of Scientific Instruments, Vol. 84, Issue 5
Chemical dependence of interatomic X-ray transition energies and intensities – a study of Mn Kβ″ and Kβ2,5 spectra
journal, March 1999
- Bergmann, U.; Horne, C. R.; Collins, T. J.
- Chemical Physics Letters, Vol. 302, Issue 1-2
High-resolution manganese x-ray fluorescence spectroscopy. Oxidation-state and spin-state sensitivity
journal, April 1994
- Peng, G.; deGroot, F. M. F.; Haemaelaeinen, K.
- Journal of the American Chemical Society, Vol. 116, Issue 7
Performances of a bent-crystal spectrometer adapted to resonant x-ray emission measurements on gas-phase samples
journal, September 2009
- Journel, Loïc; El Khoury, Lara; Marin, Thierry
- Review of Scientific Instruments, Vol. 80, Issue 9
The CrK Series X-Ray Emission Spectra
journal, January 1982
- Sørum, H.; Weng, O. M.; Bremer, J.
- physica status solidi (b), Vol. 109, Issue 1
High-resolution large-acceptance analyzer for x-ray fluorescence and Raman spectroscopy
conference, December 1998
- Bergmann, Uwe; Cramer, Stephen P.
- SPIE's International Symposium on Optical Science, Engineering, and Instrumentation, SPIE Proceedings
A multiconfiguration relativistic Dirac-Fock program
journal, January 1984
- Desclaux, J. P.
- Computer Physics Communications, Vol. 35