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Open AccessArticle

Fundamental Parameters Related to Selenium Kα and Kβ Emission X-ray Spectra

1
Laboratory of Instrumentation, Biomedical Engineering and Radiation Physics (LIBPhys-UNL), Department of Physics, NOVA School of Science and Technology, NOVA University Lisbon, 2829-516 Caparica, Portugal
2
LIP—Laboratory of Instrumentation and Particle Physics, Av. Prof. Gama Pinto 2, 1649-003 Lisboa, Portugal
3
BioISI—Biosystems & Integrative Sciences Institute, Faculdade de Ciências da Universidade de Lisboa, Campo Grande, C8, 1749-016 Lisboa, Portugal
4
Laboratoire Kastler Brossel, Sorbonne Université, CNRS, ENS-PSL Research University, Collège de France, Case 74, 4, place Jussieu, F-75005 Paris, France
*
Author to whom correspondence should be addressed.
Received: 13 December 2020 / Revised: 12 January 2021 / Accepted: 14 January 2021 / Published: 22 January 2021
We present relativistic ab initio calculations of fundamental parameters for atomic selenium, based on the Multiconfiguration Dirac-Fock method. In detail, fluorescence yields and subshell linewidths, both of K shell, as well as Kβ to Kα intensity ratio are provided, showing overall agreement with previous theoretical calculations and experimental values. Relative intensities were evaluated assuming the same ionization cross-section for the K-shell hole states, leading to a statistical distribution of these initial states. A method for estimating theoretical linewidths of X-ray lines, where the lines are composed by a multiplet of fine-structure levels that are spread in energy, is proposed. This method provides results that are closer to Kα1,2 experimental width values than the usual method, although slightly higher discrepancies occur for the Kβ1,3 lines. This indicates some inaccuracies in the calculation of Auger rates that have a higher contribution for partial linewidths of the subshells involved in the Kβ1,3 profile. Apart from this, the calculated value of Kβ to Kα intensity ratio, which is less sensitive to Auger rates issues, is in excellent agreement with recommended values. View Full-Text
Keywords: X-rays; atomic fundamental parameters; selenium; fluorescence yields; high-accuracy spectra simulation X-rays; atomic fundamental parameters; selenium; fluorescence yields; high-accuracy spectra simulation
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MDPI and ACS Style

Guerra, M.; Sampaio, J.M.; Vília, G.R.; Godinho, C.A.; Pinheiro, D.; Amaro, P.; Marques, J.P.; Machado, J.; Indelicato, P.; Parente, F.; Santos, J.P. Fundamental Parameters Related to Selenium Kα and Kβ Emission X-ray Spectra. Atoms 2021, 9, 8. https://0-doi-org.brum.beds.ac.uk/10.3390/atoms9010008

AMA Style

Guerra M, Sampaio JM, Vília GR, Godinho CA, Pinheiro D, Amaro P, Marques JP, Machado J, Indelicato P, Parente F, Santos JP. Fundamental Parameters Related to Selenium Kα and Kβ Emission X-ray Spectra. Atoms. 2021; 9(1):8. https://0-doi-org.brum.beds.ac.uk/10.3390/atoms9010008

Chicago/Turabian Style

Guerra, Mauro; Sampaio, Jorge M.; Vília, Gonçalo R.; Godinho, César A.; Pinheiro, Daniel; Amaro, Pedro; Marques, José P.; Machado, Jorge; Indelicato, Paul; Parente, Fernando; Santos, José P. 2021. "Fundamental Parameters Related to Selenium Kα and Kβ Emission X-ray Spectra" Atoms 9, no. 1: 8. https://0-doi-org.brum.beds.ac.uk/10.3390/atoms9010008

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