TY - JOUR
T1 - Overview and calculation of X-ray K-shell transition yields for comprehensive data libraries
AU - Martins, Luís
AU - Amaro, Pedro
AU - Pessanha, Sofia
AU - Guerra, Mauro
AU - Machado, Jorge
AU - Carvalho, Maria Luisa
AU - Santos, José Paulo
AU - Indelicato, Paul
N1 - info:eu-repo/grantAgreement/FCT/PD/PD%2FBD%2F105919%2F2014/PT#
info:eu-repo/grantAgreement/FCT/5876/147413/PT#
PTDC/FIS-AQM/31969/2017
Programa Pessoa 2017-2018,
Proc. N 441.00 France
SFRH/BPD/94234/2013
Grant/Award Number: 17FUN02 MetroMMC
PY - 2020/5/1
Y1 - 2020/5/1
N2 - The simulation of atomic relaxation relies on data libraries with tabulated partial fluorescence yield values of radiative transitions, commonly derived from the Evaluated Atomic Data Library (EADL). However, recent studies support that the data library EADL could be improved by adopting Scofield's Hartree-Fock calculations instead of current Scofield's Hartree-Slater calculations. This work presents a bibliography overview of relevant atomic parameter values in order to verify the partial fluorescence yields presented in EADL. The references include libraries and articles, in which the atomic parameter values were theoretically calculated, experimentally measured, or obtained with semi-empirical and empirical fitting formulas. We present a comparison of total K-shell fluorescence yields and partial K-L2, K-L3, K-M2, K-M3 fluorescence yields that are either obtained directly from its references, or are derived from atomic parameters presented in these references. Additionally, we obtain comprehensive partial fluorescence yield values from the combination of semi-empirical and empirical fitting functions from different references. The comparisons performed in this work confirm that total K-shell, partial K-L2, and partial K-L3 fluorescence yield values, obtained from Scofield's Dirac-Slater calculations have better agreement with the most recent empirical values. Partial K-M2, and partial K-M3 fluorescence yield values obtained from Scofield's Dirac-Fock calculation have better agreement with the most recent empirical values. Therefore, further studies should be performed before changing the EADL data library.
AB - The simulation of atomic relaxation relies on data libraries with tabulated partial fluorescence yield values of radiative transitions, commonly derived from the Evaluated Atomic Data Library (EADL). However, recent studies support that the data library EADL could be improved by adopting Scofield's Hartree-Fock calculations instead of current Scofield's Hartree-Slater calculations. This work presents a bibliography overview of relevant atomic parameter values in order to verify the partial fluorescence yields presented in EADL. The references include libraries and articles, in which the atomic parameter values were theoretically calculated, experimentally measured, or obtained with semi-empirical and empirical fitting formulas. We present a comparison of total K-shell fluorescence yields and partial K-L2, K-L3, K-M2, K-M3 fluorescence yields that are either obtained directly from its references, or are derived from atomic parameters presented in these references. Additionally, we obtain comprehensive partial fluorescence yield values from the combination of semi-empirical and empirical fitting functions from different references. The comparisons performed in this work confirm that total K-shell, partial K-L2, and partial K-L3 fluorescence yield values, obtained from Scofield's Dirac-Slater calculations have better agreement with the most recent empirical values. Partial K-M2, and partial K-M3 fluorescence yield values obtained from Scofield's Dirac-Fock calculation have better agreement with the most recent empirical values. Therefore, further studies should be performed before changing the EADL data library.
UR - http://www.scopus.com/inward/record.url?scp=85078628587&partnerID=8YFLogxK
U2 - 10.1002/xrs.3123
DO - 10.1002/xrs.3123
M3 - Article
AN - SCOPUS:85078628587
SN - 0049-8246
VL - 49
SP - 398
EP - 423
JO - X-Ray Spectrometry
JF - X-Ray Spectrometry
IS - 3
ER -