Data format of CONFIG.DAT
Chemical_Symbol
Density [g/cm3]
Atomic_Number
Atomic_Weight [u.]
Number_of_electronic_shells
Name_of_the_shell Threshold Jump Fluor._Yield Number_of_transitions
Line-symbol Line-energy Line-fraction Line-width
f12 f13 f23
where:
Chemical _Symbol: One or two characters (H, He, etc.) Format (A2)
Density [g/cm3]: Real number in [g/cm3]
Taken from Cullen et al. [1]. Format (F8.4)
Atomic_Number: Integer value between 1 and 92 Format (I3)
Atomic_Weight: Real number for the atomic weight in atomic units.
Taken from DeLaeter. [2]
Missing elements in DeLaeter. [2] are taken from Cullen et al. [1].
Number_of_electronic _shells: Integer number
Name_of _the_shell: One of (K, L1, L2, L3, M1, M2, M3, M4, N1, N2, N3.)
Symbols denote the X-ray absorption edges for the K, L, M and N shells.
Threshold [keV]: Real number for the energy in keV.
The edge energies were taken from Cullen et al. [1], except:
K edges of elements with Z=16-19 and 31-42, and LIII-edge of Palladium Z=46, which were taken from Bearden and Burr [3].
The reason of this choice was to avoid the error of having lines with energy greater than the energy of the corresponding absorption edge.
Jump: a real number for the ratio t> / t<, computed from
the photoelectric cross sections in Cullen et al. [1].
Fluorescence_yield: a real number for the fluorescence yield.
K fluorescence yields were mainly taken from Bambyneket al. [4], Krause [5] and Hubbell et al. [6].
L fluorescence yields were taken from Krause [5] and more recently, from Puri et al. [7].
M and N fluorescence yields were taken from Hubbell et al. [6].
Number_of _transitions: Integer number
Line format: (A2,3X,F8.4,1X,F7.4,1X,F6.4,2X,I1)
Line-symbol: one of (A, A1, A2, A3, B, B1, B2, B2I, B2II, B3, B4, B5,L, etc.). Notation follows Bearden [8].
Line-energy [keV]: a real number for the energy of the line in keV. Line energies were taken from Bearden [8].
Line-fraction: a real number for the probability of the line in the series to which it belongs.
Fractions for K-lines were calculated from Table I, Scofield [9], with the program LINFRAC1.PAS, by assuming that Kb'1 = Kb1 + Kb3 + Kb5 and that Kb'2 = Kb2 + Kb4 + (K-O2,3) + (K-P2,3). The last choice cannot explain the KB2 line splitting in KB2I and KB2II. See the footnotes.
Fractions for L-lines were computed from Tables II, III and IV, Scofield [10] with the program LINFRACL.PAS, by making the ratio between the line emission rate and the total emission rate of the series.
Line-width [eV]: a real number for the natural width of the X-ray line.
Natural widths of K-lines were taken from Table 1 in Krause and Oliver [11].
Widths for L-lines were taken from the tables or estimated from the table and figures of Salem and Lee [12].The widhts of the lines which are not explicitly available in literature were made equal to the line width of the nearest line (in energy) belonging to the same series. These values were checked by estimating the addition of the level widths involved in the transition, which were plotted in Keski-Rahkonen and Krause [13].
Line format: four fields separated by blanck(s)
L-shell Coster-Kronig transition probabilities f12, f13, and f23: a real number representing one of the Coster-Kronig transition probabilities from Krause and Oliver [11]. Depending on the associated edge, is the transition probability included: f12 is given with the edge L1, f13 with the edge L2, and f23 with the edge L3. All the other edges have null transition probabilities.
Line format: three fields separated by blanck(s)
REFERENCES
1. D.E. Cullen, M.H. Chen, J.H. Hubbell, S.T. Perkins, E.F. Plechaty, J.A. Rathkopf and J.H. Scofield, Tables and Graphs of Photon-Interaction Cross Sections from 10 eV to 100 GeV Derived from the LLNL Evaluated Photon Data Library (EPDL), Lawrence Livermore National Laboratory Report UCRL-5400, Vol. 6, Parts A and B, Rev. 4 (1989).
2. J.R. DeLaeter, J. Phys. Chem. Ref. Data 17, 1791-1793 (1988).
3. J.A. Bearden and F. Burr, Reevaluation of X-ray atomic energy levels. Rev. Mod. Phys. 39, 125-142 (1967).
4. W. Bambynek, B. Craseman, R.W. Fink, H.U. Freund, H. Mark, C.D. Swift, R.E. Price, P. Venugopala Rao, X-Ray Fluorescence Yields, Auger, and Koster-Kronig Transition Probabilities, Rev. Mod. Phys. 44, 716-813 (1972).
5. M.O. Krause, Atomic Radiative and Radiationless Yields for K and L Shells, J. Phys. Chem. Ref. Data 8, 307-327 (1979).
6. J.H. Hubbell, P.N. Trehan, Nirmal Singh, B. Chand, D. Metha, M.L. Garg, R.R. Garg, Surinder Singh and S. Puri, A review, Bibliography, and Tabulation of K, L, and Higher Atomic Shell X-Ray Fluorescence Yields, J. Phys. Chem. Ref. Data, 23, 339-364 (1994).
7. S. Puri, D. Metha, B. Chand, Nirmal Singh and P.N. Trehan, L Shell Fluorescence Yields and Coster-Kronig Transition Probabilities for the Elements with 25 <= Z <= 96, X-Ray Spectrom. 22, 358-361 (1993).
8. J.A. Bearden, Rev. Mod. Phys. 39, 78-124 (1967).
9. J.H. Scofield, 'Radiative Transitions' in: Atomic Inner Shell Processes, Vol I (ed. B. Crasemann), Academic Press (New York, 1975).
10. J.H. Scofield, Phys. Rev. 179, 9-16 (1969).
11. M.O. Krause and J.H. Oliver, J. Phys. Chem. Ref. Data 8, 329-338 (1979).
12. S.I. Salem and P.L. Lee, At. Data Nucl. Data Tables 18, 233-241 (1976).
13. O. Keski-Rahkonen and M.O. Krause, At. Data Nucl. Data Tables 14, 139-146 (1974).
NOTES
1. In a precedent version (v 2.12) the fractions for K-lines were calculated from Table I, Ref [4], with the program LINFRACK.PAS, by making the ratio between the line emission rate and the total emission rate of the series. This table might explain the KB2 line splitting in KB2I and KB2II, but gave unnatural Ka/Kb fractions. Our solution was a compromise between the two alternatives. LINFRACK output data is used only for estimating the fraction between KB2I and KB2II.