Auger and Coster-Kronig radial matrix elements for atomic numbers 6 ≤ Z ≤ 92
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Analysis of valence XPS and AES of (PP, P4VP, PVME, PPS, PTFE) polymers by DFT calculations using the model molecules
2016, Journal of Molecular StructureCitation Excerpt :We calculated the intensity of the VXPS using the values in Table 1, as given by the relative photoionization cross-section for Al Kα radiation using the Gelius intensity model [27] combined with the relative atomic photoionization cross-section by Yeh [28]. In the case of AES, we used the theoretical subshell Auger transition values in Table 2 from Chen and co-workers [29]. For the experimental VXPS and AES of polymers, we cited the spectra edited by Beamson and Briggs [2].
Analysis of valence XPS and AES of C, N, O, and F-containing substances by DFT calculations using the model molecules
2015, Chemical PhysicsCitation Excerpt :The DFT calculations were performed with the exchange–correlation potential labeled B88/P86, made from Becke’s 1988 exchange functional [32] and Perdew’s 1986 correlation functional [33]. In the deMon-KS DFT program, we used an “fine” and “nonrandom” grid and the correlation-consistent polarized valence triple-ζ (cc-pVTZ) [Li, C, N, O, F] bases of Dunning and coworkers [34] and polarized valence double-ζ (DZVP) of (41/1∗), (6321/521/1∗), (63321/5321∗/41+) for [H, Si, Ga] bases [21], respectively, to calculate CEBEs and VIPs of the model molecules with auxiliary fitting functions labeled (4,4;4,4) for C, N, O and F, (3,1;3,1) for H, (4,3;4,3) for Li, (5,4;5,4) for Si and (5,5;5,5) for Ga. Valence X-ray photoelectron spectra of each pellet sample (graphite, GaN, SiO2, LiF) were obtained on a PHI 5400MC ESCA spectrometer using monochromatized Al K α radiation.
Relativistic M-subshell radiationless transition probabilities and energies for Zn, Cd and Hg
2014, Atomic Data and Nuclear Data TablesAuger electron transitions from Li- and Be-like ions with 14 ≤ Z ≤ 36
2010, Physics Letters, Section A: General, Atomic and Solid State PhysicsCitation Excerpt :In the present study, the radial matrix elements tabulated by Chen et al. [20] evaluated in frozen orbital approximation using jj coupled Dirac–Hartree–Slater (DHS) wavefunctions corresponding to the initial state that contains one inner-shell vacancy and no spectator vacancies in any other shells have been scaled to get the appropriate radial matrix elements for the configuration of interest. The coupling between the inner- and open outer-shell electrons of the neutral atom was not taken into account by Chen et al. [20] in the evaluation of matrix elements. The continuum wavefunctions were obtained by them by solving the Dirac–Slater equations with the same atomic potential as that of bound states.
Fine structure analysis of Si KL<inf>2,3</inf>V Auger spectra of Si, SiC and SiO<inf>2</inf>
2004, Journal of Electron Spectroscopy and Related PhenomenaTheoretical molecular Auger spectra with electron population analysis
2003, Journal of Electron Spectroscopy and Related Phenomena