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Title:Effects of the molecular potential on coexcitations of valence electrons in the K-shell photoeffect of 3p and 4p elements
Authors:ID Hauko, Robert, UNI-MB (Author)
ID Padežnik Gomilšek, Jana, UNI-MB (Author)
ID Kodre, Alojz, UNI-LJ (Author)
ID Arčon, Iztok, UNG (Author)
ID Aquilanti, Giuliana, Elettra (Author)
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Language:English
Work type:Not categorized
Typology:1.01 - Original Scientific Article
Organization:UNG - University of Nova Gorica
Abstract:Photoabsorption spectra of gaseous hydrides of 3p (PH3, H2S, HCl) and 4p elements (GeH4, AsH3 , H2Se, HBr) are measured in the energy region within 50 eV above the K edge, to study coexcitations of valence electrons by photoeffect in the K shell. The analysis of the valence coexcitations is extended to Ar, Kr, and SiH4. Relative probabilities and energies of states in the individual coexcitation channels are recovered by modeling the spectral features with a minimal ansatz based on the features in the contiguous noble gas. The extracted parameters are compared to the results of theoretical calculations for molecules (ORCA code) and free atoms (Hartree-Fock code). The experimental results confirm that the valence coexcitations in the 3p and 4p hydride molecules can be satisfactorily described by a two-step process, with the shake of the outer electron following the excitation of the core electron. The total probability—relative to the K-edge jump—of the shake-up processes shows a steady decrease from 19% in Si to 14% in Cl, and from 15% in Ge to 12% in Br. The experimental values for Ar (12%) and Kr (10%) are in accord with the trend. The dominant contribution is the transition to quasiatomic orbitals, in contrast with the deeper coexcitation channels in hydride molecules where transition to molecular orbitals prevails.
Keywords:X-ray absorption spectra, gaseous hydrides, 3p K-edge spectra, DFT
Year of publishing:2019
Number of pages:.062501-10
Numbering:#Vol. #99, #no. #6
PID:20.500.12556/RUNG-4719-aee49a7b-4eb7-4085-2421-252dba2ab51c New window
COBISS.SI-ID:22395158 New window
ISSN on article:2469-9926
DOI:10.1103/PhysRevA.99.062501 New window
NUK URN:URN:SI:UNG:REP:JJEJUMT5
Publication date in RUNG:05.09.2019
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Record is a part of a journal

Title:Physical review
Publisher:American Physical Society
Year of publishing:2019
ISSN:2469-9926
COBISS.SI-ID:2996836 New window

Secondary language

Language:Undetermined
Keywords:rentgentski žarki, absorpcijski spekter, plinski hidridi, fotoabsorpcija


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