| Title: | Effects of the molecular potential on coexcitations of valence electrons in the K-shell photoeffect of 3p and 4p elements |
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| 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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| Files: |
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| Language: | English |
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| Work type: | Not categorized |
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| Typology: | 1.01 - Original Scientific Article |
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| Organization: | UNG - University of Nova Gorica
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| 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. |
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| Keywords: | X-ray absorption spectra, gaseous hydrides, 3p K-edge spectra, DFT |
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| Year of publishing: | 2019 |
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| Number of pages: | .062501-10 |
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| Numbering: | #Vol. #99, #no. #6 |
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| PID: | 20.500.12556/RUNG-4719-aee49a7b-4eb7-4085-2421-252dba2ab51c |
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| COBISS.SI-ID: | 22395158 |
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| ISSN on article: | 2469-9926 |
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| DOI: | 10.1103/PhysRevA.99.062501 |
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| NUK URN: | URN:SI:UNG:REP:JJEJUMT5 |
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| Publication date in RUNG: | 05.09.2019 |
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| Views: | 3492 |
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| Downloads: | 0 |
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