X-ray absorption spectra of SiF4and Si(CH3)4in the SiK-shell excitation region

Takahashi, Osamu; Suzuki, Isao; Kono, Y.; Ikeda, Akihiro; Ouchi, T.; Ueda, Kiyoshi; Higuchi, I.; Tamenori, Y.; Nagaoka, Shin‐ichi

doi:10.1088/1742-6596/235/1/012018

Cited by 7 publications

(8 citation statements)

References 28 publications

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“…Recent studies using the density-functional theory (DFT) well reproduced the experimental excitation spectra for several molecules [3]. The Si 1s excitation spectrum of SiF 4 has been calculated within the framework of DFT, which indicated agreement with that observed recently [4].…”

Section: Introductionsupporting

confidence: 75%

“…This island is connected with the lowest-energy peak in the TIY spectrum, which is assigned to the transition to the 6a 1 orbital, originating from deformed structures by vibrational motion [4]. The highest-intensity island, V 2 , is seen around the photon energy of 1848.5 eV and the electron energy of 1605.1 eV.…”

Section: Resultsmentioning

confidence: 82%

“…They proposed assignments to those peaks, which agreed with those calculated by the ab initio configuration-interaction technique. However, their calculated relative intensities did not agree with measured intensities for SiF 4 . Recent studies using the density-functional theory (DFT) well reproduced the experimental excitation spectra for several molecules [3].…”

Section: Introductionmentioning

confidence: 77%

“…Those spectra showed relatively simple characteristics in the KLL decays owing to a near-atomic process of Auger decays between inner shells and then they clearly analyzed chemical shifts among many molecules on the basis of calculated results using relatively simple theories. The Si 1s photoelectron spectrum of SiF 4 exhibits a simple peak structure by limited movement of the Si atom, which essentially shows no vibrational excitation [4]. These results suggest that monochromatic photoexcitation of Si-containing molecules yields a simple spectrum for resonant Auger transitions from Si K-shell excited states.…”

Section: Introductionmentioning

confidence: 84%

“…The photoexcitation spectra are shown at the right end of the figure, where the solid curve represents a measured TIY spectrum, the broken one indicates a calculated photoexcitation, and the ionization energy of the Si 1s electron is shown with a hatched bar. The TIY clearly shows two resonance peaks at 1848.5 and 1849.9 eV and a tiny peak at 1846.1 eV [4]. These peaks have been ascribed to excitation of the Si 1s electron into the 6t 2 valence molecular orbital, 7t 2 valence orbital coupled with 4p Rydberg orbital, and 6a 1 orbital, respectively.…”

Section: Methodsmentioning

confidence: 95%

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Projection of excited orbitals into kinetic energies of emitted electrons in resonant SiKLLAuger decays of SiF4

et al. 2010

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Spectator resonant Auger-electron spectra have been measured in the Si 1s photoexcitation region of SiF 4 using an electron spectroscopic technique combined with undulator radiation. A transition with the highest intensity in the total ion yield spectrum, which comes from excitation of a 1s electron into the 6t 2 valence orbital, generates resonant Auger decays in which the excited electron remains predominantly in the valence orbital or is partly shaken up into a high-lying Rydberg orbital. The higher-lying peak generated through excitation into Rydberg orbitals induces resonant Auger decays in which the excited Rydberg electron is partly shaken up to a higher-lying Rydberg orbital or shaken down to a lower-lying valence molecular orbital. These findings exhibit a clear disentanglement effect among excited orbitals which are smeared out in the 1s electron excitation spectrum.

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Section: Introductionsupporting

confidence: 75%

Section: Resultsmentioning

confidence: 82%

Section: Introductionmentioning

confidence: 77%

Section: Introductionmentioning

confidence: 84%

Section: Methodsmentioning

confidence: 95%

See 3 more Smart Citations

Projection of excited orbitals into kinetic energies of emitted electrons in resonant SiKLLAuger decays of SiF4

et al. 2010

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Projection of Si 1s photoexcited orbitals into resonant Auger electron spectra in KLL decays of Si(CH3)4 and SiF4

Suzuki

Kono

Ikeda

et al. 2011

The Journal of Chemical Physics

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Spectator resonant KL(23)L(23) Auger electron spectra have been measured in the Si 1s photoexcitation region of Si(CH(3))(4) using monochromatized undulator radiation combined with a hemispherical electron spectrometer. The broad peak with high intensity in a total ion yield spectrum, coming mainly from excitation of a 1s electron into the 6t(2) vacant orbital, induces a spectator Auger decay in which the excited electron remains in its excited orbital. The component on the higher energy side of this peak through 1s excitation into a Rydberg orbital produces resonant Auger decays in which the excited Rydberg electron moves into a slightly higher Rydberg orbital, or is partly shaken up to a significantly higher Rydberg orbital. These findings of Si(CH(3))(4) indicate a clear contrast to those for SiF(4), in which the 1s excitation into a Rydberg orbital induces a shake-down phenomenon as well as a shake-up one. The results of these molecules exhibit a clear splitting effect among excited orbitals which are smeared out by overlapping due to lifetime widths and due to densely populated levels in the 1s electron excitation spectrum. This is consistent with the calculation on photoexcitation within the framework of density functional theory.

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Cascade Auger decays following Si KL23L23 Auger transitions in SiF4

Suzuki

Kono

Ikeda

et al. 2013

The Journal of Chemical Physics

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Cascade Si LVV Auger decays following KL(23)L(23) Auger transitions have been measured in SiF(4) molecule using an electron spectrometer combined with monochromatized undulator radiation. Molecular cascade processes from the two 2p holes states largely generate wide band structures in the spectra due to sequential electron emission leading to multiple valence holes. However, a peak with high yield is observed for the first time at about 103 eV, an energy being considerably higher than the energies of the normal LVV Auger electron, in the instance of the resonant excitation of Si 1s electron into the vacant molecular orbital. This peak is presumed to originate from the participator decay from the state with two 2p holes and one excited electron into the state with one 2p hole and one valence hole. A similar peak with less intensity is detected in the photoexcitation of the 1s electron into a Rydberg orbital. After the normal KL(23)L(23) Auger transition, the resultant cascade spectrum shows several peaks, e.g., 61 eV, 76 eV, and 82 eV. The former two peaks are assigned to the Auger transitions of Si atoms produced through molecular ion dissociation after cascade decays, and the latter is probably ascribed to the second step Auger decay into states having a 2p hole together with two valence holes.

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X-ray absorption spectra of SiF₄and Si(CH₃)₄in the SiK-shell excitation region

Cited by 7 publications

References 28 publications

Projection of excited orbitals into kinetic energies of emitted electrons in resonant SiKLLAuger decays of SiF4

Projection of excited orbitals into kinetic energies of emitted electrons in resonant SiKLLAuger decays of SiF4

Projection of Si 1s photoexcited orbitals into resonant Auger electron spectra in KLL decays of Si(CH3)4 and SiF4

Cascade Auger decays following Si KL23L23 Auger transitions in SiF4

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