X-ray absorption spectra of SiF4 and Si(CH3) 4 in the Si K-shell excitation region

Osamu Takahashi, Isao H. Suzuki, Yutaro Kono, Akihiro Ikeda, Takao Ouchi, Kiyoshi Ueda, Itaru Higuchi, Yusuke Tamenori, Shin Ichi Nagaoka

Research output: Contribution to journalConference articlepeer-review

6 Citations (Scopus)

Abstract

X-ray photo-absorption (XA) spectra of SiF4 and Si(CH 3)4 have been measured in the Si K-shell transition region using monochromatized undulator radiation and theoretical calculations have been performed within the framework of density functional theory. For SiF 4 main peak structures of the XA spectrum have been reproduced well with the calculation. Further we theoretically simulated a small peak of Si:1s→6a1 excitation, by sampling distorted geometries using classical trajectory calculations at the ground state, which is a forbidden transition under the dipole selection rule. For Si(CH3)4 only one peak was observed and reproduced well with the calculation, which was ascribed to the characteristic of broad Rydberg orbitals coupled with valence orbitals.

Original languageEnglish
Article number012018
JournalJournal of Physics: Conference Series
Volume235
Issue number1
DOIs
Publication statusPublished - 2010
EventInternational Workshop on Electronic Spectroscopy for Gas-phase Molecules and Solid Surfaces, IWES2009 - Matsushima, Japan
Duration: 2009 Oct 122009 Oct 15

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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