Structural transition layer at SiO2/Si interfaces

K. Hirose, H. Nohira, T. Koike, K. Sakano, T. Hattori

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    60 Citations (Scopus)


    The valence-band and the O 2s core-level spectra of ultrathin (about 1 nm) SiO2 layers [which are formed at the initial stages of oxidation of hydrogen-terminated Si(100) substrates] were measured by high-resolution x-ray photoelectron spectroscopy. The energy difference between the valence band and the core level was found to be greater than that for the bulk SiO2. A first-principle molecular-orbital calculation was performed on Si2O7H6 clusters in order to obtain the energy difference (which depends on the structure of SiO2 layers). A comparison of the experimental data and the molecular-orbital calculations indicates that the intertetrahedral bond angle, θSi-O-Si, is 135° to 140° in the SiO2 structural transition layers at the SiO2/Si interfaces.

    Original languageEnglish
    Pages (from-to)5617-5621
    Number of pages5
    JournalPhysical Review B - Condensed Matter and Materials Physics
    Issue number8
    Publication statusPublished - 1999

    ASJC Scopus subject areas

    • Condensed Matter Physics


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