Modeling of SiO2/Si(100) interface structure by using extended -Stillinger-Weber potential

Takanobu Watanabe, Iwao Ohdomari

    Research output: Contribution to journalArticle

    35 Citations (Scopus)

    Abstract

    Large scale modeling of ultrathin SiO2 films on Si(100) surfaces has been performed using our original potential, which was developed to simulate both Si and SiO2 crystal systems. A SiO2 film was formed by layer-by-layer insertion of oxygen atoms into Si-Si bonds in a Si wafer from one of the surfaces. The thickness of the obtained SiO2 layer was about 17.2 Å, and it showed the presence of the structural transition layer; the average Si-O-Si bond angle becomes smaller in the region closer to the SiO2/Si interface. The peak of Si-O-Si bond angle distribution is shifted toward a narrower angle from the equilibrium angle of 144°, in agreement with experimental results reported so far.

    Original languageEnglish
    Pages (from-to)370-373
    Number of pages4
    JournalThin Solid Films
    Volume343-344
    Issue number1-2
    Publication statusPublished - 1999

    Fingerprint

    Ultrathin films
    Oxygen
    Atoms
    Crystals
    transition layers
    insertion
    oxygen atoms
    wafers
    crystals

    Keywords

    • Computer simulation
    • Interfaces
    • Oxidation
    • Silicon
    • Silicon oxide

    ASJC Scopus subject areas

    • Surfaces, Coatings and Films
    • Condensed Matter Physics
    • Surfaces and Interfaces

    Cite this

    Modeling of SiO2/Si(100) interface structure by using extended -Stillinger-Weber potential. / Watanabe, Takanobu; Ohdomari, Iwao.

    In: Thin Solid Films, Vol. 343-344, No. 1-2, 1999, p. 370-373.

    Research output: Contribution to journalArticle

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