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

Takanobu Watanabe*, Iwao Ohdomari

*この研究の対応する著者

研究成果: Article査読

37 被引用数 (Scopus)

抄録

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.

本文言語English
ページ(範囲)370-373
ページ数4
ジャーナルThin Solid Films
343-344
1-2
DOI
出版ステータスPublished - 1999

ASJC Scopus subject areas

  • 電子材料、光学材料、および磁性材料
  • 表面および界面
  • 表面、皮膜および薄膜
  • 金属および合金
  • 材料化学

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