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 language | English |
|---|---|
| Pages (from-to) | 370-373 |
| Number of pages | 4 |
| Journal | Thin Solid Films |
| Volume | 343-344 |
| Issue number | 1-2 |
| DOIs | |
| Publication status | Published - 1999 Jan 1 |
Keywords
- Computer simulation
- Interfaces
- Oxidation
- Silicon
- Silicon oxide
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Surfaces and Interfaces
- Surfaces, Coatings and Films
- Metals and Alloys
- Materials Chemistry
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Watanabe, T., & Ohdomari, I. (1999). Modeling of SiO2/Si(100) interface structure by using extended -Stillinger-Weber potential. Thin Solid Films, 343-344(1-2), 370-373. https://doi.org/10.1016/S0040-6090(98)01700-3