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 |
| Publication status | Published - 1999 |
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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 journal › Article
}
TY - JOUR
T1 - Modeling of SiO2/Si(100) interface structure by using extended -Stillinger-Weber potential
AU - Watanabe, Takanobu
AU - Ohdomari, Iwao
PY - 1999
Y1 - 1999
N2 - 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.
AB - 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.
KW - Computer simulation
KW - Interfaces
KW - Oxidation
KW - Silicon
KW - Silicon oxide
UR - http://www.scopus.com/inward/record.url?scp=0032648681&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=0032648681&partnerID=8YFLogxK
M3 - Article
AN - SCOPUS:0032648681
VL - 343-344
SP - 370
EP - 373
JO - Thin Solid Films
JF - Thin Solid Films
SN - 0040-6090
IS - 1-2
ER -