Proceedings of the Korean Vacuum Society Conference (한국진공학회:학술대회논문집)
- 2011.02a
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- Pages.325-325
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- 2011
Reactive molecular dynamics study of very initial dry oxidation of Si(001)
- Pamungkas, Mauludi Ariesto (Computational Science Center, Korea Institute of Science and Technology) ;
- Joe, Minwoong (Computational Science Center, Korea Institute of Science and Technology) ;
- Kim, Byung-Hyun (Computational Science Center, Korea Institute of Science and Technology) ;
- Kim, Gyu-Bong (Computational Science Center, Korea Institute of Science and Technology) ;
- Lee, Kwang-Ryeol (Computational Science Center, Korea Institute of Science and Technology)
- Published : 2011.02.09
Abstract
Very initial stage of oxidation process of Si (001) surface at room temperature (300 K) and high temperature (1200 K) was investigated using large scale molecular dynamics simulation. Reactive force field potential [1] was used for the simulation owing to its ability to handle charge variation as well as breaking and forming of bonds associated with the oxidation reaction. The results show that oxygen molecules adsorb dissociatively or otherwise leave the silicon surface. Initial position and orientation of oxygen molecule above the surface play important role in determining final state and time needed to dissociate. At 300 K, continuous transformation of ion