An Improvement of Stillinger–Weber Interatomic Potential Model for Reactive Ion Etching Simulations
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概要
- 論文の詳細を見る
An approach to improve the interatomic potential model by Stillinger and Weber (SW), which has been frequently utilized for molecular dynamics simulations of energetic-particle-induced surface reactions, was proposed. It was found that this well-known model for Si/halogen systems had a flaw in its three-body potential form if it was applied to reactive ion etching simulations. The repulsive interaction is overestimated owing to the simple summation form $\sum_{i, j,k}h_{jik}$ when a halogen atom is surrounded by more than three atoms. This situation always occurs when a high-energy halogen penetrates a Si lattice and, in this case, the penetration energy into the lattice is overestimated. The test simulations using our model showed that the surface structures predicted were markedly different from those using the original model. This improved model has a profound effect on the prediction of surface structures.
- Published by the Japan Society of Applied Physics through the Institute of Pure and Applied Physicsの論文
- 2009-02-25
著者
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Eriguchi Koji
Department Of Aeronautics And Astronautics Graduate School Of Engineering Kyoto University
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Ono Kouichi
Department Of Aeronautical Engineering Faculty Of Engineering Kyoto University
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Ono Kouichi
Department of Aeronautics and Astronautics, Graduate School of Engineering, Kyoto University, Yoshida-Honmachi, Sakyo-ku, Kyoto 606-8501, Japan
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Ohta Hiroaki
Department of Aeronautics and Astronautics, Graduate School of Engineering, Kyoto University, Yoshida-Honmachi, Sakyo-ku, Kyoto 606-8501, Japan
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Nagaoka Tatsuya
Department of Aeronautics and Astronautics, Graduate School of Engineering, Kyoto University, Yoshida-Honmachi, Sakyo-ku, Kyoto 606-8501, Japan
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