We have performed three-dimensional molecular dynamics simulations to investigate strain and stress distributions in silicon nanostructures covered with thermal oxide films, by using our original molecular force field for Si, O mixed systems. We have modeled a wire-shaped nanostructure by carving a Si(001) substrate, and then an oxide film with a uniform thickness was formed by inserting oxygen atom into Si-Si bonds from the surface. The simulation results show that a compressive stress is concentrated on the oxide region in the vicinity of the side SiO2/Si interface of the nanowire. At the top interface, there is also a compressive stress in the  direction, whereas the  component of the normal stress tensor is almost relaxed. These results suggest that the oxidation is strongly suppressed at the side faces of the silicon nanowire.
|ジャーナル||Japanese Journal of Applied Physics, Part 1: Regular Papers and Short Notes and Review Papers|
|出版ステータス||Published - 2007 5月 17|
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