Transport Mechanism of Point Defects in Silicon Crystals estimated by Molecular Dynamics

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  • 等圧下におけるシリコン中の点欠陥の輸送現象
  • トウアツカ ニ オケル シリコン チュウ ノ テン ケッカン ノ ユソウ ゲンショウ

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Abstract

Molecular dynamics simulation of vacancy and self-interstitial atoms in silicon crystals was carried out to investigate diffusion mechanism and coefficients of vacancy and self-interstitial atoms. Pressure dependence of diffusion coefficients of the point defects is not significant, although temperature dependence is remarkably large. Large deformation of lattice was observed in an interstitial case, while small lattice distortion was obtained in a vacancy case.

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