Molecular dynamics analysis of point defects in silicon near solid–liquid interface

✍ Scribed by K Kakimoto; T Umehara; H Ozoe

• Publisher: Elsevier Science
• Year: 2000
• Tongue: English
• Weight: 213 KB
• Volume: 159-160
• Category: Article
• ISSN: 0169-4332
• DOI: 10.1016/s0169-4332(00)00121-5

✦ Synopsis

Molecular dynamics simulation was carried out to clarify pressure effects on diffusion constants of point defects such as a vacancy and an interstitial atom under constant pressure by using Stillinger-Weber potential. The calculated results indicate that the pressure effect on diffusion of the point defects is small during single crystal growth of silicon, since stress, which was obtained by a global heat and mass transfer model is not enough to modify migration process of the point defects. Activation energy of a vacancy and an interstitial atom was obtained as a function of external pressure.