A molecular-dynamics (MD) simulation technique was developed for the natural cooling process of laser-annealed Si, and the heat flow and structural properties of l- and a-Si were investigated. The kinetic energy distribution of atoms was estimated by using the Maxwell-Boltzmann distribution function. The heat flow of molten Si showed a strong dependence of the local region during the natural cooling process, and a rapid cooling rate of 1.0 ∼ 1.5 × 1013 K/sec was obtained from the change of the temperature profile of a MD cell with a size of 48.9 × 48.9 × 97.8 Å3. The origin of the atomic structural defect and the change of bond angle distribution were estimated on the basis of a three-membered ring. The peak at around 60° and the tail of bond angle distribution corresponded to the internal angle among the atoms composing the three-membered ring and their neighbor atoms.
|Number of pages
|Journal of the Korean Physical Society
|Published - Dec 2006
All Science Journal Classification (ASJC) codes
- General Physics and Astronomy