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Molecular dynamics simulations of pulsed laser crystallization of amorphous silicon ultrathin films

Chen Gu-Ran Song Chao Xu Jun Wang Dan-Qing Xu Ling Ma Zhong-Yuan Li Wei Huang Xin-Fan Chen Kun-Ji

Molecular dynamics simulations of pulsed laser crystallization of amorphous silicon ultrathin films

Chen Gu-Ran, Song Chao, Xu Jun, Wang Dan-Qing, Xu Ling, Ma Zhong-Yuan, Li Wei, Huang Xin-Fan, Chen Kun-Ji
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  • Received Date:  12 November 2009
  • Accepted Date:  07 December 2009
  • Published Online:  15 August 2010

Molecular dynamics simulations of pulsed laser crystallization of amorphous silicon ultrathin films

  • 1. National Laboratory of Solid State Microstructures, Jiangsu Provincial Key Laboratory of Photonic and Electronic MaterialsSciences and Technology, Department of Physics, Nanjing University, Nanjing 210093, China

Abstract: Laser crystallization of amorphous Si thin films is one of reliable method of preparing nanocrystalline silicon with high density and controllable size. In the present work, molecular dynamics simulation based on Tersoff potential was used to study the laser crystallization process of ultrathin amorphous silicon film (2.7 nm) on amorphous silicon nitride substrate. The influence of laser fluences on the crystallization and formation of nanocrystalline Si was investigated. It was found that there exists a laser fluence window in which nucleation and growth of nanocrystalline Si can be realized, which is in agreement with our previous experimental observations. The nucleation and growth processes in microscopic scale were simulated and the size of formed nanocrystalline Si was limited in both vertical and lateral directions by the film thickness and the formation of grain boundaries.

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