Abstract Using the Stillinger--Weber (SW) potential model, we investigate the thermal stability of pristine silicon nanowires based on classical molecular dynamics (MD) simulations. We explore the structural evolutions and the Lindemann indices of silicon nanowires at different temperatures in order to unveil atomic-level melting behaviour of silicon nanowires. The simulation results show that silicon nanowires with surface reconstructions have higher thermal stability than those without surface reconstructions, and that silicon nanowires with perpendicular dimmer rows on the two (100) surfaces have somewhat higher thermal stability than nanowires with parallel dimmer rows on the two (100) surfaces. Furthermore, the melting temperature of silicon nanowires increases as their diameter increases and reaches a saturation value close to the melting temperature of bulk silicon. The value of the Lindemann index for melting silicon nanowires is 0.037.
Received: 09 June 2008
Revised: 30 July 2008
Accepted manuscript online:
Fund: Project supported by the National
Natural Science Foundation of China (Grant No
10774127).
Cite this article:
Liu Wen-Liang(刘文亮), Zhang Kai-Wang(张凯旺), and Zhong Jian-Xin(钟建新) Thermal stability of silicon nanowires: atomistic simulation study 2009 Chin. Phys. B 18 2920
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