Thermal stability of silicon nanowires: atomistic simulation study |
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Authors: | Liu Wen-Liang Zhang Kai-Wang and Zhong Jian-Xin |
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Affiliation: | Department of Physics, Xiangtan University, Xiangtan 411105, China |
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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. |
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Keywords: | molecular dynamics silicon
nanowires thermal stability melting points |
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