Modulating the thermal conductivity of silicon nanowires via surface amorphization
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- 作者：XiangJun Liu (1)
Gang Zhang (1)
QingXiang Pei (1)
YongWei Zhang (1) - 关键词：thermal conductivity ; thermoelectric ; molecular dynamics ; silicon nanowire
- 刊名：SCIENCE CHINA Technological Sciences
- 出版年：2014
- 出版时间：April 2014
- 年：2014
- 卷：57
- 期：4
- 页码：699-705
- 全文大小：752 KB
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Gang Zhang (1)
QingXiang Pei (1)
YongWei Zhang (1)
1. Institute of High Performance Computing, A*Star, Singapore, 138632, Singapore - ISSN：1869-1900
文摘
We perform non-equilibrium molecular dynamics calculations to study the heat transport in crystalline-core amorphous-shell silicon nanowires (SiNWs). It is found that the thermal conductivity of the core-shell SiNWs is closely related to the cross-sectional area ratio of amorphous shell. Through shell amorphization, an 80% reduction in thermal conductivity compared to crystalline SiNWs with the same size can be achieved, due to the non-propagating heat diffusion in the amorphous region. In contrast to the strong temperature-dependent thermal conductivity of crystalline SiNWs, the core-shell SiNWs only show weak temperature dependence. In addition, an empirical relation is proposed to accurately predict the thermal conductivity of the core-shell SiNWs based on the rule of mixture. The present work demonstrates that SiNWs with an amorphized shell are promising candidates for thermoelectric applications.