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Ultralow Thermal Conductivity of Isotope-Doped Silicon Nanowires

机译:同位素掺杂硅纳米线的超低导热系数

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摘要

The thermal conductivity of silicon nanowires (SiNWs) is investigated bymolecular dynamics (MD) simulation. It is found that the thermal conductivityof SiNWs can be reduced exponentially by isotopic defects at room temperature.The thermal conductivity reaches the minimum, which is about 27% of that ofpure 28Si NW, when doped with fifty percent isotope atoms. The thermalconductivity of isotopic-superlattice structured SiNWs depends clearly on theperiod of superlattice. At a critical period of 1.09 nm, the thermalconductivity is only 25% of the value of pure Si NW. An anomalous enhancementof thermal conductivity is observed when the superlattice period is smallerthan this critical length. The ultra-low thermal conductivity of superlatticestructured SiNWs is explained with phonon spectrum theory.
机译:通过分子动力学(MD)模拟研究了硅纳米线(SiNWs)的热导率。研究发现,室温下同位素缺陷会导致SiNWs的热导率成指数下降,当掺杂50%的同位素原子时,其热导率达到最小值,约为纯28Si NW的27%。同位素超晶格结构的SiNWs的导热系数明显取决于超晶格的周期。在1.09 nm的临界周期,导热系数仅为纯Si NW的25%。当超晶格周期小于此临界长度时,会观察到导热系数的异常增强。用声子谱理论解释了超晶格结构的SiNW的超低导热率。

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