Abstract Semiconductor devices made of silicon material have been widely used due to its excellent thermoelectrical properties. Here, the silicon material with aligned distributed rectangular-shaped holes is proposed for the manufacture of semiconductor device. Comprehensive understanding the heat conduction is of great significance to improve the efficiency of the thermoelectrical materials. This letter investigates the thermal conductivity of nanoscale porous silicon structures by adopting the nonequilibrium molecular dynamics method. The results demonstrate that the temperature is sensitive to the sizes of the rectangular-shaped holes. Additionally, it is found that the effective thermal conductivity significantly decreases with the increase of the dimensions of the holes. Our work reveals that the key to reduce the effective thermal conductivity is to disturb the distribution of heat flux. Furthermore, the phonon spectral energy density method is used to obtain the phonon dispersion and phonon energy in the frequency domain.

中文翻译：

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多孔硅中热传导的孔径依赖性和声子谱能量密度分析

摘要 硅材料制成的半导体器件由于其优良的热电性能而得到广泛应用。在这里，具有对齐分布的矩形孔的硅材料被提出用于制造半导体器件。全面了解热传导对于提高热电材料的效率具有重要意义。这封信采用非平衡分子动力学方法研究了纳米级多孔硅结构的热导率。结果表明，温度对矩形孔的尺寸很敏感。此外，发现有效热导率随着孔尺寸的增加而显着降低。我们的工作表明，降低有效热导率的关键是扰乱热通量的分布。此外，声子谱能量密度方法用于获得频域中的声子色散和声子能量。