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Strain dependence of the thermoelectric performance of porous armchair silicene nanoribbons

机译:多孔扶手椅硅纳米带热电性能的应变依赖性

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摘要

In this article, the strain-dependent thermoelectric performance of circular porous armchair silicene nanoribbons (ASiNRs) under uniaxial tension and compression is computed by means of a semiempirical approach in combination with nonequilibrium Green's function. Our findings clearly demonstrate that the thermoelectric performance can be effectively tuned by the optimum choice of the nature and magnitude of the strain depending on the pore size. For smaller pore sizes, higher tensile strains can be preferred whereas for nanostructures with larger pores, the compression is a suitable option. Further analysis concludes that the tensile deformation fails to attain any improvement in the thermoelectric figure of merit ZT at any choice of temperature, whereas the performance under compressive deformation goes on improving with the increase in the applied temperature. In addition, changing the pore shape to a triangular one is found to significantly enhance the thermoelectric performance.
机译:在本文中,通过半经验方法结合非平衡格林函数,计算了圆形多孔扶手椅硅纳米带(ASiNRs)在单轴拉伸和压缩下的应变相关热电性能。我们的发现清楚地表明,取决于孔的大小,可以通过最佳选择应变的性质和大小来有效地调节热电性能。对于较小的孔径,较高的拉伸应变可能是优选的,而对于具有较大孔的纳米结构,压缩是合适的选择。进一步的分析得出结论,在任何温度下,拉伸变形都无法使热电性能ZT得到任何改善,而压缩变形下的性能会随着施加温度的升高而继续改善。另外,发现将孔形状改变为三角形可以显着提高热电性能。

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