Length dependent thermal conduction in germanene/stanene heterobilayer by using molecular dynamics simulations

Shihab Ahammed, Kazi Sazzad Hossen, Ashraful Hossain Howlader
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引用次数: 1

Abstract

Of late, stanene and germanene having the effect of spin orbital coupling are characterized as a superconductive material at room temperature. These materials have been synthesized and investigated their low thermal conductivity in recent experimental studies. With the purpose of achieving diverse thermal properties, we have modeled and offered germanene/stanene heterobilayer. We have also characterized its in-plane thermal conduction with varying length. For the assessment its thermal properties, we employed a simulation method named reverse non equilibrium molecular dynamics. The nanosheet size in the x direction ranges from 20 to 300 nanometer. The amount of thermal transport of this heterobilayer is predicted to be 19.95 W m−1 K−1 over an unlimited length. In this work, the van der Waals thickness is used to predict this thermal transmission. The length of the nanosheet appears to boost the in-plane heat conduction of the germanene/stanene bilayer. For a better understanding of in-plane thermal conduction, the phonon density of states is determined. The characterization of germanene/stanene nanostructure proposed in this study would give a decent knowledge to make it a promising bilayer for the thermoelectric applications owing to its low thermal conductivity.
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基于分子动力学模拟的锗烯/斯坦烯异质层长度相关热传导
近年来,具有自旋轨道耦合效应的硅烯和锗烯在室温下被表征为超导材料。这些材料已被合成,并在最近的实验研究中研究了它们的低导热性。为了获得不同的热性能,我们模拟并提供了锗烯/stanene异质层。我们还描述了它的面内热传导随长度的变化。为了评估其热性能,我们采用了一种称为反向非平衡分子动力学的模拟方法。x方向的纳米片尺寸在20到300纳米之间。该异质层的热输运量预测为19.95 W m−1 K−1,长度不限。在这项工作中,范德华厚度被用来预测这种热传递。纳米片的长度似乎促进了锗烯/烯双分子层的平面内热传导。为了更好地理解面内热传导,确定了态声子密度。本研究提出的锗烯/stanene纳米结构的表征将使其具有良好的知识,使其成为热电应用的有前途的双层材料,因为它的低导热性。
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