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Influence of defects on thermal properties of stanene

机译：缺陷对苯锡热性质的影响

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Stanene is a two-dimensional, graphene-like honeycomb structure material, has been synthesized in a recent experimental study. Theoretically, it is expected to have a super conductive property near room temperature due to its spin orbital coupling effect. It is a potential material for the next generation nano-electronics application. Therefore, studying its thermal property is of particular interest. In this paper, we investigated the effect of different types of defects on the thermal conductivity of stanene nanosheets. Molecular Dynamics simulations are performed to calculate the thermal conductivity as a function of various types of defects. MEAM potential is used to describe the inter-atomic forces. It has been found that the presence of defects reduces the thermal conductivity significantly. Finally, vibrational density of states (DOS) are calculated to elucidate the underlying mechanisms of the reduction of thermal conductivity.
机译：斯坦宁是一种二维的石墨烯样蜂窝结构材料，在最近的一个实验研究中已经合成。从理论上讲，由于其旋转轨道耦合效果，预计将在室温附近具有超级导电性。它是下一代纳米电子应用的潜在材料。因此，研究其热性质是特别令人感兴趣的。在本文中，我们研究了不同类型缺陷对斯坦纳米片的导热率的影响。进行分子动力学模拟以计算作为各种类型缺陷的函数的导热率。利用MEAM潜力来描述原子间力。已经发现缺陷的存在显着降低了导热率。最后，计算状态（DOS）的振动密度以阐明降低导热率的潜在机制。

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