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Janus诱导的原子重构增强了莫尔双层中层间热输运的扭转角调制

Janus-induced atomic reconstruction amplifies twist-angle modulation of interlayer thermal transport in moiré bilayers

Bin Xu, Rulei Guo, Jie Sun, Hiroo Suzuki, Takuma Yoshida, Ichiro Nakaya, Koki Sawasaki, Yasuhiko Hayashi, Shohei Chiashi, Tomoki Machida, Junichiro Shiomi

arXiv 2607.23103首次发表:更新:

AI 中文总结

研究在二维莫尔双层中,通过引入Janus诱导的镜像对称破缺改变层间热导率扭转角依赖性,利用MoSSe/MoS₂双层的特性促进原子重构,削弱层间耦合抑制声子传输,展现其对层间热输运的影响及在声子工程中的作用。

AI 中文摘要

在二维莫尔双层中,原子重构是在近共格状态下朝着能量最小化堆叠配置的自发结构弛豫,可强烈改变局部堆叠和层间耦合,为显著控制声子介导的特性提供了可能。本文表明,通过在双层MoS₂中引入Janus诱导的镜像对称破缺,可以改变层间热导率的扭转角依赖性。MoSSe/MoS₂双层中的固有面外偶极子导致无摩擦界面,并降低晶格变形能,从而促进原子重构为局部扭曲的非周期性莫尔图案。这些特性削弱了层间耦合并抑制了声子跨界面传输,导致热导率出现异常强烈的扭转角依赖性,在小扭转角处有明显最小值,降低率比扭曲双层MoS₂大近一个数量级。我们的结果表明,原子重构会改变层间热输运,突出了Janus诱导的镜像对称破缺是促进二维莫尔结构中声子工程的有效方法。

英文摘要

In two-dimensional moiré bilayers, atomic reconstruction, the spontaneous structural relaxation toward energy-minimizing stacking registries in the near-commensurate regime, can strongly modify local stacking and interlayer coupling, providing a possibility to significantly control phonon-mediated properties. Here we show that the twist-angle dependence of interlayer thermal conductance can be modified by introducing Janus-induced mirror-symmetry breaking into bilayer MoS2. The intrinsic out-of-plane dipole in MoSSe/MoS2 bilayers leads to frictionless interface, and reduces the lattice deformation energy, thereby promoting atomic-reconstruction into locally distorted aperiodic moiré patterns. These features weaken interlayer coupling and suppress phonon transmission across the interface, leading to an anomalously strong twist-angle dependence of thermal conductance, with a pronounced minimum at small twist angles and a reduction rate nearly one order of magnitude larger than that of twisted bilayer MoS2. Our results demonstrate that interlayer thermal transport is modified by atomic reconstruction, highlighting Janus-induced mirror-symmetry breaking as an effective way to promoting phonon engineering in two-dimensional moiré structures.

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