Janus-induced atomic reconstruction amplifies twist-angle modulation of interlayer thermal transport in moir\'e 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

Janus-induced atomic reconstruction amplifies twist-angle modulation of interlayer thermal transport in moir\'e bilayers

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

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Abstract

In two-dimensional moir\'e 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 moir\'e 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 moir\'e structures.

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Bin Xu, Rulei Guo, Jie Sun, Hiroo Suzuki, Takuma Yoshida, Ichiro Nakaya, Koki Sawasaki, Yasuhiko Hayashi, Shohei Chiashi, Tomoki Machida, Junichiro Shiomi. 2026-07-25. Janus-induced atomic reconstruction amplifies twist-angle modulation of interlayer thermal transport in moir\'e bilayers. https://arxiv.org/abs/2607.23103

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