Abstract

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.

Abstract

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.

Abstract

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.

Abstract

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.