English

Two-dimensional ferroelectric crystal with temperature-invariant ultralow thermal conductivity

Materials Science 2025-01-24 v2

Abstract

We report the discovery of temperature-invariant ultralow thermal conductivity (κ\kappa) in monolayer β\beta'-In2_2Se3_3, a two-dimensional ferroelectric crystal with in-plane polarization. Using a combination of generalized Wigner transport equation theory and machine-learning-assisted molecular dynamics simulations, we reveal that the balance between particle-like phonon propagating and wave-like tunneling transport mechanisms results in a propagating-tunneling-invariant (PTI) ultralow thermal conductivity of approximately 0.6 W/mK (comparable to that of glass) over a broad temperature range (150<T<800150<T<800~K). This behavior stems from intrinsic strong lattice anharmonicity driven by ferroelectric dipolar fluctuations, eliminating the need for extrinsic structural modifications. In contrast, the α\alpha-In2_2Se3_3~monolayer, which shares the same stoichiometry, exhibits a conventional temperature-dependent thermal conductivity, κ(T)T1\kappa (T) \propto T^{-1}, typical of simple crystals. Furthermore, we demonstrate that the anharmonicity in β\beta'-In2_2Se3_3~can be precisely modulated by an external electric field, enabling on-demand control of thermal transport properties, including modifying the temperature scaling behavior of heat conductivity and achieving a large thermal switching ratio of \approx2.5. These findings provide fundamental insights into the interplay between field-tunable lattice anharmonicity, phonon dynamics, and thermal transport mechanisms.

Keywords

Cite

@article{arxiv.2501.09990,
  title  = {Two-dimensional ferroelectric crystal with temperature-invariant ultralow thermal conductivity},
  author = {Wenjie Zhou and Shi Liu},
  journal= {arXiv preprint arXiv:2501.09990},
  year   = {2025}
}