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    Dynamical properties of a ferroelectric GeTe monolayer and (Ge,Pb)Te lateral heterostructures

    Zhichao Yu1, Binhua Zhang1,*, and Changsong Xu1,2,†

    • 1Key Laboratory of Computational Physical Sciences (Ministry of Education), Institute of Computational Physical Sciences, State Key Laboratory of Surface Physics, and Department of Physics, Fudan University, Shanghai 200433, China
    • 2Hefei National Laboratory, Hefei 230088, China

    • *Contact author: bhzhang@fudan.edu.cn
    • †Contact author: csxu@fudan.edu.cn

    Phys. Rev. B 113, 104101 – Published 5 March, 2026

    DOI: https://doi.org/10.1103/b9gh-knq8

    Abstract

    Two-dimensional ferroelectric materials are widely used in advanced technologies and devices due to their unique physical properties. One of the device design strategies is the lateral heterostructures (LHS) which are easy to synthesize and precisely control. To tackle the challenge of large-scale LHS simulations, the Machine Learning Interatomic Potential (MLIP) can be utilized. Here we train the potential model specifically for monolayer GeTe and (Ge,Pb)Te LHS, which can respond to external electric fields. We investigate the thermal hysteresis and the dynamic properties including domain evolution during the ferroelectric phase transition of GeTe. According to the hysteresis loop under different temperatures and electric field frequencies, GeTe shows stable ferroelectric performance and tunability by electric fields. Additionally, we simulate and regulate multiple phases of the (Ge,Pb)Te LHS. With corrections for dipole interactions, the results show the relationship among the different states. Our research demonstrates that GeTe possesses good ferroelectric properties and highlights the application value of MLIP in the design and study of ferroelectric materials.

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