Ultra-Scaled and Ultrafast Two-Dimensional Sliding Ferroelectric Memory: From High-Throughput Discovery to Atomic-Scale Kinetics

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High-density and fast-speed memory are greatly demanded for information storage and processing in the artificial intelligence era. Two-dimensional (2D) sliding-ferroelectrics (FEs) offer a transformative path for these applications, yet research has remained limited to a few materials. In this work, we report an integrated materials-to-device discovery framework for ferroelectric-semiconductor field-effect transistors (FeS-FETs) using 2D sliding-FE channels, combining high-throughput ab initio screening, machine-learning molecular dynamics (MLMD), and quantum transport simulations. From over 16,000 candidates, we identify six high-performance 2D sliding-FEs, including PtS2 and CF2Y2, with superior bandgap, stability, and ferroelectricity. Quantum transport simulations demonstrate that the CF2Y2 FeS-FET's current FE switching ratio reaches 4.5 × 105, surpassing the MoS2 benchmark by 104 times. Furthermore, MLMD reveals that bilayer PtS2 supports domain-wall velocities of 1.98 nm/ps (at 1 V/nm), which is among the highest switching speed recorded for FE memory. Our results provide a quantitative roadmap for designing next-generation, high-speed, and ultradense nonvolatile memories based on 2D sliding-ferroelectricity.

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