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In recent years, two-dimensional (2D) ferroelectric materials have garnered significant interest, distinguished by their ultrathin geometry, high stability, and switchable polarization states. Ferroelectric tunnel junctions (FTJs) constructed from 2D ferroelectric materials exhibit exceptionally high tunnel electroresistance (TER) ratios, establishing them as leading candidates for next-generation non-volatile memory and logic devices. However, advancing FTJ technology hinges on overcoming the critical challenge of precisely controlling quantum tunneling resistance. Therefore, this study proposes a strategy of interfacial work function engineering, which actively modulates the band alignment of a heterostructure via ferroelectric polarization switching to induce a reversible metal-insulator transition in the barrier layer and modulate TER. Using a van der Waals heterostructure composed of Al2Te3/In2Se3 as a model system, we demonstrate through first-principles calculations that the strategic manipulation of interfacial work functions can induce a reversible metal-insulator transition in the barrier, thereby drastically altering the tunneling conductance. Further analysis indicates that a work function mismatch between the two ferroelectric materials induces varying degrees of interfacial charge transfer, thereby triggering a metal-insulator transition in the van der Waals ferroelectric heterostructure as the external electric field is reversed. Non-equilibrium transport simulations reveal an unprecedented TER ratio of 2.69 × 105%. Our findings not only highlight Al2Te3/In2Se3 as a promising platform for high-performance FTJs but also establish a universal design strategy for engineering ultrahigh TER effects in low-dimensional ferroelectric memory devices. This work opens new avenues for developing energy-efficient, non-volatile memory with enhanced scalability and switching characteristics.
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Keywords:
- two-dimensional ferroelectric heterostructure /
- band modulation /
- polarization /
- first-principles calculations
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