Semiconductor-to-metal transition in 2D ferroelectric In2Se3/Te heterobilayers: applications for non‐volatile memory devices

Abstract Realizing the flexible control of 2D semiconductor–metal transition is a crucial challenge in non‐volatile memory devices. In this study, based on first-principles calculations and the nonequilibrium Green function formalism, we systematically investigated the stability, electronic structures, and transport properties of 2D ferroelectric In 2 Se 3 /Te heterobilayers. Our simulations indicate that the excellent thermal and dynamic stability of these heterobilayers. Moreover, the semiconductor to metal transition in In 2 Se 3 /Te can be flexibly controlled by modulating the ferroelectric polarization, enabling nonvolatile electrical manipulation of the transition in In 2 Se 3 /Te heterobilayers. Finally, the current–voltage curves of In 2 Se 3 /Te-based ferroelectric tunnel junction are examined by using the quantum transport simulations. Specifically, the In 2 Se 3 /Te-based junction exhibit an ultrahigh current on/off ratio of up to 3.89 × 10 11 . This work provides the feasibility for the design of non‐volatile memory devices through ferroelectric polarization switching.