Ferroelectric enhancement and high-density array design in arsenene/ heterostructures via interface engineering
Phys. Rev. B 112, 155405 – Published 8 October, 2025
DOI: https://doi.org/10.1103/b7qd-2xqx
Abstract
Interlayer stacking in two-dimensional van der Waals heterostructures offers a powerful means to tune crystal symmetry and charge distribution. In this work, we designed a low-mismatch heterostructure consisting of arsenene and (CIPS), in which interface-induced effects stabilize a high-polarization (HP) phase. First-principles calculations demonstrate that orbital symmetry matching between Cu and As atoms promotes the spontaneous formation of Cu-As bonds, which enhances Cu displacement and interlayer charge redistribution, thereby strengthening the out-of-plane polarization. Building on this mechanism, we proposed a trilayer chiral moiré superlattice of arsenene/CIPS/arsenene as a ferroelectric memory array, featuring two discrete polarization domains with a maximum polarization of 7.00 pC/m and an estimated storage density of . Arsenene coupling, particularly via Cu-As bonds, further increases the ferroelectric switching barrier and Curie temperature. These findings present a pressure-free strategy for stabilizing the HP phase of CIPS at room temperature and provide a promising platform for high-speed, high-density, nonvolatile ferroelectric memory applications.