Possibility of regulating valley-contrasting physics and topological properties by ferroelectricity in functionalized arsenene

Abstract

A two-dimensional (2D) multifunctional material, which couples multiple physical properties together, is both fundamentally intriguing and practically appealing. Here, based on first-principles calculations and tight-binding (TB) model analysis, the possibility of regulating the valley-contrasting physics and nontrivial topological properties via ferroelectricity is investigated in monolayer AsCH₂OH. Reversible electric polarization is accessible via the rotation operation on the ligand. The broken inversion symmetry and the spin–orbit coupling (SOC) would lead to valley spin splitting, spin–valley coupling and valley-contrasting Berry curvature. More importantly, the reversal of electric polarization can realize the nonvolatile control of valley-dependent properties. Besides, the nontrivial topological state is confirmed in the monolayer AsCH₂OH, which is robust against the rotation operation on the ligand. The magnitude of polarization, valley spin splitting and bulk band gap can be effectively modulated by the biaxial strain. The H-terminated SiC is demonstrated to be an appropriate candidate for encapsulating monolayer AsCH₂OH, without affecting its exotic properties. These findings provide insights into the fundamental physics for the coupling of the valley-contrasting phenomenon, topological properties and ferroelectricity, and open avenues for exploiting innovative device applications.