The exotic effects arising from the interplay between ferroic states in two-dimension (2D) materials are drawing increasing interests. Using first-principles calculations, we demonstrate the coexistence of three ferroic scenarios: ferroelectric...

From first-principles calculations, a ferroelectric material Sc2P2Se6 monolayer and a multiferroic material ScCrP2Se6 monolayer with tunable ferroelectricity and magnetism are predicted.

Valleytronic devices in which both the encoding and processing of information are achieved by manipulating electronic valley degrees of freedom are drawing increasing interest. However, materials with sizable intrinsic valley polarization are currently very rare. Using first‐principles calculations, a promising 2D multiferroic CuCrP2Te6 monolayer with intrinsic valley and spin polarization is proposed. The valley splitting at the corners of the Brillouin zone (K and K′) with opposite Berry curvatures can be as large as 110.4 meV, which is quite promising for achieving an anomalous valley Hall effect. Moreover, such valley splitting can be tuned through different approaches, such as modulating the spin polarization and electric polarization and external strain. The interplay between valley and multiferroic properties reveled herein offers a unique strategy for the valleytronic device applications.

Strong structural asymmetry is actively explored in two-dimensional (2D) materials, because it can give rise to many interesting physical properties. Motivated by the recent synthesis of monolayer $\mathrm{Si_2Te_2}$, we explore...

The modulation of valley splitting is not only of fundamental interest but also crucial to valleytronics. Generally, valley splitting stems from spin-orbit coupling and the absence of time-reversal symmetry which...