Non-volatile control of topological phase transition in an asymmetric ferroelectric InTeS monolayer.

The coupling of topological electronic states and ferroelectricity is highly desired due to their abundant physical phenomenon and potential applications in multifunctional devices. However, it is difficult to achieve such a phenomenon in a single ferroelectric (FE) monolayer because the two polarized states are topologically equivalent. Here, we demonstrate that the symmetry of polarized states can be broken by constructing a Janus structure in a FE monolayer.

Intrinsic ferromagnetism and the quantum anomalous Hall effect in two-dimensional MnOCl monolayers.

Due to their potential application in spintronic devices, two-dimensional (2D) ferromagnetic materials are highly desired. We used first-principles calculations and Monte Carlo simulations to investigate the electronic structure and magnetic characteristics of the MnOCl monolayers. We discovered two stable monolayer structures, -MnOCl and -MnOCl.

Coexistence of intrinsic room-temperature ferromagnetism and piezoelectricity in monolayer BiCrX (X = S, Se, and Te).

Two-dimensional (2D) materials with intrinsic ferromagnetism and piezoelectricity have received growing attention due to their potential applications in nanoscale spintronic devices. However, their applications are highly limited by the low Curie temperatures () and small piezoelectric coefficients. Here, using first-principles calculations, we have successfully predicted that BiCrX (X = S, Se, and Te) monolayers simultaneously possess ferromagnetism and piezoelectricity by replacing one layer of Bi atoms with Cr atoms in BiX monolayers.

Intrinsic ferromagnetic semiconductors in rhombohedral RMnO (R = Sc, Y, and Lu) with high critical temperature and large ferroelectric polarization.

Ferromagnetic (FM) semiconductors have been recognized as the cornerstone for next-generation highly functional spintronic devices. However, the development in practical applications of FM semiconductors is limited by their low Curie temperatures (T ). Here, on the basis of model analysis, we find that the FM super-exchange couplings in the d - d system can be significantly strengthened by reducing the virtual exchange gap (G ) between occupied and empty e orbitals.

First-principles study of the electric, magnetic, and orbital structure in perovskite ScMnO.

Perovskite ScMnO has been synthesized under high temperature and high pressure. The magnetic ordering of this compound was proposed to be in the E-AFM state in previous theoretical research. Such magnetic ordering would lead the Mn ions to be off-centered in the MnO octahedra; however, this is not detected experimentally.