Two-dimensional ferromagnetic-ferroelectric multiferroics in violation of the d(0 )rule

Article

关键词: TOTAL-ENERGY CALCULATIONS;    DISCOVERY;    SYMMETRY;    PHYSICS;    ORIGIN;   

DOI  :  10.1103/PhysRevB.99.195434

来源: SCIE

【 摘 要 】

Contribution of a d electron to ferroelectricity of type-II multiferroics causes strong magnetoelectric coupling and distinguishes them from the conventional type-I multiferroics. However, their therein polarization is too small because the ferroelectricity is merely a derivative from the magnetic order. Here we report a class of multiferroic materials, monolayer VOX2 (X = Cl, Br, and I), which combine the advantages of type-I and type-II multiferroics. Both ferroelectricity and magnetism arise from the same V cation, where the filled d orbital is perpendicular to an a priori ferroelectric polarization and thus poses no hindrance to ferroelectricity, indicating a violation of the usual d(0) rule. This makes the combination of large polarizations and strong magnetoelectric coupling possible. Our findings not only add new ferromagnetic-ferroelectric multiferroics, but also point to a unique mechanism to engineer multiferroics.

【 授权许可】

Free