Two-dimensional ferromagnetic-ferroelectric multiferroics in violation of the d0 rule

Abstract

Contribution of d-electron to ferroelectricity of type-II multiferroics causes strong magneto-electric 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 new 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 d0 rule. This makes the combination of large polarizations and strong magneto-electric coupling possible. Our findings not only add new ferromagnetic-ferroelectric multiferroics, but also point to a unique mechanism to engineer multiferroics.

Accepted by PRB

References in corpus (6)

• Hybrid exchange-correlation functional for accurate prediction of the electronic and structural properties of ferroelectric oxides
• Type-II multiferroic Hf${}_2$VC${}_2$F${}_2$ MXene monolayer with high transition temperature
• VO2: A Novel View from Band Theory
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Cited by in corpus (4)

• Ferroic orders in two-dimensional transition/rare-earth metal halides
• Peierls transition, ferroelectricity, and spin-singlet formation in the monolayer VOI${}_2$
• Decoupled Strain Response of Ferroic Properties in Multiferroic VOCl2 Monolayer
• Strongly anisotropic electronic and magnetic structures in oxide dichlorides RuOCl${}_2$ and OsOCl${}_2$