Ferroelectricity Induced by a Combination of Crystallographic Chirality and Axial Vector.

Ferroelectric materials compatible with magnetism and/or conductive properties provide a platform for exploring unconventional phenomena, such as the magnetoelectric effect, nonreciprocal responses, and nontrivial superconductivity. Though recent studies on multiferroics have offered several approaches, the search for magnetic and/or conducting ferroelectric materials is still a challenging issue under the traditional "d 0 -ness" rule, refusing active d electrons. Here, we propose the emergence of ferroelectricity through a combination of crystallographic chirality and axial vector, accepting even non-d 0 magnetic ions. This proposal is demonstrated in quasi-one-dimensional magnetic systems Sr M 2 V 2 O 8 ( M = Ni, Mg, and Co). The ferroelectric phase transition is observed by measurements of neutron powder diffraction and dielectric properties in all compositions. Structural analyses and first-principles calculations indicate that these magnetic compounds are identified as proper-type ferroelectrics whose ferroelectric phase transition is achieved by spiral motions of crystallographic screw chains formed by edge-shared M O 6 octahedra, considered as the combination of locally defined chirality and axial vector. Computationally predicted magnitude of spontaneous polarization of Sr M 2 V 2 O 8 reaches ∼10 0 μC/cm 2 , comparable to that of conventional ferroelectrics, despite the incorporation of non-d 0 magnetic elements. The mechanism proposed in this study offers a unique approach to the exploration of new ferroelectrics beyond the traditional paradigms.