Crystal chemistry search of multiferroics with the stereochemically active lone pair

TL;DR

This paper develops crystal chemistry criteria based on previous magnetoelectric studies to identify potential multiferroic materials containing ions with lone pairs, expanding the search for new multiferroics.

Contribution

It introduces specific crystal chemistry criteria for discovering multiferroics with stereochemically active lone pairs, based on prior magnetoelectric research.

Findings

Identified potential multiferroics: Pb2Cu(OH)4Cl2, Pb5Cr3F19, Mn(SeO3){B7}H2O, BiPbSr2MnO6.

Formulated criteria linking lone pair ions to multiferroic properties.

Extended the search for multiferroics beyond known compounds.

Abstract

On the basis of our previous studies of magnetoelectric ordering of BiFeO3, TbMnO3, TbMn2O5 and BiMn2O5 we formulate the crystal chemistry criteria for the search of multiferroics and reveal potential multiferroics Pb2Cu(OH)4Cl2, Pb5Cr3F19, Mn(SeO3){\dot}H2O and BiPbSr2MnO6 each containing the ion with a lone pair.