Crystal chemistry search of multiferroics with the stereochemically active lone pair

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.

arXiv comment4 pages, 8 figures,submitted to J Supercond Nov Magn

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• Hybrid functional study of proper and improper multiferroics
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• Magnetoelectric ordering of BiFeO3 from the perspective of crystal chemistry
• New Method to Calculate the Sign and Relative Strength of Magnetic Interactions in Low-Dimensional Systems on the Basis of Structural Data