High-temperature multiferroicity and strong magnetocrystalline anisotropy in 3d-5d double perovskites

Abstract

Using density functional calculations we explore the properties of as-yet-unsynthesized $3d-5d$ ordered double perovskites ($A_{2}B{B}^{\prime }$O${}_6$) with highly polarizable Bi${}^{3+}$ ions on the $A$ site. We find that the Bi${}_2$NiReO${}_6$ and Bi${}_2$MnReO${}_6$ compounds are insulating and exhibit a robust net magnetization that persists above room temperature. When the in-plane lattice vectors of the pseudocubic unit cell are constrained to be orthogonal (for example, by coherent heteroepitaxy), the ground states are ferroelectric with large polarization and a very large uniaxial magnetocrystalline anisotropy with easy axis along the ferroelectric polarization direction. Our results suggest a route to multiferroism and electrically controlled magnetization orientation at room temperature.

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Cited by in corpus (16)

• Multiferroic materials and magnetoelectric physics: symmetry, entanglement, excitation, and topology
• Predicting a Ferrimagnetic Phase of Zn2FeOsO6 with Strong Magnetoelectric Coupling
• Magnetism and spin-orbit coupling in Ir-based double perovskites La${}_{(}2-x$Sr${}_x$CoIrO${}_6$
• Orbital ordering induced ferroelectricity in SrCrO3
• Exploring the structural , electronic and magnetic properties of cation ordered 3d-5d double perovskite Bi${}_2$FeReO${}_6$ and Bi${}_2$FeIrO${}_6$ thin-films from first-principles
• Magnetodielectric coupling in a Ru-based 6H-perovskite, Ba3NdRu2O9
• Enhancement of magnetodielectric coupling in 6H-perovskites Ba3RRu2O9 for heavier rare earth cations (R=Ho,Tb)
• Large Magnetocaloric effect and magnetic phase transitions in Nd${}_2$NiMnO${}_6$
• Nature of the Magnetic Interactions in Sr${}_3$NiIrO${}_6$
• Giant ferroelectric polarization and electric reversal of strong spontaneous magnetization in multiferroic Bi2FeMoO6
• Multiferroic behavior of Aurivillius Bi4Mn3O12 from first-principles
• Manipulation of spin orientation via ferroelectric switching in Fe-doped Bi2WO6 from first principles
• Origin of spin-driven ferroelectricity and effect of external pressure on the complex magnetism of 6H-perovskite Ba3HoRu2O9
• Design and theory of switchable linear magnetoelectricity by ferroelectricity in Type-I multiferroics
• High temperature ideal Weyl semimetal phase and Chern insulator phase in ferromagnetic BaEuNiOsO6 and its (111) (BaEuNiOsO6)/(BaTiO3)10 superlattice
• Observation of sharp metamagnetic transition, Griffiths like phase and glassy nature in double perovskite Eu2CoMnO6