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arXiv · 1003.2449

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

Marjana Ležaić·Nicola A. Spaldin
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Abstract

Using density functional calculations we explore the properties of as-yet-unsynthesized $3d - 5d$ ordered double perovskites ($A_2BB'$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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Marjana Ležaić, Nicola A. Spaldin. 2011-01-25. High-temperature multiferroicity and strong magnetocrystalline anisotropy in 3d-5d double perovskites. https://doi.org/10.1103/physrevb.83.024410

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