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000014663 1001_ $$0P:(DE-Juel1)VDB37180$$aLezaic, M.$$b0$$uFZJ
000014663 245__ $$aHigh-temperature multiferroicity and strong magnetocrystalline anisotropy in 3d-5d double perovskites
000014663 260__ $$aCollege Park, Md.$$bAPS$$c2011
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000014663 500__ $$aWe thank Kris Delaney, Phivos Mavropoulos, Stefan Blugel, Frank Freimuth, and Sergey Ivanov for many valuable discussions. M. L. gratefully acknowledges the support of the Deutsche Forschungsgemeinschaft, Grant LE 2504/1-1, and the Young Investigators Group Programme of the Helmholtz Association, Contract VH-NG-409, as well as the support of the Julich Supercomputing Centre. N.S. acknowedges support from the NSF NIRT Program, Grant No. 0609377.
000014663 520__ $$aUsing density functional calculations we explore the properties of as-yet-unsynthesized 3d-5d ordered double perovskites (A(2)BB'O-6) with highly polarizable Bi3+ ions on the A site. We find that the Bi2NiReO6 and Bi2MnReO6 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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