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024 7 _ |a 10.1103/PhysRevB.83.024410
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037 _ _ |a PreJuSER-14663
041 _ _ |a eng
082 _ _ |a 530
084 _ _ |2 WoS
|a Physics, Condensed Matter
100 1 _ |0 P:(DE-Juel1)VDB37180
|a Lezaic, M.
|b 0
|u FZJ
245 _ _ |a High-temperature multiferroicity and strong magnetocrystalline anisotropy in 3d-5d double perovskites
260 _ _ |a College Park, Md.
|b APS
|c 2011
300 _ _ |a 024410
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440 _ 0 |0 4919
|a Physical Review B
|v 83
|x 1098-0121
|y 2
500 _ _ |3 POF3_Assignment on 2016-02-29
500 _ _ |a We 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.
520 _ _ |a Using 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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773 1 8 |a 10.1103/physrevb.83.024410
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773 _ _ |a 10.1103/PhysRevB.83.024410
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856 7 _ |u http://dx.doi.org/10.1103/PhysRevB.83.024410
856 4 _ |u https://juser.fz-juelich.de/record/14663/files/PhysRevB.83.024410.pdf
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