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Journal Article

Magnetic properties of the multiferroic double perovskite lead iron niobate: Role of disorder


Hayn,  Roland
Max Planck Institute for the Physics of Complex Systems, Max Planck Society;

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Benkhaled, N., Djermouni, M., Zaoui, A., Kondakova, I., Kuzian, R., & Hayn, R. (2020). Magnetic properties of the multiferroic double perovskite lead iron niobate: Role of disorder. Journal of Magnetism and Magnetic Materials, 515: 167309. doi:10.1016/j.jmmm.2020.167309.

Cite as: http://hdl.handle.net/21.11116/0000-0007-CD6B-B
The peculiarities of the magnetism of one of the first known and most studied multiferroic compounds remain a challenge for solid-state theory. The antiferromagnetic ordering of PbFe1/2Nb1/2O3(PFN) occurs at T-N approximate to 150 K. On the one hand, this value is much larger than the T-N value for most of the other double perovskites. On the other hand, it is significantly lower than theoretical estimates. The temperature dependence of magnetic susceptibility is substantially different from that one expected for conventional antiferromagnets. In order to find the solution of these puzzles, several density functional theory calculations of the magnetic interactions in PFN are reported. The interactions between first-, second-, third- and fourth-neighbor Fe3+ ions (S = 5/2) are calculated. The magnetic response of Fe spins is shown to depend both on the interaction value and the mutual spin arrangement. The magnetic susceptibility of various spin lattices is calculated using the tenth-order high-temperature expansion method and compared with the experiment. A substantial role of disorder for the understanding of the magnetic properties is discussed.