Article (Scientific journals)
Noncollinear magnetism and single-ion anisotropy in multiferroic perovskites
Weingart, C.; Spaldin, N.; Bousquet, Eric
2012In Physical Review. B, Condensed Matter and Materials Physics, 86 (9)
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Abstract :
[en] The link between the crystal distortions of the perovskite structure and the magnetic exchange interaction, the single-ion anisotropy (SIA), and the Dzyaloshinsky-Moriya (DM) interaction are investigated by means of density functional calculations. Using BiFeO 3 and LaFeO 3 as model systems, we quantify the relationship between the oxygen octahedra rotations, the ferroelectricity, and the weak ferromagnetism (wFM). We recover the fact that the wFM is due to the DM interaction induced by the oxygen octahedra rotations. We find a simple relationship between the wFM, the oxygen rotation amplitude, and the ratio between the DM vector and the exchange parameter such that the wFM increases with the oxygen octahedra rotation when the SIA does not compete with the DM forces induced on the spins. Unexpectedly, we also find that in spite of the d5 electronic configuration of Fe3 +, the SIA is very large in some structures and is surprisingly strongly sensitive to the chemistry of the A-site cation of the ABO 3 perovskite. In the ground R3c state phase we show that the SIA shape induced by the ferroelectricity and the oxygen octahedra rotations are in competition such that it is possible to turn the wFM "on" and "off" through the relative size of the two types of distortion. © 2012 American Physical Society.
Disciplines :
Physics
Author, co-author :
Weingart, C.;  Department of Materials, ETH Zurich, Wolfgang-Pauli-Strasse 27, CH-8093 Zurich, Switzerland
Spaldin, N.;  Department of Materials, ETH Zurich, Wolfgang-Pauli-Strasse 27, CH-8093 Zurich, Switzerland
Bousquet, Eric  ;  Université de Liège - ULiège > Département de physique > Physique théorique des matériaux
Language :
English
Title :
Noncollinear magnetism and single-ion anisotropy in multiferroic perovskites
Publication date :
2012
Journal title :
Physical Review. B, Condensed Matter and Materials Physics
ISSN :
1098-0121
eISSN :
1550-235X
Publisher :
APS
Volume :
86
Issue :
9
Peer reviewed :
Peer Reviewed verified by ORBi
Available on ORBi :
since 12 December 2012

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