The atomic structure of BiFeO3

Michel, Christian; Moreau, Jean-Michel; Achenbach, Gary D.; Gerson, Robert; James, William Joseph

doi:10.1016/0038-1098(69)90597-3

Cited by 625 publications

(314 citation statements)

References 5 publications

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“…1͒. 12,13 Our calculated structural parameters are identical ͑within the usual numerical accuracy͒ to those given in Ref.…”

supporting

confidence: 72%

“…1͒. 12,13 The Fe magnetic moments are coupled ferromagnetically within the pseudocubic ͑111͒ planes and antiferromagnetically between adjacent planes ͑so-called G-type antiferromagnetic order͒. If the magnetic moments are oriented perpendicular to the ͓111͔ direction, the symmetry also permits a canting of the antiferromagnetic sublattices resulting in a macroscopic magnetization, so-called weak ferromagnetism.…”

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confidence: 99%

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Weak ferromagnetism and magnetoelectric coupling in bismuth ferrite

2005

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We analyze the coupling between the ferroelectric and magnetic order parameters in the magnetoelectric multiferroic BiFeO 3 using density functional theory within the local spin density approximation ͑LSDA͒ and the LSDA+ U method. We show that weak ferromagnetism of the Dzyaloshinskii-Moriya type occurs in this material, and we analyze the coupling between the resulting magnetization and the structural distortions. We explore the possibility of electric-field-induced magnetization reversal and show that, although it is unlikely to be realized in BiFeO 3 , it is not in general impossible. Finally, we outline the conditions that must be fulfilled to achieve switching of the magnetization using an electric field. There has been increasing recent interest in magnetoelectric multiferroics, 1-5 which are materials that show spontaneous magnetic and electric ordering in the same phase. In addition to the fascinating physics resulting from the independent existence of two or more ferroic order parameters in one material, 6 the coupling between magnetic and electric degrees of freedom gives rise to additional phenomena. The linear and quadratic magnetoelectric ͑ME͒ effects, in which a magnetization linear or quadratic in the applied field strength is induced by an electric field ͑or an electric polarization is induced by a magnetic field͒, are already well established. 5 Recently, more complex coupling scenarios have been investigated. Examples are the coupling of the antiferromagnetic and ferroelectric domains in hexagonal YMnO 3 , 1 or the large magnetocapacitance near the ferromagnetic Curie temperature in ferroelectric BiMnO 3 . 3 Especially interesting are scenarios where the direction of the magnetization or electric polarization can be modified by an electric or magnetic field, respectively. Such a coupling would open up entirely new possibilities in data storage technologies, such as ferroelectric memory elements that could be read out nondestructively via the accompanying magnetization. Some progress has been made in this direction. Recently, the small ͑0.08 C/cm 2 ͒ electric polarization in perovskite TbMnO 3 was rotated by 90°using a magnetic field at low temperatures ͑ϳ10-20 K͒. 4 Conversely, early work on nickel-iodine boracite 7 showed that, below ϳ60 K, reversal of the spontaneous electric polarization rotates the magnetization by 90°, indicating that the axis of the magnetization, but not its sense, can be controlled by an electric field. In fact, it was believed 8,9 that electric-field-induced 180°switching of the magnetization should be impossible, because a reversal of the magnetization corresponds to the operation of time inversion, whereas the electric field is invariant under this operation. In this work we show that such behavior is not generally impossible by using multiferroic bismuth ferrite, BiFeO 3 , as a test case to analyze the coupling between magnetism and ferroelectricity.BiFeO 3 has long been known to be, in its bulk form, an antiferromagnetic, ferroelectric multiferroic, 10,11 with anti...

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“…1͒. 12,13 Our calculated structural parameters are identical ͑within the usual numerical accuracy͒ to those given in Ref.…”

supporting

confidence: 72%

mentioning

confidence: 99%

Weak ferromagnetism and magnetoelectric coupling in bismuth ferrite

2005

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“…8 Recently, large ferroelectric polarizations, exceeding those of prototypical ferroelectrics BaTiO 3 and PbTiO 3 , have been reported in high-quality thin films of BiFeO 3 . [8][9][10] These sizable polarizations are consistent with the observed large atomic distortions, 11,12 but apparently inconsistent with earlier studies of bulk BiFeO 3 , 13 a difference whose origin is currently under debate. In addition, appreciable magnetizations ͑ϳ1 B per formula unit͒, increasing with decreasing film thickness, have been reported, 8 accompanied by substantial magnetoelectric coupling.…”

Section: Introductioncontrasting

confidence: 52%

“…Bulk BiFeO 3 has long been known to be ferroelectric 13 with a Curie temperature of about 1100 K. The structure of the ferroelectric phase, resolved experimentally using both x-ray and neutron diffraction, 11,12 can be understood as highly distorted perovskite with rhombohedral symmetry and space group R3c. The primitive unit cell, shown in Fig.…”

Section: Introductionmentioning

confidence: 99%

First-principles study of spontaneous polarization in multiferroicBiFeO3

et al. 2005

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The ground-state structural and electronic properties of ferroelectric BiFeO 3 are calculated using density functional theory within the local spin-density approximation ͑LSDA͒ and the LSDA+ U method. The crystal structure is computed to be rhombohedral with space group R3c, and the electronic structure is found to be insulating and antiferromagnetic, both in excellent agreement with available experiments. A large ferroelectric polarization of 90-100 C/cm 2 is predicted, consistent with the large atomic displacements in the ferroelectric phase and with recent experimental reports, but differing by an order of magnitude from early experiments. One possible explanation is that the latter may have suffered from large leakage currents. However, both past and contemporary measurements are shown to be consistent with the modern theory of polarization, suggesting that the range of reported polarizations may instead correspond to distinct switching paths in structural space. Modern measurements on well-characterized bulk samples are required to confirm this interpretation.

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“…It has a rhombohedral unit cell, built with two distorted perovskite cells connected along [1,2]. It is also a G-type antiferromagnet with Néel temperature of approximately 673 K [100] and a symmetry-allowed, small canted moment owing to the Dzyaloshinskii-Moriya interaction [2,3].…”

Section: Introductionmentioning

confidence: 99%

Electric field control of ferromagnetism using multi-ferroics: the bismuth ferrite story

Ramesh

2014

Phil. Trans. R. Soc. A.

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Since the re-emergence of multi-ferroics and magnetoelectrics almost a decade ago, bismuth ferrite has been among the most heavily studied model system. It is a multi-ferroic with robust ferroelectricity and antiferromagnetism, in conjunction with weak ferromagnetism arising primarily from spin–orbit coupling effects. This material system has generated a significant amount of discussion in the community, because many of the physical properties measured in thin films are different from the bulk. This paper summarizes some of the key observations in this versatile materials system, with a particular focus on thin films, heterostructures and interfacial phenomena.

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The atomic structure of BiFeO3

Cited by 625 publications

References 5 publications

Weak ferromagnetism and magnetoelectric coupling in bismuth ferrite

Weak ferromagnetism and magnetoelectric coupling in bismuth ferrite

First-principles study of spontaneous polarization in multiferroicBiFeO3

Electric field control of ferromagnetism using multi-ferroics: the bismuth ferrite story

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