BiScO<sub>3</sub>: Centrosymmetric BiMnO<sub>3</sub>‐Type Oxide.

Belik, Alexei A.; al., et

doi:10.1002/chin.200618002

Cited by 21 publications

(30 citation statements)

References 2 publications

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“…This expression allows us to make a cumulative plot as the one shown in Fig. 1(b) forα 23 of BFO. Clearly, only two sets of modes contribute significantly: (i) low-lying Bi-dominated modes with a relatively small magnetic polarity (∼78 % of the response) and (ii) high-energy Fedominated modes that involve a relatively large change in M. We can thus conclude that the ME response is largely driven by Bi modes that do not involve the magnetic species significantly, a result that applies to all the studied compounds.…”

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confidence: 99%

Magnetoelectric Response of MultiferroicBiFeO3and Related Materials from First-Principles Calculations

Wojdeł

Íñiguez

2009

Phys. Rev. Lett.

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We present a first-principles scheme for computing the magnetoelectric response of multiferroics. We apply our method to BiFeO3 (BFO) and related compounds in which Fe is substituted by other magnetic species. We show that under certain relevant conditions -i.e., in absence of incommensurate spin modulation, as in BFO thin films and some BFO-based solid solutions -these materials display a large linear magnetoelectric response. Our calculations reveal the atomistic origin of the coupling and allow us to identify the most promising strategies to enhance it.PACS numbers: 75.80.+q, 71.15.Mb Magnetoelectric (ME) multiferroics present coupled electric and magnetic orders [1], which may allow the development of a variety of magnetic devices, from memories to spin filters, whose behavior would be switchable by application of a voltage. The experimental search for robust room-temperature (T room ) multiferroics is proving a major challenge. The first-principles contribution to this effort is quickly increasing, as shown by recent predictions of new materials [2,3,4] and novel ME coupling mechanisms [5,6,7]. Yet, many key issues remain to be addressed theoretically, as even the ME response of the most promising systems (e.g., thin films of BiFeO 3 [8]) still needs to be characterized and understood in detail. Here we describe a method for ab initio computations of the ME response of multiferroics, tackling the strainmediated contributions that typically exist in these materials. We apply our method to BiFeO 3 and related compounds.Methodology.-The response of a linear magnetoelectric that is not multiferroic -and is thus paraelectriccan be split in two contributions [9]: a purely electronic one and an ionic one. The ionic part accounts for the structural response to an electric (magnetic) field and the resulting change of magnetization (polarization). When the linear magnetoelectric is multiferroic -and thus ferroelectric -there is a third contribution associated to the piezoelectric response to the electric field. Indeed, it can be shown that all commensurate [11] multiferroics must be piezomagnetic, as the symmetries that preclude piezomagnetism are broken in such systems [12]. Hence, the combination of piezoelectricity and piezomagnetism in multiferroics results in a strain-mediated contribution to the linear ME response.In order to model such effects, we have generalized to the magnetoelectric case the formalism that Wu, Vanderbilt, and Hamann [13] (WVH in the following) introduced for a systematic ab initio treatment of dielectric and piezoelectric responses. Let us consider how the energy of a multiferroic crystal varies as a function of the following perturbations: displacements u m of atoms away from their equilibrium positions, homogeneous strains η j , and applied electric (E α ) and magnetic (H µ ) fields. Here, m is a composite label that runs over the atoms in the unit cell and displacement directions, j runs from 1 to 6 in Voigt notation, and α and µ are Cartesian directions.We write the energy per unde...

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confidence: 99%

Magnetoelectric Response of MultiferroicBiFeO3and Related Materials from First-Principles Calculations

Wojdeł

Íñiguez

2009

Phys. Rev. Lett.

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“…In particular, Bi-based ferroelectrics are under intense investigation, as they exhibit extremely large polarization [6,7] and in some cases multiferroic behavior [8,9]. In addition, the better environmental characteristics of Bi versus Pb make Bi-based ferroelectrics of great technological interest.…”

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Structure and Polarization in the HighTcFerroelectricBi(Zn,Ti)O3
Grinberg
¹
,
Suchomel
²
,
Dmowski
³

et al. 2007
Phys. Rev. Lett.
139
2
88
1
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“…52 BiMnO 3 would be then isostructural to BiScO 3 , and a comparative Rietveld study of neutron diffraction data seemed to suggest this to be the case. 53 Subsequent additional neutron diffraction experiments confirmed this space group determination, 44 but an independent report using SAED indicated the presence of long-ranged monoclinic C2 order, in coexistence with short ranged P2 or P2 1 distortions, and thus, of a polar state. 54 The length of the short range order seems to increase with the oxygen hyperstoichiometry, 39 but a P2 1 /c space group has been determined for BiMnO 3:08 .…”

Section: Revisiting Bimnomentioning

confidence: 78%

Perovskite solid solutions with multiferroic morphotropic phase boundaries and property enhancement

et al. 2016

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Recently, large phase-change magnetoelectric response has been anticipated by a first-principles investigation of phases in the BiFeO 3 -BiCoO 3 perovskite binary system, associated with the existence of a discontinuous morphotropic phase boundary (MPB) between multiferroic polymorphs of rhombohedral and tetragonal symmetries. This might be a general property of multiferroic phase instabilities, and a novel promising approach for room temperature magnetoelectricity. We review here our current investigations on the identification and study of additional material systems, alternative to BiFeO 3 -BiCoO 3 that has only been obtained by high pressure synthesis. Three systems, whose phase diagrams were, in principle, liable to show multiferroic MPBs have been addressed: the BiMnO 3 -PbTiO 3 and BiFeO 3 -PbTiO 3 binary systems, and the BiFeO 3 -BiMnO 3 -PbTiO 3 ternary one. A comprehensive study of multiferroism across different solid solutions was carried out based on electrical and magnetic characterizations, complemented with mechanical and electromechanical measurements. An in-depth structural analysis was also accomplished when necessary.

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BiScO₃: Centrosymmetric BiMnO₃‐Type Oxide.

Cited by 21 publications

References 2 publications

Magnetoelectric Response of MultiferroicBiFeO3and Related Materials from First-Principles Calculations

Magnetoelectric Response of MultiferroicBiFeO3and Related Materials from First-Principles Calculations

Structure and Polarization in the HighTcFerroelectricBi(Zn,Ti)O3
Grinberg
¹
,
Suchomel
²
,
Dmowski
³

et al. 2007
Phys. Rev. Lett.
139
2
88
1
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Perovskite solid solutions with multiferroic morphotropic phase boundaries and property enhancement

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BiScO3: Centrosymmetric BiMnO3‐Type Oxide.

Cited by 21 publications

References 2 publications

Magnetoelectric Response of MultiferroicBiFeO3and Related Materials from First-Principles Calculations

Magnetoelectric Response of MultiferroicBiFeO3and Related Materials from First-Principles Calculations

Structure and Polarization in the HighTcFerroelectricBi(Zn,Ti)O3Grinberg1, Suchomel2, Dmowski3 et al. 2007Phys. Rev. Lett.1392881View full textAdd to dashboardCite

Perovskite solid solutions with multiferroic morphotropic phase boundaries and property enhancement

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BiScO₃: Centrosymmetric BiMnO₃‐Type Oxide.

Structure and Polarization in the HighTcFerroelectricBi(Zn,Ti)O3
Grinberg
¹
,
Suchomel
²
,
Dmowski
³

et al. 2007
Phys. Rev. Lett.
139
2
88
1
View full text Add to dashboard Cite