2012
DOI: 10.1080/07399332.2012.678127
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On the Link Beween Octahedral Rotations and Conductivity in the Domain Walls of BiFeO3

Abstract: We analyze the hypothetical link between octahedral straightening and increased conductivity inside the domain walls of BiFeO 3 . Our calculations for 109° walls predict a lattice parameter expansion of c.a. 1% in the direction perpendicular to the wall, and an associated straightening of the octahedral rotation angle of 4 o , which is comparable to that observed in the high temperature metallic phase of BiFeO 3 . On the other hand, in the closely related family of rare-earth orthoferrites, straighter octahedr… Show more

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Cited by 15 publications
(12 citation statements)
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“…In fact, the close relation between phase boundary conductivity and oxygen octahedral tilt has been discussed. 40 The observed difference in conductivity at the phase boundaries (Figure 2d) can then be attributed to local changes in the Fe-O-Fe angle.…”
Section: Resultsmentioning
confidence: 94%
“…In fact, the close relation between phase boundary conductivity and oxygen octahedral tilt has been discussed. 40 The observed difference in conductivity at the phase boundaries (Figure 2d) can then be attributed to local changes in the Fe-O-Fe angle.…”
Section: Resultsmentioning
confidence: 94%
“…It can also depend on the change of Ω parameter that takes place in the vicinity of FE DW. In particular, the octahedral straightening, as was shown by Catalan [55], can be caused by strain-rotation coupling inside FE DWs of BFO.…”
Section: Review @ Rrlmentioning
confidence: 71%
“…Catalan [43] has used this approach to calculate the local strain and octahedral rotations at the centre of the bismuth ferrite domain walls. In this work, the domain wall is treated as a pseudo-paraelectric phase (a phase with cancelled polarization along the appropriate axes), epitaxially clamped between the ferroelectric domains.…”
Section: Domain Wall Structurementioning
confidence: 99%
“…If the unit cell is expanded-as must happen inside a ferroelectric domain wall-then the tilts will be reduced. Figure from Catalan [43], copyright by Taylor and Francis defect is random bond or random field. Specifically, the theoretical roughness coefficient in a random bond system is [47][48][49] …”
Section: Domain Wall Roughnessmentioning
confidence: 99%
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