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Three-Dimensional Pseudo-Ferroelectric Domain Walls in BiFeO3: Atomic-Scale Oxygen Octahedral Rotation and Polar Geometry
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DOI：10.1021/acs.nanolett.6c02003.png)
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Abstract
En 中文
The emergence of multiferroic order in perovskite thin films is governed by symmetry-broken coupling between polar domains and magnetic order parameters; however, currently prevailing theoretical frameworks, due to a constraint of reduced-dimensional approximations, fail to capture the inherent three-dimensional (3D) complexity of domain-mediated cross-correlations. Here, performing atomic-resolution HAADF/iDPC-STEM on BiFeO3 (BFO), we discover a “pseudo-ferroelectric domain wall” bridging (11¯4¯)h/(1¯1¯0)h planes of BFO, in which two-dimensional (2D) projection indicates a domain-wall angle of 54.37°, but the actual 3D orientation remains 70.17°. When the (11¯4¯)h plane is rotated 90° about the [22¯1]h axis, it reveals the atomic arrangement of the (1¯1¯0)h plane, with polarization along [001¯]. These noncanonical 3D walls arise from oxygen-rearrangement-induced structural deviations and asymmetric Fe–O lattice coupling, which generate chiral polarization stabilized by a potent tripartite interaction between ferroelectric, shear, and spin degrees of freedom. This work provides a design principle for reconfigurable domain wall nanoelectronics.
Keywords:
3D domain wall
BiFeO3
Ferroelectric polarization
Oxygen octahedral rotation
STEM
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9.1
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2.7W
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16.5W
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