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Structure of a ferroelectric and ferroelastic monodomain crystal of the perovskite BiFeO3
Open accessAbstract
A ferroelec. and ferroelastic monodomain single crystal of BiFeO3 at space group R3c is rhombohedral, with a 5.57874(16), c 13.8688(3) .ANG.; arh 5.6343 .ANG., arh 59.348 Deg; d. (calcd.) = 8.337 for Z = 6. Final R = 2.4, Rw = 1.9% for 422 reflections. The structure can be described as a rhombohedrally distorted simple cubic perovskite cell. The O octahedron is distorted with min. and max. O-O distances of 2.710(7) and 3.015(9) .ANG., resp., and rotated by about +- a = 13.8(3) Deg around the 3-fold axis. The Fe atom is shifted away from the center of the deformed octahedron by .apprx.0.134(7) .ANG. along the 3-fold axis. The Bi atom is shifted with respect to 2 neighboring octahedron centers by .apprx.0.540(7) .ANG. along the 3-fold axis. The ferroelec. poling mechanism was analyzed: atom displacements were calcd. for 60, 120 and 180 Deg switching of Ps and found to be 0.44, 0.62 and 0.82 .ANG. for Fe. Av. oxygen displacements for +a (-a) rotated octahedra were 0.87 (0.89) 1.13 (1.24) and 1.34 (1.53) .ANG.. Av. Bi shifts were <0.06 .ANG.. As the displacements increase in the order 60, 120 and 180 Deg switching of Ps, the 180 Deg reversal must have a very high activation energy and will be avoided.
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Citations
Cited by
Electrical control of antiferromagnetic domains in multiferroic BiFeO3 films at room temperature
Zhao, T., Scholl, A., Zavaliche, F., Lee, K., Barry, M., Doran, A., Cruz, M. P., Chu, Y. H., Ederer, C., Spaldin, N. A., et al. (2006) · Nature Materials · doi:10.1038/nmat1731 · Cited by 1,297
Wang, Y. P., Zhou, L., Zhang, M. F., Chen, X. Y., Liu, J.-M., & Liu, Z. G. (2004) · Applied Physics Letters · doi:10.1063/1.1667612 · Cited by 1,050
The single-phase multiferroic oxides: from bulk to thin film
Prellier, W., Singh, M. P., & Murugavel, P. (2005) · Journal of Physics: Condensed Matter · doi:10.1088/0953-8984/17/30/r01 · Cited by 668
BiFeO 3 Ceramics: Processing, Electrical, and Electromechanical Properties
Rojac, T., Bencan, A., Malic, B., Tutuncu, G., Jones, J. L., Daniels, J. E., & Damjanovic, D. (2014) · Journal of the American Ceramic Society · doi:10.1111/jace.12982 · Cited by 482
Electric Field-Induced Magnetization Switching in Epitaxial Columnar Nanostructures
Zavaliche, F., Zheng, H., Mohaddes-Ardabili, L., Yang, S. Y., Zhan, Q., Shafer, P., Reilly, E., Chopdekar, R., Jia, Y., Wright, P., et al. (2005) · Nano Letters · doi:10.1021/nl051406i · Cited by 448
Metadata
- Authors
- Kubel, F., & Schmid, H.
- Venue
- Acta Crystallographica Section B Structural Science
- Published
- 1990-12-01
- Volume
- 46
- Issue
- 6
- Pages
- 698-702
- ISSN
- 0108-7681 (ISSN-L)
- OpenAlex
- W2144675308
- Cited by
- 1,317
- References
- 0
- FWCI
- 1.35
- Type
- journal article
- Language
- en
- Open access
- green
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- Kubel, F., & Schmid, H. (1990). Structure of a ferroelectric and ferroelastic monodomain crystal of the perovskite BiFeO3. Acta Crystallographica Section B Structural Science. https://doi.org/10.1107/s0108768190006887
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