R3c-R3m Octahedron-tilting Transition in Rhombohedrally-distorted BiFeO3 Multiferroics
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- Title
- R3c-R3m Octahedron-tilting Transition in Rhombohedrally-distorted BiFeO3 Multiferroics
- Authors
- Jeong, YK; Bark, CW; Ryu, S; Lee, JH; Jang, HM
- Date Issued
- 2011-04
- Publisher
- KOREAN PHYSICAL SOC
- Abstract
- Multiferroic BiFeO3 (BFO) with the rhombohedral R3c symmetry is characterized by a clockwise-counterclockwise tilting (theta) of the FeO6 octahedron unit along the threefold pseudo-cubic [111](c) direction. A phase transition associated with the disappearance of theta is conceivable at a high temperature as thermal energy tends to break up this antiferro-distortive ordering network along the [111](c) direction. Based on a high-resolution synchrotron X-ray diffraction study, we have found that the R3c BFO undergoes a transition to the R3m symmetry (with theta = 0) at similar to 530 K, which is substantially lower than the antiferro-to-paramagnetic transition temperature of 643 K. The energy lowering caused by an antiferrodistortive R3c pairing is estimated to be 0.28 eV per unit cell.
- Keywords
- Octahedron-tilting; Multiferroic; AUGMENTED-WAVE METHOD; CRYSTAL
- URI
- https://oasis.postech.ac.kr/handle/2014.oak/17517
- DOI
- 10.3938/JKPS.58.817
- ISSN
- 0374-4884
- Article Type
- Article
- Citation
- JOURNAL OF THE KOREAN PHYSICAL SOCIETY, vol. 58, no. 4, page. 817 - 820, 2011-04
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