Chen, Yu, Xu, Jiageng, Xie, Shaoxiong, Tan, Zhi, Nie, Rui, Guan, Zhongwei 
ORCID: 0000-0002-6967-3508, Wang, Qingyuan and Zhu, Jianguo
(2018)
Ion Doping Effects on the Lattice Distortion and Interlayer Mismatch of Aurivillius-Type Bismuth Titanate Compounds.
MATERIALS, 11 (5).
E821-.
ISSN 1996-1944, 1996-1944
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Ion Doping Effects on the Lattice Distortion and Interlayer Mismatch of Aurivillius-Type Bismuth Titanate Compounds.pdf - Author Accepted Manuscript Download (3MB) |
Abstract
Taking Bismuth Titanate (Bi₄Ti₃O<sub>12</sub>) as a Aurivillius-type compound with <i>m</i> = 3 for example, the ion (W<sup>6+</sup>/Cr<sup>3+</sup>) doping effect on the lattice distortion and interlayer mismatch of Bi₄Ti₃O<sub>12</sub> structure were investigated by stress analysis, based on an elastic model. Since oxygen-octahedron rotates in the ab-plane, and inclines away from the c-axis, a lattice model for describing the status change of oxygen-octahedron was built according to the substituting mechanism of W<sup>6+</sup>/Cr<sup>3+</sup> for Ti<sup>4+</sup>, which was used to investigate the variation of orthorhombic distortion degree (<i>a/b</i>) of Bi₄Ti₃O<sub>12</sub> with the doping content. The analysis shows that the incorporation of W<sup>6+</sup>/Cr<sup>3+</sup> into Bi₄Ti₃O<sub>12</sub> tends to relieve the distortion of pseudo-perovskite layer, which also helps it to become more stiff. Since the bismuth-oxide layer expands while the pseudo-perovskite layer tightens, an analytic model for the plane stress distribution in the crystal lattice of Bi₄Ti₃O<sub>12</sub> was developed from the constitutive relationship of alternating layer structure. The calculations reveal that the structural mismatch of Bi₄Ti₃O<sub>12</sub> is constrained in the ab-plane of a unit cell, since both the interlayer mismatch degree and the total strain energy vary with the doping content in a similar trend to the lattice parameters of ab-plane.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | Bi4Ti3O12, lattice distortion, interlayer mismatch, oxygen-octahedron, elastic model |
| Depositing User: | Symplectic Admin |
| Date Deposited: | 27 Jun 2018 06:38 |
| Last Modified: | 07 Dec 2024 20:53 |
| DOI: | 10.3390/ma11050821 |
| Related URLs: | |
| URI: | https://livrepository.liverpool.ac.uk/id/eprint/3023056 |
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