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Applied Physics Letters / Volume 96 / Issue 9 / STRUCTURAL, MECHANICAL, THERMODYNAMIC, AND OPTICAL PROPERTIES OF CONDENSED MATTER

Appl. Phys. Lett. 96, 091905 (2010); http://dx.doi.org/10.1063/1.3337110 (3 pages)

Hexagonal BaTi1−xCoxO3 phase stabilized by Co dopants

Yuanyuan Li, Qinghua Liu, Tao Yao, Zhiyun Pan, Zhihu Sun, Yong Jiang, Hong Zhang, Zijia Pan, Wensheng Yan, and Shiqiang Wei

National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei, Anhui 230029, People’s Republic of China

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(Received 20 November 2009; accepted 3 February 2010; published online 2 March 2010)

The phase transition from tetragonal to hexagonal of crystalline BaTi1−xCoxO3 (0.01 ≤ x ≤ 0.20) powders prepared by solid state reaction has been studied by x-ray diffraction and x-ray absorption fine structure (XAFS). At the low Co doping level of x ≤ 0.03, the structure of the samples is tetragonal, and it is transformed gradually to a hexagonal structure upon increasing Co content to ≥ 0.05. The detailed analysis of Co K-edge XAFS indicated unambiguously that the doped Co ions are substantially incorporated into the BaTiO3 host and likely serve as a trigger in leading the structure transition. On the basis of the formation energy calculations, we find that there exists a critical Co concentration in the x range of 0.027–0.055 for inducing the tetragonal-to-hexagonal structure transition of BaTi1−xCoxO3, in good agreement with the experimental observations.

© 2010 American Institute of Physics

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KEYWORDS and PACS

Keywords

barium compounds, cobalt, doping, solid-state phase transformations, XANES, X-ray diffraction

PACS

  • 64.70.K-

    Solid-solid transitions

  • 81.30.Hd

    Constant-composition solid-solid phase transformations: polymorphic, massive, and order-disorder

  • 61.72.U-

    Doping and impurity implantation

  • 78.70.Dm

    X-ray absorption spectra

ARTICLE DATA

Digital Object Identifier
http://dx.doi.org/10.1063/1.3337110

PUBLICATION DATA

ISSN

0003-6951 (print)  
1077-3118 (online)

Publisher

$abstract.society.value is a Member of CrossRef American Institute of Physics

For access to fully linked references, you need to log in.
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