科研之友
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摘要
Although the hexagonal barium titanate has been widely studied, the oxygen diffusivity has not been yet. The oxygen diffusivity is very important property, because the electrical properties are dominated by the amount of oxygen vacancy and the diffusivity. In this study, it is measured the diffusivity of oxygen by the tracer method and its activation energy was obtained from the Arrhenius plot. The oxygen diffusivity of hexagonal barium titanate is smaller than the cubic one and its activation energy, 1.73eV is also smaller. Because of the formation energy of oxygen vacancy in the hexagonal structure is 0.884eV smaller than the cubic structure. These are depended on the distance of nearest O-O bonding, respectively. The formation energies were calculated by the first principle calculation using VASP code.
- 出版日期2010
