Zr segregation and associated Al vacancies in alumina grain boundaries
Zr segregation and associated Al vacancies in alumina grain boundaries
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氧化铝晶界中的 Zr 偏析和相关的 Al 空位
DOI：
10.2109/jcersj2.119.840
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发表时间：
2011
影响因子：
1.1
通讯作者：
Y. Ikuhara
中科院分区：
文献类型：
--
作者：
J. Buban;T. Mizoguchi;N. Shibata;E. Abe;Takahisa Yamamoto;Y. Ikuhara;Y. Ikuhara
晶界处的偏析掺杂剂显著地改变材料的机械和电学性质。因此，了解这些掺杂剂的行为是进一步开发材料的关键。在这里，Zr掺杂的氧化铝（Al2O3）双晶体的制造和晶界的原子结构，其特征在于使用扫描透射电子显微镜（STEM）。Zr被发现沿沿着晶界偏聚到特定位置，晶界被弱图像强度的Al柱包围。第一性原理计算和静态晶格计算表明，电荷补偿铝空位是最稳定的铝列附近的位置的Zr网站。STEM图像的多切片模拟证实，含有空位的Al柱表现出图像强度的降低。这些结果表明，伴生铝空位强烈影响其原子位偏析行为的锆。
Segregated dopants at grain boundary dramatically change the material’s mechanical and electrical properties. The knowledge of the behavior of these dopants are therefore key for further material developments. Here, a Zr doped alumina (Al2O3) bicrystal was fabricated and the atomic structure of the grain boundary was characterized using scanning transmission electron microscopy (STEM). Zr was found to segregate to specific sites along the grain boundary, which was neighbored by Al columns of weak image intensity. First principles calculations and static lattice calculations revealed that the charge compensating Al vacancies are most stable in Al columns neighboring the location of the Zr sites. Multi-slice simulations of STEM images confirmed that Al columns containing vacancies exhibit a reduction in image intensity. These results indicate that associated Al vacancies strongly influence its atomic site segregation behavior of Zr.
影响因子：
64.8
作者：
Klie, RF;Buban, JP;Pennycook, SJ
通讯作者：
Pennycook, SJ
影响因子：
56.9
作者：
Buban, JP;Matsunaga, K;Ikuhara, Y
通讯作者：
Ikuhara, Y