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Grain boundary structural transformation induced by co-segregation of aliovalent dopants
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Journal Article
Grain boundary structural transformation induced by co-segregation of aliovalent dopants
2022
Overview
Impurity doping is a conventional but one of the most effective ways to control the functional properties of materials. In insulating materials, the dopant solubility limit is considerably low in general, and the dopants often segregate to grain boundaries (GBs) in polycrystals, which significantly alter their entire properties. However, detailed mechanisms on how dopant atoms form structures at GBs and change their properties remain a matter of conjecture. Here, we show GB structural transformation in
α
-Al
2
O
3
induced by co-segregation of Ca and Si aliovalent dopants using atomic-resolution scanning transmission electron microscopy combined with density functional theory calculations. To accommodate large-sized Ca ions at the GB core, the pristine GB atomic structure is transformed into a new GB structure with larger free volumes. Moreover, the Si and Ca dopants form a chemically ordered structure, and the charge compensation is achieved within the narrow GB core region rather than forming broader space charge layers. Our findings give an insight into GB engineering by utilizing aliovalent co-segregation.
The effect of aliovalent doping on grain boundary is not yet fully understood at the atomic level. Here, the authors report grain boundary structural transformation in α-Al
2
O
3
is induced by co-segregation of multiple dopants using atomic-resolution electron microscopy and theoretical calculations.
Publisher
Nature Publishing Group UK,Nature Publishing Group,Nature Portfolio
