Chemical Bonding and Atomic Structure in Y(2) O(3) :ZrO(2) -SrTiO(3) Layered Heterostructures |
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| Authors: | Dyer Matthew S Darling George R Claridge John B Rosseinsky Matthew J |
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| Affiliation: | Department of Chemistry, University of Liverpool, Liverpool, L69 7ZD (UK). |
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| Abstract: | Repeating boundaries: The buried interfaces in artificial heterostructures produced by sequential deposition of nanosized units are critical to their properties. With density functional theory it was shown that in Y(2) O(3) :ZrO(2) (YSZ) and SrTiO(3) (STO) heterostructures reconstruction of the interfaces between the component units is required to access the most favorable structure. |
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| Keywords: | ionic conductors metal oxides solid‐state structures |
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