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Interlayer Cation Exchange Stabilizes Polar Perovskite Surfaces

Advanced Materials (2014) 26(42) 7252-7256
DOI: 10.1002/adma.201401858
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Abstract

Global optimization is used to study the structure of the polar KTaO3 (001) surface. It is found that cation exchange near the surface leads to the most stable structure. This mechanism is likely to be general to metal oxides containing cations of differing charge.

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Deacon-Smith, D. E. E., Scanlon, D. O., Catlow, C. R. A., Sokol, A. A., & Woodley, S. M. (2014). Interlayer Cation Exchange Stabilizes Polar Perovskite Surfaces. Advanced Materials, 26(42), 7252–7256. https://doi.org/10.1002/adma.201401858

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