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Wiley, Advanced Materials, 42(26), p. 7252-7256, 2014

DOI: 10.1002/adma.201401858

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Interlayer Cation Exchange Stabilizes Polar Perovskite Surfaces

Journal article published in 2014 by Daniel E. E. Deacon-Smith, David O. Scanlon ORCID, Cr Richard A. Catlow, C. Richard A. Catlow, Alexey Aa Sokol ORCID, Scott M. Woodley
This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

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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.