Interlayer cation exchange stabilizes polar perovskite surfaces

Autor: Catlow, Charles Richard, Deacon-Smith, Daniel E.E., Scanlon, David O., Sokol, Alexey A., Woodley, Scott M.
Jazyk: angličtina
Rok vydání: 2014
Předmět:
ISSN: 1521-4095
Popis: 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.
Databáze: OpenAIRE