Interlayer Cation Exchange Stabilizes Polar Perovskite Surfaces
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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| Veröffentlicht in: | Advanced materials (Weinheim) 2014-11, Vol.26 (42), p.7252-7256 |
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| container_issue | 42 |
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| container_title | Advanced materials (Weinheim) |
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| creator | Deacon-Smith, Daniel E. E. Scanlon, David O. Catlow, C. Richard A. Sokol, Alexey A. Woodley, Scott M. |
| description | 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. |
| doi_str_mv | 10.1002/adma.201401858 |
| format | Article |
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This mechanism is likely to be general to metal oxides containing cations of differing charge.</description><subject>Cation exchanging</subject><subject>Cations</subject><subject>Charge</subject><subject>Communications</subject><subject>Exchange</subject><subject>global optimization</subject><subject>Interlayers</subject><subject>Metal oxides</subject><subject>Optimization</subject><subject>Perovskites</subject><subject>polar surfaces</subject><subject>potassium tantalate</subject><subject>structure predictions</subject><subject>surface reconstruction</subject><issn>0935-9648</issn><issn>1521-4095</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2014</creationdate><recordtype>article</recordtype><sourceid>24P</sourceid><recordid>eNqNkU1vEzEQhi0EoqFw5Yj2yGXD-Ht9AUVpCZUKVHwIxMWaOuPWdLNb7E1p-PVslRKVE5zmMM_7aEYvY085TDmAeIHLFU4FcAW80c09NuFa8FqB0_fZBJzUtTOq2WOPSvkOAM6Aecj2hObOuMZO2KujbqDc4oZyNcch9V11eB3OsTuj6uOAp6lNv6hUJ32LuTqh3F-VizSMu3WOGKg8Zg8itoWe3M599vn14af5m_r4_eJoPjuug254U-uoKfAoo9WaozMUSS-dUkIDJymD44B2SUHaqBoJcjxQW86tQAHBiij32cut93J9uqJloG7I2PrLnFaYN77H5P_edOncn_VXXgnFQcpR8PxWkPsfayqDX6USqG2xo35dPDdKCAGN1f-BCqGd0taM6HSLhtyXkinuLuLgbwryNwX5XUFj4NndP3b4n0ZGwG2Bn6mlzT90fnbwdnZXXm-zqQx0vctivvDGSqv9l3cL_22xMPaDsf6r_A0by6uM</recordid><startdate>20141101</startdate><enddate>20141101</enddate><creator>Deacon-Smith, Daniel E. 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| ispartof | Advanced materials (Weinheim), 2014-11, Vol.26 (42), p.7252-7256 |
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| language | eng |
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| source | Wiley Online Library Journals Frontfile Complete |
| subjects | Cation exchanging Cations Charge Communications Exchange global optimization Interlayers Metal oxides Optimization Perovskites polar surfaces potassium tantalate structure predictions surface reconstruction |
| title | Interlayer Cation Exchange Stabilizes Polar Perovskite Surfaces |
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