Surface Structures of SrTiO3 (001): A TiO2-rich Reconstruction with a c(4 × 2) Unit Cell
We report the solution of the c(4 × 2) reconstruction of SrTiO3 (001), obtained through a combination of high-resolution transmission electron microscopy, direct methods analysis, and density functional theory. The structure is characterized by a single overlayer of TiO2 stoichiometry in which TiO5...
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| Veröffentlicht in: | Journal of the American Chemical Society 2003-08, Vol.125 (33), p.10050-10056 |
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| container_issue | 33 |
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| container_title | Journal of the American Chemical Society |
| container_volume | 125 |
| creator | Erdman, Natasha Warschkow, Oliver Asta, Mark Poeppelmeier, Kenneth R Ellis, Donald E Marks, Laurence D |
| description | We report the solution of the c(4 × 2) reconstruction of SrTiO3 (001), obtained through a combination of high-resolution transmission electron microscopy, direct methods analysis, and density functional theory. The structure is characterized by a single overlayer of TiO2 stoichiometry in which TiO5 polyhedra are arranged into edge-shared structures, in contrast to the corner-shared TiO6 polyhedra in bulk. This structural pattern is similar to that reported by us earlier for the (2 × 1) reconstruction of the same crystal face formed at higher temperature. We discuss probable mechanisms of surface stabilization as revealed by these two solutions which are likely to apply to other reconstructions of SrTiO3 (001) and, possibly, other perovskites in general. |
| doi_str_mv | 10.1021/ja034933h |
| format | Article |
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The structure is characterized by a single overlayer of TiO2 stoichiometry in which TiO5 polyhedra are arranged into edge-shared structures, in contrast to the corner-shared TiO6 polyhedra in bulk. This structural pattern is similar to that reported by us earlier for the (2 × 1) reconstruction of the same crystal face formed at higher temperature. 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We discuss probable mechanisms of surface stabilization as revealed by these two solutions which are likely to apply to other reconstructions of SrTiO3 (001) and, possibly, other perovskites in general.</description><subject>Condensed matter: structure, mechanical and thermal properties</subject><subject>Exact sciences and technology</subject><subject>Physics</subject><subject>Solid surfaces and solid-solid interfaces</subject><subject>Surface structure and topography</subject><subject>Surfaces and interfaces; thin films and whiskers (structure and nonelectronic properties)</subject><issn>0002-7863</issn><issn>1520-5126</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2003</creationdate><recordtype>article</recordtype><recordid>eNpFkU1OHDEQhS1EFCaQRS4QeQOCRSfln7bd7NCEhEgIEDNICEWyatxujScz3WB3i2SXbU6QA-UmOUlMmMCq9Op9enqqIuQNg3cMOHu_QBCyEmK-QUas5FCUjKtNMgIAXmijxBZ5ldIiS8kNe0m2GK-YlMqMyJfJEBt0nk76OLh-iD7RrqGTOA3ngu4DsIPDPz9-0iOaF7yIwc3ppXddm_7xoWvpfejnFKnbl_T3L8oP6FUbejr2y-UOedHgMvnX67lNrj4eT8cnxen5p8_jo9MCBZR9oXXNDcrKABrlRQ3IWc1YrqWbXJOJqvZKO67dTBrMPoesZlxBNQNUldgme4-5t7G7G3zq7Soklwtg67shWS1KXRmtM_h2DQ6zla_tbQwrjN_t_3tkYHcNYHK4bCK2LqRnrgQlS_PAFY9cSL3_9uRj_GqVFrq004uJPbv8cHYir2_s9XMuumQX3RDbfA_LwD78zz79T_wF8XKGRA</recordid><startdate>20030820</startdate><enddate>20030820</enddate><creator>Erdman, Natasha</creator><creator>Warschkow, Oliver</creator><creator>Asta, Mark</creator><creator>Poeppelmeier, Kenneth R</creator><creator>Ellis, Donald E</creator><creator>Marks, Laurence D</creator><general>American Chemical Society</general><scope>BSCLL</scope><scope>IQODW</scope><scope>NPM</scope><scope>7X8</scope></search><sort><creationdate>20030820</creationdate><title>Surface Structures of SrTiO3 (001): A TiO2-rich Reconstruction with a c(4 × 2) Unit Cell</title><author>Erdman, Natasha ; Warschkow, Oliver ; Asta, Mark ; Poeppelmeier, Kenneth R ; Ellis, Donald E ; Marks, Laurence D</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-a305t-77d28a4980a86e3d0a21d11fac7f144139de67c27cb48a3d0207c2b2609b0a693</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2003</creationdate><topic>Condensed matter: structure, mechanical and thermal properties</topic><topic>Exact sciences and technology</topic><topic>Physics</topic><topic>Solid surfaces and solid-solid interfaces</topic><topic>Surface structure and topography</topic><topic>Surfaces and interfaces; thin films and whiskers (structure and nonelectronic properties)</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Erdman, Natasha</creatorcontrib><creatorcontrib>Warschkow, Oliver</creatorcontrib><creatorcontrib>Asta, Mark</creatorcontrib><creatorcontrib>Poeppelmeier, Kenneth R</creatorcontrib><creatorcontrib>Ellis, Donald E</creatorcontrib><creatorcontrib>Marks, Laurence D</creatorcontrib><collection>Istex</collection><collection>Pascal-Francis</collection><collection>PubMed</collection><collection>MEDLINE - Academic</collection><jtitle>Journal of the American Chemical Society</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Erdman, Natasha</au><au>Warschkow, Oliver</au><au>Asta, Mark</au><au>Poeppelmeier, Kenneth R</au><au>Ellis, Donald E</au><au>Marks, Laurence D</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Surface Structures of SrTiO3 (001): A TiO2-rich Reconstruction with a c(4 × 2) Unit Cell</atitle><jtitle>Journal of the American Chemical Society</jtitle><addtitle>J. Am. Chem. Soc</addtitle><date>2003-08-20</date><risdate>2003</risdate><volume>125</volume><issue>33</issue><spage>10050</spage><epage>10056</epage><pages>10050-10056</pages><issn>0002-7863</issn><eissn>1520-5126</eissn><coden>JACSAT</coden><abstract>We report the solution of the c(4 × 2) reconstruction of SrTiO3 (001), obtained through a combination of high-resolution transmission electron microscopy, direct methods analysis, and density functional theory. The structure is characterized by a single overlayer of TiO2 stoichiometry in which TiO5 polyhedra are arranged into edge-shared structures, in contrast to the corner-shared TiO6 polyhedra in bulk. This structural pattern is similar to that reported by us earlier for the (2 × 1) reconstruction of the same crystal face formed at higher temperature. We discuss probable mechanisms of surface stabilization as revealed by these two solutions which are likely to apply to other reconstructions of SrTiO3 (001) and, possibly, other perovskites in general.</abstract><cop>Washington, DC</cop><pub>American Chemical Society</pub><pmid>12914468</pmid><doi>10.1021/ja034933h</doi><tpages>7</tpages></addata></record> |
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| subjects | Condensed matter: structure, mechanical and thermal properties Exact sciences and technology Physics Solid surfaces and solid-solid interfaces Surface structure and topography Surfaces and interfaces thin films and whiskers (structure and nonelectronic properties) |
| title | Surface Structures of SrTiO3 (001): A TiO2-rich Reconstruction with a c(4 × 2) Unit Cell |
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