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Transition from Reconstruction toward Thin Film on the (110) Surface of Strontium Titanate.


ABSTRACT: The surfaces of metal oxides often are reconstructed with a geometry and composition that is considerably different from a simple termination of the bulk. Such structures can also be viewed as ultrathin films, epitaxed on a substrate. Here, the reconstructions of the SrTiO3 (110) surface are studied combining scanning tunneling microscopy (STM), transmission electron diffraction, and X-ray absorption spectroscopy (XAS), and analyzed with density functional theory calculations. Whereas SrTiO3 (110) invariably terminates with an overlayer of titania, with increasing density its structure switches from n × 1 to 2 × n. At the same time the coordination of the Ti atoms changes from a network of corner-sharing tetrahedra to a double layer of edge-shared octahedra with bridging units of octahedrally coordinated strontium. This transition from the n × 1 to 2 × n reconstructions is a transition from a pseudomorphically stabilized tetrahedral network toward an octahedral titania thin film with stress-relief from octahedral strontia units at the surface.

SUBMITTER: Wang Z 

PROVIDER: S-EPMC4834633 | biostudies-literature | 2016 Apr

REPOSITORIES: biostudies-literature

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Transition from Reconstruction toward Thin Film on the (110) Surface of Strontium Titanate.

Wang Z Z   Loon A A   Subramanian A A   Gerhold S S   McDermott E E   Enterkin J A JA   Hieckel M M   Russell B C BC   Green R J RJ   Moewes A A   Guo J J   Blaha P P   Castell M R MR   Diebold U U   Marks L D LD  

Nano letters 20160311 4


The surfaces of metal oxides often are reconstructed with a geometry and composition that is considerably different from a simple termination of the bulk. Such structures can also be viewed as ultrathin films, epitaxed on a substrate. Here, the reconstructions of the SrTiO3 (110) surface are studied combining scanning tunneling microscopy (STM), transmission electron diffraction, and X-ray absorption spectroscopy (XAS), and analyzed with density functional theory calculations. Whereas SrTiO3 (11  ...[more]

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