Vacant-site octahedral tilings on SrTiO(3) (001), the (sqrt[13]×sqrt[13])R33.7° surface, and related structures

The structure of the SrTiO(3) (001) (sqrt[13]×sqrt[13])R33.7° surface reconstruction has been determined using transmission electron diffraction combined with direct methods and density functional theory. It has a TiO(2)-rich surface with a 2D tiling of edge or corner-sharing TiO(5)□ octahedra. Addi...

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Bibliographic Details
Published in:Physical review letters 2011-04, Vol.106 (17), p.176102-176102
Main Authors: Kienzle, D M, Becerra-Toledo, A E, Marks, L D
Format: Article
Language:English
Online Access:Get full text
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Summary:The structure of the SrTiO(3) (001) (sqrt[13]×sqrt[13])R33.7° surface reconstruction has been determined using transmission electron diffraction combined with direct methods and density functional theory. It has a TiO(2)-rich surface with a 2D tiling of edge or corner-sharing TiO(5)□ octahedra. Additionally, different arrangements of these octahedral units at the surface, dictated by local bond-valence sums, form 2D networks that can account for many ordered surface reconstructions as well as disordered glasslike structures consistent with the multitude of structures observed experimentally, and potentially other materials and interfaces.
ISSN:1079-7114