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Title: Transition from reconstruction toward thin film on the (110) surface of strontium titanate

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 SrTiO 3 (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 SrTiO 3 (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. Furthermore, 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.
 [1] ;  [2] ;  [2] ;  [1] ;  [1] ;  [2] ;  [1] ;  [3] ;  [4] ;  [4] ;  [5] ;  [1] ;  [3] ;  [1] ;  [2]
  1. TU Wien, Vienna (Austria)
  2. Northwestern Univ., Evanston, IL (United States)
  3. Univ. of Oxford, Oxford (United Kingdom)
  4. Univ. of Saskatchewan, Saskatoon, SK (Canada)
  5. Chinese Academy of Sciences (CAS), Beijing (People's Republic of China)
Publication Date:
Grant/Contract Number:
FG02-01ER45945; FG02-03ER15457; FG02-03-ER15457
Published Article
Journal Name:
Nano Letters
Additional Journal Information:
Journal Volume: 16; Journal Issue: 4; Journal ID: ISSN 1530-6984
American Chemical Society
Research Org:
Northwestern Univ., Evanston, IL (United States)
Sponsoring Org:
USDOE Office of Science (SC)
Country of Publication:
United States
36 MATERIALS SCIENCE; DFT; epitaxy; reconstruction; surface structure; thin film nanostructures
OSTI Identifier:
Alternate Identifier(s):
OSTI ID: 1345021