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

Z. Wang*, A. Loon, A. Subramanian, S. Gerhold, E. McDermott, J. A. Enterkin, M. Hieckel, B. C. Russell, R. J. Green, A. Moewes, J. Guo, P. Blaha, M. R. Castell, U. Diebold, L. D. Marks

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

20 Scopus citations

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.

Original languageEnglish (US)
Pages (from-to)2407-2412
Number of pages6
JournalNano letters
Volume16
Issue number4
DOIs
StatePublished - Apr 13 2016

Keywords

  • DFT
  • Surface structure
  • epitaxy
  • reconstruction
  • thin film nanostructures

ASJC Scopus subject areas

  • Bioengineering
  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanical Engineering

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