C(4 × 2) and related structural units on the SrTiO 3(001) surface: Scanning tunneling microscopy, density functional theory, and atomic structure

A. E. Becerra-Toledo*, M. S.J. Marshall, M. R. Castell, L. D. Marks

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

21 Scopus citations

Abstract

Density functional theory is used to simulate high-bias, constant-current scanning tunneling micrographs for direct comparison with experimental images. Coupled to previous spectroscopic data, these simulations are used to determine the atomic structure of Ti-rich nanostructures on strontium titanate (001) surfaces. These nanostructures have three consecutive TiO x surface layers and exploit the distinctive structural motif of the c(4 × 2) reconstruction as their main building block. A structural model of a characteristic triline defect is also proposed.

Original languageEnglish (US)
Article number214701
JournalJournal of Chemical Physics
Volume136
Issue number21
DOIs
StatePublished - Jun 7 2012

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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