Study of scanning tunneling microscopy images and probable relaxations of the SrTiO3(100) surface by electronic structure calculations

D. K. Seo, K. Perdue, J. Ren, M. H. Whangbo

Research output: Contribution to journalArticlepeer-review

9 Scopus citations


Partial electron density plots were calculated for a model SrTiO3(100) surface with √ × √5 ordered oxygen vacancy to examine why the bright spots of the scanning tunneling microscopy (STM) images of SrTiO3(100) observed in ultrahigh vacuum (UHV) correspond to the oxygen vacancy sites. Possible dependence of the image on the polarity and magnitude of the bias voltage was also discussed on the basis of partial electron density plot calculations. Our study strongly suggests that the UHV STM imaging involves the lowest-lying d-block level of every two Ti3+ centers adjacent to an oxygen vacancy, the tip-sample distance involved in the UHV STM experiments is substantially larger than that involved in typical ambient-condition STM imaging, and the Ti4+ and Ti3+ sites of SrTiO3(100) are reconstructed.

Original languageEnglish (US)
Pages (from-to)245-251
Number of pages7
JournalSurface Science
Issue number2-3
StatePublished - Jan 10 1997
Externally publishedYes


  • Scanning tunneling microscopy
  • Semi-empirical models and model calculations
  • Single crystal surfaces
  • Surface electronic phenomena
  • Surface relaxation and reconstruction
  • Titanium oxide

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Surfaces and Interfaces
  • Surfaces, Coatings and Films
  • Materials Chemistry


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