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

Dong Kyun Seo, K. Perdue, J. Ren, M. H. Whangbo

Research output: Contribution to journalArticle

8 Citations (Scopus)

Abstract

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
Pages (from-to)245-251
Number of pages7
JournalSurface Science
Volume370
Issue number2-3
Publication statusPublished - Jan 10 1997

Fingerprint

Scanning tunneling microscopy
Electronic structure
scanning tunneling microscopy
Ultrahigh vacuum
Oxygen vacancies
ultrahigh vacuum
electronic structure
Carrier concentration
oxygen
plots
Imaging techniques
Bias voltage
polarity
strontium titanium oxide
electric potential
Experiments

Keywords

  • 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

  • Physical and Theoretical Chemistry
  • Condensed Matter Physics
  • Surfaces and Interfaces

Cite this

Study of scanning tunneling microscopy images and probable relaxations of the SrTiO3(100) surface by electronic structure calculations. / Seo, Dong Kyun; Perdue, K.; Ren, J.; Whangbo, M. H.

In: Surface Science, Vol. 370, No. 2-3, 10.01.1997, p. 245-251.

Research output: Contribution to journalArticle

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