Surface structures of SrTiO3 (001)

A TiO2-rich reconstruction with a c(4 x 2) unit cell

Natasha Erdman, Oliver Warschkow, Mark Asta, Kenneth R Poeppelmeier, Donald E. Ellis, Laurence D. Marks

Research output: Contribution to journalArticle

100 Citations (Scopus)

Abstract

We report the solution of the c(4 x 2) reconstruction of SrTiO3 (001), obtained through a combination of high-resolution transmission electron microscopy, direct methods analysis, and density functional theory. The structure is characterized by a single overlayer of TiO2 stoichiometry in which TiO5 polyhedra are arranged into edge-shared structures, in contrast to the corner-shared TiO6 polyhedra in bulk. This structural pattern is similar to that reported by us earlier for the (2 x 1) reconstruction of the same crystal face formed at higher temperature. We discuss probable mechanisms of surface stabilization as revealed by these two solutions which are likely to apply to other reconstructions of SrTiO 3 (001) and, possibly, other perovskites in general.

Original languageEnglish
Pages (from-to)10050-10056
Number of pages7
JournalJournal of the American Chemical Society
Volume125
Issue number33
DOIs
Publication statusPublished - Aug 20 2003

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Surface structure
High resolution transmission electron microscopy
Transmission Electron Microscopy
Stoichiometry
Density functional theory
Stabilization
Crystals
Temperature
strontium titanium oxide

ASJC Scopus subject areas

  • Chemistry(all)

Cite this

Surface structures of SrTiO3 (001) : A TiO2-rich reconstruction with a c(4 x 2) unit cell. / Erdman, Natasha; Warschkow, Oliver; Asta, Mark; Poeppelmeier, Kenneth R; Ellis, Donald E.; Marks, Laurence D.

In: Journal of the American Chemical Society, Vol. 125, No. 33, 20.08.2003, p. 10050-10056.

Research output: Contribution to journalArticle

Erdman, Natasha ; Warschkow, Oliver ; Asta, Mark ; Poeppelmeier, Kenneth R ; Ellis, Donald E. ; Marks, Laurence D. / Surface structures of SrTiO3 (001) : A TiO2-rich reconstruction with a c(4 x 2) unit cell. In: Journal of the American Chemical Society. 2003 ; Vol. 125, No. 33. pp. 10050-10056.
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