The (2 × 2) reconstructions on the SrTiO3 (001) surface: A combined scanning tunneling microscopy and density functional theory study

Yuyuan Lin, Andres E. Becerra-Toledo, Fabien Silly, Kenneth R. Poeppelmeier, Martin R. Castell, Laurence D. Marks

Research output: Contribution to journalArticle

31 Citations (Scopus)

Abstract

Scanning tunneling microscopy study showed that the (2 × 2) reconstruction on the (001) surface of SrTiO3 should have a surface structure with a 4-fold symmetry. The previously proposed solution for the (2 × 2) reconstruction with the p2gm symmetry only has a 2-fold symmetry. In this study density functional theory study was carried out to propose a possible surface structure with the p4mm surface symmetry which matches the scanning tunneling microscopy images and suggests that two different (2 × 2) surface structures exist. The formation of the (2 × 2) reconstruction with the p4mm symmetry may be due to the kinetics as it has slightly higher surface energy than the one with the p2gm symmetry.

Original languageEnglish
Pages (from-to)L51-L55
JournalSurface Science
Volume605
Issue number17-18
DOIs
Publication statusPublished - Sep 1 2011

Keywords

  • Density functional theory
  • Scanning tunneling microscopy
  • Simulation
  • Strontium titanate
  • Surface reconstruction
  • Surface structure

ASJC Scopus subject areas

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

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