Stress-driven reconstruction of an oxide surface: The anatase TiO2(001)-(1 × 4) surface

M. Lazzeri, Annabella Selloni

Research output: Contribution to journalArticle

238 Scopus citations

Abstract

The stress-driven reconstruction of the stoichiometric anatase TiO2(001) surface was investigated using first principles density functional calculations. The occurrence of the reconstruction was rationalized in terms of the relief of the large surface stress present on the unreconstructed surface. The results show that the rows of TiO3 species replace rows of surface bridging oxygens of the surface leading to a relief of the large surface tensile stress present on that surface.

Original languageEnglish (US)
Pages (from-to)2661051-2661054
Number of pages4
JournalPhysical Review Letters
Volume87
Issue number26
StatePublished - Dec 24 2001

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)

Fingerprint Dive into the research topics of 'Stress-driven reconstruction of an oxide surface: The anatase TiO<sub>2</sub>(001)-(1 × 4) surface'. Together they form a unique fingerprint.

  • Cite this