Polarization dependent chemistry of ferroelectric BaTiO3(001) domains

J Phys Condens Matter. 2012 Jul 11;24(27):275901. doi: 10.1088/0953-8984/24/27/275901. Epub 2012 Jun 20.

Abstract

Recent works suggest that the surface chemistry, in particular the presence of oxygen vacancies, can affect the polarization in a ferroelectric material. This should, in turn, influence the domain ordering driven by the need to screen the depolarizing field. Here we show using density-functional theory that the presence of oxygen vacancies at the surface of BaTiO(3)(001) preferentially stabilizes an inward pointing, P-, polarization. Mirror electron microscopy measurements of the domain ordering confirm the theoretical results.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Barium Compounds / chemistry*
  • Electric Conductivity*
  • Electron Transport*
  • Materials Testing
  • Models, Theoretical
  • Molecular Conformation
  • Oxygen / chemistry*
  • Surface Properties
  • Titanium / chemistry*

Substances

  • Barium Compounds
  • barium titanate(IV)
  • Titanium
  • Oxygen