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Polarization dependent chemistry of ferroelectric BaTiO3(001) domains.

Journal of physics. Condensed matter : an Institute of Physics journal (2012-06-21)
Yanyu Mi, Gregory Geneste, Julien E Rault, Claire Mathieu, Alexandre Pancotti, Nicholas Barrett
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.

MATERIALS
Product Number
Brand
Product Description

Sigma-Aldrich
Barium titanate(IV), powder, <3 μm, 99%
Sigma-Aldrich
Barium titanate(IV), powder, <2 μm, 99.5% trace metals basis
Sigma-Aldrich
Barium titanate(IV), nanopowder (cubic crystalline phase), <100 nm particle size (BET), ≥99% trace metals basis