Polarization dependent chemistry of ferroelectric BaTiO3(001) domains

Autor: Julien E. Rault, Yanyu Mi, Grégory Geneste, Claire Mathieu, Nicholas Barrett, A. Pancotti
Rok vydání: 2012
Předmět:
Zdroj: Journal of physics. Condensed matter : an Institute of Physics journal. 24(27)
ISSN: 1361-648X
Popis: 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 BaTiO3 (001) preferentially stabilizes an inward pointing, P-, polarization. Mirror electron microscopy measurements of the domain ordering confirm the theoretical results.
Comment: 11 pages, 6 figures
Databáze: OpenAIRE