Polarization dependent chemistry of ferroelectric BaTiO3(001) domains |
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Authors: | Mi Yanyu Geneste Gregory Rault Julien E Mathieu Claire Pancotti Alexandre Barrett Nicholas |
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Institution: | IRAMIS/SPCSI/LENSIS, F- 91191 Gif sur Yvette cedex, France. |
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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. |
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