Polarization dependent chemistry of ferroelectric BaTiO3(001) domains.
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.
IRAMIS/SPCSI/LENSIS, F- 91191 Gif sur Yvette cedex, France.
Yanyu
Y
Mi
Gregory
G
Geneste
Julien E
JE
Rault
Claire
C
Mathieu
Alexandre
A
Pancotti
Nicholas
N
Barrett
D017609:Barium Compounds / Q000737:chemistry*; D004553:Electric Conductivity; D004579:Electron Transport; D008422:Materials Testing; D008962:Models, Theoretical; D008968:Molecular Conformation; D010100:Oxygen / Q000737:chemistry*; D013499:Surface Properties; D014025:Titanium / Q000737:chemistry*
D017609:Barium Compounds; C024547:barium titanate(IV); D014025:Titanium; D010100:Oxygen