Surface reconstructions and related local properties of a BiFeO 3 thin film.

Coupling between lattice and order parameters, such as polarization in ferroelectrics and/or polarity in polar structures, has a strong impact on surface relaxation and reconstruction. However, up to now, surface structures that involve the termination of both matrix polarization and polar atomic planes have received little attention, particularly on the atomic scale. Here, we study surface structures on a BiFeO3 thin film using atomic-resolution scanning transmission electron microscopy and spectroscopy. Two types of surface structure are found, depending on the polarization of the underlying ferroelectric domain. On domains that have an upward polarization component, a layer with an Aurivillius-Bi2 O2 -like structural unit is observed. Dramatic changes in local properties are measured directly below the surface layer. On domains that have a downward polarization component, no reconstructions are visible. Calculations based on ab initio density functional theory reproduce the results and are used to interpret the formation of the surface structures.