Effects of a rotating electric field on the properties of epitaxial (001) Pb(Zr,Ti)O3 ultrathin film: a first-principles-based study.

Pb(Zr,Ti)O3 ultrathin films under open-circuit electrical boundary conditions and subjected to an electric field rotating in the (1¯10) plane are investigated via the use of an effective Hamiltonian, for different magnitudes of this field. Varying the direction and magnitude of the electric field leads to specific reorganization of dipoles into original configuration states, whose microstructures and macroscopic properties are revealed. In particular, a novel (direction of the electric field-versus-magnitude of the electric field) phase diagram is reported here. The field-induced correlation between the polar distortions and the oxygen octahedral tilting is also discussed.