  Ferroelectric and dielectric properties of polydomain (twinned)
single-crystal Pb(Zr1-xTix)O3 thin films are described with the aid of a
nonlinear thermodynamic theory, which has been developed recently for epitaxial
ferroelectric films with dense laminar domain structures. For Pb(Zr1-xTix)O3
(PZT) films with compositions x = 0.9, 0.8, 0.7, 0.6, 0.5, and 0.4, the "misfit
strain-temperature" phase diagrams are calculated and compared with each other.
It is found that the equilibrium diagrams of PZT films with x > 0.7 are similar
to the diagram of PbTiO3 films. They consist of only four different stability
ranges, which correspond to the paraelectric phase, single-domain tetragonal
ferroelectric phase, and two pseudo-tetragonal domain patterns. In contrast, at
x = 0.4, 0.5, and 0.6, the equilibrium diagram displays a rich variety of
stable polarization states, involving at least one monoclinic polydomain state.
Using the developed phase diagrams, the mean out-of-plane polarization of a
poled PZT film is calculated as a function of the misfit strain and
composition. Theoretical results are compared with the measured remanent
polarizations of PZT films grown on SrTiO3. Dependence of the out-of-plane
dielectric response of PZT films on the misfit strain in the heterostructure is
also reported.
