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| Three-dimensional computational modeling and theory predicts new feature of two-phase coexistence, i.e. appearance of a tetragonal-orthorhombic mixed state, other than conventional tetragonal-rhombohedral coexistence of decomposing Pb(Zr1-xTix)O3 (PZT) ferroelectric solid solutions near the morphotropic phase boundary (MPB). It shows that the new phase-coexistence state is formed through the phase with weak polar anisotropy loosening the rotational stability of polarization, driven by significantly decreasing the energy due to the deformation and polarization incompatibility between two phases. |
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| Keywords:Phase coexistence, Ferroelectric domain, Phase-field Method, Morphotropic phase boundary |
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