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The physical nature of the ferroelectric (FE), ferrielectric (FEI) andantiferroelectric (AFE) phases, their coexistence and spatial distributionsunderpin the functionality of antiferrodistortive (AFD) multiferroics in thevicinity of morphotropic phase transitions. Using Landau-Ginzburg-Devonshire(LGD) phenomenology and a semi-microscopic four sublattice model (FSM), weexplore the behavior of different AFE, FEI and FE long-range orderings andtheir coexistence at the morphotropic phase boundaries in FE-AFE-AFDmultiferroics. These theoretical predictions are compared with the experimentalobservations for dense Bi1-yRyFeO3 ceramics, where R is Sm or La atoms with thefraction 0 < y< 0.25, as confirmed by the X-ray diffraction (XRD) andPiezoresponse Force Microscopy (PFM). These complementary measurements wereused to study the macroscopic and nanoscopic transformation of the crystalstructure with the doping. The comparison of the measured and calculated AFE/FEphase fractions demonstrate that the LGD-FSM approach well describes theexperimental results obtained by XRD and PFM for Bi1-yRyFeO3. Hence, thiscombined theoretical and experimental approach provides further insight intothe origin of the morphotropic boundaries and coexisting FE and AFE states inmodel rare-earth doped multiferroics.

A Combined Theoretical and Experimental Study of the Phase Coexistence  and Morphotropic Boundaries in  Ferroelectric-Antiferroelectric-Antiferrodistortive Multiferroics