Ferro- and piezoelectric properties of Bi4−xPrxTi3O12 polycrystalline thick films with Ps-vector orientation

ABSTRACTTo reveal the complete performance of intrinsic ferroelectriciy-related properties in single crystalline bismuth-layer-structured displacive ferroelectrics in film form on Si, the crucial roles of both orientation control technology by lattice matching from the atomic arrangement of substrate layer and configuration of the volume fraction of 90°-domain during cooling process were demonstrated. 1.2 μm-thick and Pr3+-substituted Bi4-xPrxTi3O12 (BPT, x =0.0, 0.3, 0.5, 0.7) films were grown on Ir(111)/Ti/SiO2/Si(001) substrates by chemical solution deposition (CSD) method with preferred orientation along the major component of Ps vector. BPT film of x =0.3 exhibited superb ferroelectric properties of remanent polarization 2Pr=92 μC/cm2, saturation polarization Psat=50 μC/cm2, and coercive field 2Ec=184 kV/cm. The film also showed uniform piezoelectric response with an effective piezoelectric coefficient of AFM-d33=36 pm/V. During the decomposition of precursor solutions, IrO2 layers were formed at the surface of Ir layers and promoted a/b-axes orientation. During the cooling process after grain growth, in addition, the differential thermal expansion and residual strain between film and substrate introduced bidirectional lateral stress into BPT film and might eliminate the 90°-domain walls dividing a-and b-domains through the relaxation by domain formation at the Curie temperature TC. Consequently the polar-axis orientation was distinctively grown along the film normal and the conjugate non-polar-axis was grown in-plane.

Prediction of new displacive ferroelectrics through systematic pseudosymmetry search. Results for materials with Pba2 and Pmc21 symmetry

Polar structures with pseudosymmetry related to a hypothetical non-polar configuration are considered as good candidates for ferroelectrics. Recently, a procedure has been developed for a systematic pseudosymmetry search among structures with a given space-group symmetry. The aim of this paper is the extension of the pseudosymmetry procedure to the case of structures with polar symmetry and its application in the search for new ferroelectrics. The results obtained by the generalized pseudosymmetry search among the compounds with symmetries Pba2 and Pmc2_1 listed in the Inorganic Crystal Structure Database are discussed. The calculations have been performed by the program PSEUDO, which forms part of the Bilbao Crystallographic Server (http://www.cryst.ehu.es). In addition, an empirical relation between the atomic displacements necessary to reach the non-polar structure and the transition temperature is proposed and compared with the Abrahams–Kurtz–Jamieson relation.