Structure and dielectric response in the high $T_c$ ferroelectric Bi(Zn,Ti)O${}_3$-PbTiO${}_3$ solid solutions

Abstract

Theoretical {\em ab initio} and experimental methods were used to investigate the $x$Bi(Zn,Ti)O${}_3$-(1-$x$)PbTiO${}_3$ (BZT-PT) solid solution. We find that hybridization between Zn 4$p$ and O 2$p$ orbitals allows the formation of short, covalent Zn-O bonds, enabling favorable coupling between A-site and B-site displacements. This leads to large polarization, strong tetragonality and an elevated ferroelectric to paraelectric phase transition temperature. nhomogeneities in local structure near the 90${}^{\circ }$ domain boundaries can be deduced from the asymetric peak broadening in the neutron and x-ray diffraction spectra. These extrinsic effects make the ferroelectric to paraelectric phase transition diffuse in BZT-PT solid solutions.

References in corpus (2)

• First-principles study of spontaneous polarization in multiferroic BiFeO${}_3$
• Electronic structure and bond competition in the polar magnet PbVO${}_3$

Cited by in corpus (2)

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• Metamagnetism stabilized giant magnetoelectric coupling in ferroelectric \textit{x}BaTiO${}_3$-(1-\textit{x})BiCoO${}_3$ solid solution