This article reviews the history of piezoelectric perovskites and forecasts future development trends, including Uchino's discoveries such as the Pb(Mg1/3Nb2/3)O3-PbTiO3 electrostrictor, Pb(Zn1/3Nb2/3)O3-PbTiO3 single crystal, (Pb, La)(Zr, Ti)O3 photostriction, and Pb(Zr, Ti)O3-Terfenol magnetoelectric composites. We discuss five key trends in the development of piezomaterials: performance to r...

The ternary perovskite system PbTiO3-Bi(Zn1/2Ti1/2)O3-Bi(Mg1/2Ti1/2)O3 was investigated in an attempt to capture the enhanced tetragonality of the PbTiO3-Bi(Zn1/2Ti1/2)O3 binary system at a morphotropic phase boundary (MPB) to improve piezoelectric performance. Results from the (1 x)[0.75 PbTiO3-0.25Bi(Zn1/2Ti1/2)O3]-(x)Bi(Mg1/2Ti1/2)O3 pseudo-binary solution indicate the formation of an MPB-ty...

We present and discuss the results of calculations of surface relaxations and rumplings for the 001 and 011 surfaces of BaTiO3 and PbTiO3 using a hybrid B3PW description of exchange and correlation. On the 001 surfaces, we consider both AO A=Ba or Pb and TiO2 terminations. In the former case, the surface AO layer is found to relax inward for both materials, while outward relaxations of all atom...

We report the displacive and order–disorder characters of PbTiO3 analyzed using a classical atomic model which was developed under the inverse relation between the bond length and the bond valence. The ferroelectric phase changes to the paraelectric phase around 700 K, and the histograms of Ti–O and Pb–O bond lengths have three peaks which become a single peak above the phase transition tempera...

We investigate the oxygen octahedral rotations that occur in two perovskites, SrTiO3 and PbTiO3, as a function of applied three-dimensional electric displacement field, allowing us to map out the phase diagram of rotations in both the paraelectric and ferroelectric regions of the polar response. First-principles calculations at fixed electric displacement field are used to extract parameters of...

Stable ferroelectric (FE) phases in nanometer-thick films would enable ultra-high density and fast FE field effect transistors (FeFETs), and the stability of ferroelectricity in ultrathin films has been under intense theoretical and experimental investigation. Here we predict, using density functional theory calculations, that the low-energy epitaxial PbTiO3 (001)/Pt interface strengthens the e...

Spontaneous polarization and inversion symmetry breaking in ferroelectric materials lead to their use as photovoltaic devices. However, further advancement of their applications are hindered by the paucity of ways of reducing bandgaps and enhancing photocurrent. By unravelling the correlation between ferroelectric materials' responses to solar irradiation and their local structure and electric ...

Enhancement of ferroelectric properties, both spontaneous polarization and Curie temperature under negative pressure had been predicted in the past from first principles and recently confirmed experimentally. In contrast, piezoelectric properties are expected to increase by positive pressure, through polarization rotation. Here we investigate the piezoelectric response of the classical PbTiO3, ...

With an increasing demand for self-powered microelectronics to be used in scientific tasks and exploration missions extreme environments, the implementation of piezoelectric energy harvesting at high temperature is important research focus renewable sources. Piezoelectric composites made from ceramic fillers polymer matrices combine electromechanical coupling with flexibility, resulting a versa...