Non-linear dielectric spectroscopy for detecting and evaluating structure-property relations in a P(VDF-TrFE-CFE) relaxor-ferroelectric terpolymer

Non-linear dielectric spectroscopy (NLDS) is employed as an effective tool to study relaxation processes and phase transitions of a poly(vinylidenefluoride-trifluoroethylene-chlorofluoroethylene) (P(VDF-TrFE-CFE)) relaxor-ferroelectric (R-F) terpolymer in detail. Measurements of the non-linear dielectric permittivity $${\varepsilon _{2}^{'}}$$ ε 2 ′ reveal peaks at 30 and 80$$\,^\circ$$ ∘ C that cannot be identified in conventional dielectric spectroscopy. By combining the results from NLDS experiments with those from other techniques such as thermally stimulated depolarization and dielectric-hysteresis studies, it is possible to explain the processes behind the additional peaks. The former peak, which is associated with the mid-temperature transition, is found in all other vinylidene fluoride-based polymers and may help to understand the non-zero $$\varepsilon _\mathrm {2}^{'}$$ ε 2 ′ values that are detected on the paraelectric phase of the terpolymer. The latter peak can also be observed during cooling of P(VDF-TrFE) copolymer samples at 100$$\,^\circ$$ ∘ C and is due to conduction and space-charge polarization as a result of the accumulation of real charges at the electrode–sample interface.

Vibrational Analysis of Paraelectric–Ferroelectric Transition of LiNbO3: An Ab-Initio Quantum Mechanical Treatment

The phase transitions between paraelectric (PE) and ferroelectric (FE) isomorph phases of LiNbO3 have been investigated quantum mechanically by using a Gaussian-type basis set, the B3LYP hybrid functional and the CRYSTAL17 code. The structural, electronic and vibrational properties of the two phases are analyzed. The vibrational frequencies evaluated at the Γ point indicate that the paraelectric phase is unstable, with a complex saddle point with four negative eigenvalues. The energy scan of the A2u mode at −215 cm−1 (i215) shows a dumbbell potential with two symmetric minima. The isotopic substitution, performed on the Li and Nb atoms, allows interpretation of the nontrivial mechanism of the phase transition. The ferroelectric phase is more stable than the paraelectric one by 0.32 eV.

A combinatory ferroelectric compound bridging simple ABO3 and A-site-ordered quadruple perovskite

The simple ABO3 and A-site-ordered AA′3B4O12 perovskites represent two types of classical perovskite functional materials. There are well-known simple perovskites with ferroelectric properties, while there is still no report of ferroelectricity due to symmetry breaking transition in A-site-ordered quadruple perovskites. Here we report the high pressure synthesis of an A-site-ordered perovskite PbHg3Ti4O12, the only known quadruple perovskite that transforms from high-temperature centrosymmetric paraelectric phase to low-temperature non-centrosymmetric ferroelectric phase. The coordination chemistry of Hg2+ is changed from square planar as in typical A-site-ordered quadruple perovskite to a rare stereo type with 8 ligands in PbHg3Ti4O12. Thus PbHg3Ti4O12 appears to be a combinatory link from simple ABO3 perovskites to A-site-ordered AA′3Ti4O12 perovskites, sharing both displacive ferroelectricity with former and structure coordination with latter. This is the only example so far showing ferroelectricity due to symmetry breaking phase transition in AA′3B4O12-type A-site-ordered perovskites, and opens a direction to search for ferroelectric materials.

The dielectric and polarization behavior of polyurethane-based polycarbonate diols with different content levels of fluorinated hard segments

The addition of a fluorinated chain improved the polarization in polyurethane, shifted the relaxation peaks, and changed the hysteresis loop behavior from a ferroelectric to a paraelectric phase.