Crystal structure change with the temperature was investigated for 3 m-thick (100)/(001)-oriented epitaxial PbTiO3 films grown on SrTiO3 substrates. Complex strain-relaxed domain structure labeled as Type III was observed and directly transformed to the cubic phase at about 490°C. This transition temperature and the lattice parameter (a and c- axes) change with the temperature well agreed with the reported data for the PbTiO3 powders. The volume fraction of the (001) orientations, Vc, was almost independent of the temperature up to the phase transition temperature. The tilting angles of the spots in XRD plan view were almost the same with the estimated ones from the lattice parameters and the Vc. This suggests that the angle of the domains identified by the domain structure in Type III. This structure is mainly determined by the tetragonality, (c/a ratio) and the Vc.

We perform first-principles finite-electric field simulations of PbTiO3 both at zero and high pressures to investigate the effect of pressure on polarization rotation. We find that whereas a large electric field is required at zero pressure to induce a phase transition from the tetragonal (P4mm) phase to the rhombohedral (R3m) phase, at 8GPa a relatively small electric field is required indicating the greater ease of polarization rotation at high pressure. Pressure reduces the relative well depth between the two phases leading to a softer free-energy surface. This explains the increased electro-mechanical coupling obtained in PbTiO3 with pressure.

Ferroelectric Bi1.1Fe0.9Co0.1O3 (BFCO) thin films were prepared on Pt/TiO2/SiO2/Si substrates by chemical solution deposition method using rapid thermal annealing (RTA). The thickness of all BFCO thin films is about 100 nm. Although the BFCO prepared at 545°C has a large value of difference of polarization at zero field, 88 C/cm2, the P-E hysteresis loop of the BFCO thin film prepared at 520°C looks like more saturated and shows 47 C/cm2 of difference of polarization at zero field in the applied electric field of 2 MV/cm. The leakage current of the BFCO film annealed at 520°C, is about 2 × 10-2 A/cm2 at room temperature (RT). Moreover, it is also shown that the saturated possibility of P-E hysteresis loops and in 2 MV/cm their apparent difference of polarization at zero field depend on not only the leakage current but also scanning frequency used to measure BFCO thin films. Accordingly, the P-E hysteresis loops of BFCO thin films prepared from 520°C to 545°C seem to be saturated at high frequency from 10 KHz to 20 KHz when these samples are measured at RT.

In this work, Ba0.6Sr0.4TiO3(BST) thin films were deposited on Ti substrates using conductive La0.5Sr0.5CoO3 (LCSO) as buffer layers. Both BST and LSCO films were prepared by sol-gel methods. The structure and morphology of BST and LSCO films were analyzed by X-ray diffraction (XRD). XRD results show that both BST and LSCO films have perovskite structure with random orientation. The dielectric properties of BST films were dependent on the thickness of LSCO buffer layers. Upon using LSCO buffer layers, the dielectric properties of BST films were significantly improved. The dielectric constant, tunability, and dielectric loss of BST thin films for LSCO of 150 nm achieved about 453, 0.032 and 31.26% respectively.

Atomistic and electronic structures of PbTiO3 nanowires with atomically sharp edges consisting of (100)/(010) surfaces using first-principles calculations. Ferroelectricity is enhanced at the PbO-terminated edge in the nanowire because the Pb-O covalent bond that predominates the ferroelectric distortions is partially strengthened. On the other hand, a significant suppression is observed in the TiO2-terminated nanowire. Surprisingly, the smallest (one-unit-cell cross- section) PbO-terminated nanowire can keep ferroelectricity, while ferroelectricity disappears in the TiO2-terminated nanowires with a diameter of smaller than 17 Å. The ferroelectricity is recovered by axial tension, where the thinner nanowire requires the higher critical strain.

Pyroelectric infrared (IR) detectors based on perovskite oxides are of interest in part because of their lack of need for cooling, which makes them relatively more affordable and operationally simpler than cooled photon detector systems. We are investigating two methods for low-cost growth of perovskite oxide thin films, namely, a bio-inspired, low-temperature synthesis method and a modified industry-standard metalorganic solution deposition (MOSD) method. Subsequent to film synthesis, we utilize direct-write laser phase conversion and micro-electro-mechanical systems (MEMS) fabrication for development of an uncooled IR focal plane array (FPA). Film growth, crystallization and MEMS processes are compatible with monolithic integration of the detector pixels directly onto Si readout integrated circuits (ROICs).

Growth of polycrystalline Lutetium Iron Oxide via pulsed laser deposition in thin film form is reported for the first time herein, and the multiferroic LuFe2O4 phase is stabilized. Fluence and pressure dependent phase growth is demonstrated, along with crystalline structure in vacuum (˜10-5 torr) conditions. Thermodynamic considerations at the laser-target interaction were investigated, as well as at the plume-substrate interface, which reveal that the necessary Gibbs free energy is available in the optimized growth environment to allow formation of the LuFe2O4 polycrystalline phase. The resulting growth rate is found to be related to the Gibbs free energy and concentration of nucleation sites on the substrate. Characterization of the multiferroic aspect of LuFe2O4 entailed direct measurement of the ferroelectricity in the thin film, as well as magnetic behavior, both at various temperatures. In particular, the ferroelectric polarization vs. voltage data yield values of 0.61 μC/cm2 at 300 K to 3.29 μC/cm2 at 183 K; moreover, these data are in agreement with those reported in the literature. Magnetization vs. applied field data shows the magnetization at 300 K to be 180 emu/cm3 and increasing to 200 emu/cm3 at 10 K.

The alkali niobate ferroelectrics ((K0.5Na0.5)NbO3, KNN) are promising candidates as alternatives for PZT (Pb(ZrxTi(1-x))O3) ceramics in piezoelectric technologies. In order to obtain dense compounds with desirable properties, CuO has been used as sintering aid. In this work, the defect chemistry of Cu2+ doped KNN was investigated by means of electron paramagnetic resonance (EPR). Copper is found to be incorporated as acceptor-type centers on B-site in the perovskite structure and, due to charge compensation, two kinds of mutually compensating defect dipoles are formed.