A design approach to ferroelectric materials critically depends on an accurate description of the microscopic features associated with paraelectric-to-ferroelectric phase transitions. The fine structures of domains, domain walls, and domain boundary dynamics as well as a precise understanding of local atomic displacements can be accessed using adequate potential models based on ab initio calculations and advanced molecular dynamics simulations. For BaTiO3 a complex scenario of microscopic domains in the paraelectric (cubic) phase and in the ferroelectric (tetragonal) phase is obtained. Therein, the static and dynamic role of domain/antidomain features, as well as their dependence on Ti displacements around the <111> manifold is clearly emerging.

Highly oriented strontium titanate (STO) thin films were successfully deposited on sapphire substrates using a sol-gel method. Sintering temperature of 1400°C and the use of c-cut sapphire for the substrates are the keys to obtain highly oriented thin films. The sample obtained on c-cut sapphire with a sintering temperature of 1400°C showed quite high (111)-orientation and a narrow full width half maximum (FWHM) value of 0.265°, which indicates a high quality deposition of the STO thin films.

We believe this high quality STO deposition technique will bring a new scope of oxide material applications for future electronic devices.

In this paper, phase separation and crystal structure of (x) La0.625Sr0.375MnO3 − (1-x) LuMnO3 system (LSMO-LMO), and (1-x) La0.9Ca0.1MnO3-(x) LuMnO3 system (LCMO-LMO) were studied by XRD and SEM. The results confirm that there are solid solutions in both of these two systems. There is a solid solution of monoclinic phase of space group P1121/a for x=0.980∼1.0 in LSMO-LMO system. There is a solid solution of hexagonal phase of space group P63cm for x=0.0∼0.24 in LCMO-LMO. Selected compositions were tested in terms of their magnetization, dielectric constant and ferroelectric properties at low temperatures.

(Pb0.35Sr0.65)(Zr0.5Ti0.5)O3 thin films were grown on Pt/ZrO2/SiO2/Si substrates by chemical solution deposition. As-deposited (pyrolysed at 500°C) films were amorphous and single phase films were obtained at temperature as low as 550°C with a 30 nm SrTiO3 seed layer. Dielectric constant and loss tangent at room temperature were 210 and 0.022, respectively at 100 kHz for the film annealed at 700°C. Frequency dispersion of the dielectric properties was low. The phase transition temperature (ferroelectric to paraelectric) was well below the room temperature and was around 220 K. The room temperature tunability and the k-factor at 500 kV/cm was around 45% and 16, respectively.

Bi-layer-structured mutiferroic Bi5Ti3FeO15 (BTFO15) (m = 4) and natural-superlattice-structured Bi4Ti3O12- Bi5Ti3FeO15 (BIT-BTFO15) (m = 3-4) thin films have been prepared on (001) and (110) oriented SrTiO3 (STO) single crystal substrates by using pulsed laser deposition. X-ray diffraction patterns of these thin films on (00l) STO single crystals shows the obtained thin films were (00l)-oriented layer-perovskite single phase, and BIT-BTFO15 (m = 3-4) natural-superlattice-structure has also obtained. On (110) STO single crystal, layer perovskite (11l) oriented thin films have been also obtained. For characterizing ferroelectric properties, these thin films have been prepared on (001) and (110) oriented La-doped (3.73 wt%) STO single crystal substrates. From ferroelectric D-E hysteresis loops measurements, BTFO15 (m = 4) and BIT-BTFO (m = 3-4) thin films on (110) La-doped STO single crystals shows good ferroelectric hysteresis loops and their double remanent polarizations (2Pr) were 47 μC/cm2 and 44 μC/cm2, respectively. However, these thin films on (001) La-doped STO single crystals do not show ferroelectric characteristics.

It is well known that by changing the temperature for the polarized hemimorphy single crystal, such as LiNbO3 or BaTiO3, the electric field with high intensity is generated and then atmospheric gas atoms or molecules around the crystal are ionized. Using these phenomena, X-rays could be radiated by the bremsstrahlung radiation of electrons in low pressure [1,2]. However, this method has some disadvantages. For example, it is difficult to maintain the intensity of X-rays for a long term. The gas pressure range, where the intensity of X-rays is high, is narrow. The purpose of this study is to increase the intensity of X-rays in a high vacuum. In a low vacuum, positive charges generated by the ionization of gas molecules near the crystal weaken the electric field strength. Consequently, the intensity of X-rays also becomes weak. On the other hand, in a high vacuum, the number of electrons decreases. Thus, thermally emitted electrons are supplied to the X-rays radiation system in high vacuum to increase and stabilize the intensity of X-rays.

The -z plane of the congruent LiNbO3 single crystal polarized in the z-axis direction of a 5 mm thickness and a 10 mm diameter was opposed to the Cu target of a 10 μm thickness placed at a distance of 21 mm from the –z plane in the gas pressure of 10-2-10-4 Pa. The temperature of crystal was changed between from -5 to 75 °C using Peltiert device. The temperature history of the crystal consists of a repetition of a series of the increasing and decreasing processes with the same period. Filament of thorium-added-tungsten as a thermal electrons source was placed at a distance of approximately 20 mm from the crystal side edge. DC current flowing in the filament was adjusted from 0 to 4 A.

In the increasing process of the temperature, the characteristic X-ray of Nb was radiated. This result indicates that the sign of net charge on -z plane of the crystal is positive. Because thermally emitted electrons are supplied to the positively charged –z plane, the electric field strength generated by the crystal is very low. Thus, the intensity of characteristic X-ray of Nb is low. On the other hand, in the decreasing process of the temperature, the characteristic X-ray of Cu was radiated. At the pressure of approximately 10-2 Pa and the filament current of 2.5 A, the intensity of X-rays showed the local maximum. If electrons are supplied more, synthetic electric field strength is weakened by the electric field made by the electron. The intensity of X-rays using thermal electron source was ten or more times higher at the maximum than that without the source and was almost comparable as the case of a low vacuum or more than it. Using thermal electron source, the intensity of X-rays increased with decreasing the pressure down to approximately 10-2 Pa and became constant at lower pressure.

Role of SrTiO3 seed layer on low-temperature crystallization of Pb(Zr, Ti)O3 (PZT) film was investigated. The SrTiO3 seeds were prepared by pulsed laser deposition (PLD) with the temperature range of 400-600 °C and PZT films were prepared by thermal MOCVD. The pyrochlore free PZT films can be successfully crystallized at around 340 °C on SrTiO3 seed layers by thermal MOCVD. It was found that the role of SrTiO3 seed layer is not only pyrochlore suppression but also perovskite promotion. It is also considered that crystallinity, surface coverage and seed layer thickness are important parameters for low-temperature crystallization and electrical properties of PZT films.

Homoepitaxial SrTiO3 thin films were grown on SrTiO3 (001) using Pulsed Laser Deposition (PLD). The deposition process was monitored in-situ, via both x-ray reflectivity and surface diffuse x-ray scattering measurements in the G3 experimental station at the Cornell High Energy Synchrotron Source (CHESS). Using a CCD detector in 1D, or streak-camera, mode with approximately 0.3-second time resolution, data were collected during growths performed at two substrate temperatures: 695°C and 1000°C. While the specular reflectivity oscillations for the two growths are very similar, the diffuse scattering clearly shows a distinct change in the peak position. Using Atomic Force Microscopy (AFM), we illustrate how the peak position for the diffuse lobes of scattered intensity is directly related to the distribution of single unit cell high islands on the growing surface. Thus, the peak shift of the diffuse scattering indicates an order of magnitude change in the island density.

Pb(ZrxTi1−x)O3 (PZT) films were grown by molecular beam epitaxy using hydrogen peroxide as a source of reactive oxygen. Phase composition as well as structural and electrical properties of the films were studied by x-ray diffractometry, scanning and transmission electron microscopy, conductive atomic force microscopy, and electrical (I-V and polarization-field) measurements. The hydrogen peroxide pressure was found to control the phase composition of the films. Excess peroxide leads to PbO inclusions in PZT layers, whereas deficiency results in the TiO2 or the ZrO2 phase. The second-phase inclusions can be responsible for high leakage current in the films. Precise control over the peroxide pressure is imperative for single-phase PZT films with good ferroelectric properties.

Chromium impurities in SrTiO3 grown by Verneuil and Float-zone methods were investigated using photo-electron paramagnetic resonance spectroscopy. The samples are the substrates typically used for deposition of multifunctional and ferromagnetic films. A maximum optical cross section for Cr3+ of 2.6×10−18 cm2 is obtained from the time-dependent data, and steady state measurements suggest the presence of a defect level 2 eV from one of the band edges. The cross section is similar to that obtained from optical absorption studies of Cr3+ in semiconductors. The results produced here should be useful for those trying to interpret photoluminescence or similar optical characterization data.

Highly (100)-oriented Mn-doped barium strontium stannate titanate thin films of a nominal composition (Ba0.7Sr0.3)(Sn0.2Ti0.8-xMnx)O3 (Mn-BSSnT) (x=0%, 0.2%, 0.4%, 0.6% and 1%), were fabricated by pulsed laser deposition on (La0.7Sr0.3)O3/LaAlO3 substrates. Both elastic strain and inhomogeneous strain were measured by x-ray diffraction techniques. Relationship between the strain and the dielectric properties of the Mn-BSSnT thin films were systematically investigated as a function of the Mn content. Our results show that the tunability is dependent upon not only the elastic strain induced by thermal expansion coefficient and lattice mismatch between the thin film and the substrate but also inhomogeneous strain induced by Mn doping. The tunability decreases with increasing inhomogeneous strain and can be easily manipulated by changing Mn doping content, which is beneficial to real tunable device applications.

BaTiO3/SrTiO3(001) epitaxial thin films were prepared at various growth rates by pulsed laser deposition, and their heterostructures were evaluated by synchrotron x-ray diffraction measurements and cross-sectional scanning transmission electron microscopy observations. In a film grown at a low deposition rate (0.01 nm/s), misfit dislocations are found near the interface and a fully relaxed BaTiO3 thin film grows epitaxially on the substrate. On the other hand, a film grown at a high deposition rate (0.04 nm/s) consists of strained and relaxed BaTiO3 lattices. Our results showed that the critical thickness of BaTiO3/SrTiO3(001) epitaxial thin films can be controlled by the deposition rate and that the critical thickness increases with increasing the deposition rate, and by adjusting the deposition rate we were able to prepare epitaxial thin films consisting of fully strained BaTiO3, partially strained BaTiO3 or fully relaxed BaTiO3. We have also achieved the growth controlling of BaTiO3 thin films on SrTiO3(001) substrates with SrRuO3 bottom electrode layer.

Crystal structure of epitaxially grown (100)/(100)-oriented PbTiO3 films on (100)SrTiO3 substrates with 3.8 μm in thickness was investigated by the XRD reciprocal space mapping techniques. The observed poles of PbTiO3 004, 400, 204, 402 and 420 scans can be successfully explained using the model consisting with the one type of (001) domain and three types of (100) domains in good agreement with the estimation from the scanning probe microscopy in conjunction with the in-plane and out-of plain XRD analysis.

Cr, Mn, Co, Ni and Cu of 5 at % s added BiFeO3 films were fabricated by chemical solution deposition on 111-textured Pt/Ti/SiO2/Si(100) substrates. Only the diffraction peaks attributed to BiFeO3 structure could obtain except the Ni and Cr additions. The BiFeO3 films became almost amorphous by adding Ni, and non ferroelectric Bi7CrO12.5 phase was formed by adding Cr. AFM images indicated the surface morphology of the films was drastically changed by the additives. The leakage current was reduced by adding Mn, Cu and Co, although the electric coercive field increased in the case of Co addition. Therefore, it could be concluded that Mn and Cu additives improved not only the leakage current properties but also the ferroelectric properties in the course of CSD process. It should be noted that this is the first report showing the improvement of ferroelectricity of BiFeO3 films by adding Cu.

High-throughput synthesis of the ferroelectric solid solution Pb(Zr1−xTix)O3 (PZT) on single Pt/Ti/SiO2/Si substrates was demonstrated using a modified molecular beam epitaxy (MBE) system. The PZT films exhibited a phase transition from rhombohehdral (R) to tetragonal (T) symmetry as a function of Zr:Ti ratio, across the substrate diagonal. This was consistent with the presence of a morphotropic phase boundary (MPB) at a Zr:Ti ratio of 0.64:0.36, different from the value of 0.53:0.47 observed for bulk ceramics. All points on the films exhibited ferroelectric hysteresis loops. The results demonstrate the feasibility of high-throughput MBE for deposition of complex ferroelectric oxides, and pave the way for further materials discovery, in particular Pb-free piezoceramics.

An Influence of stress of crystal structure of polycrystalline BiFeO3 (BFO) thin film on membrane structure has been investigated. To confirm the stress dependence of the crystal structure, reciprocal space mapping measurement of polycrystalline BFO thin films on Pt (200 nm)/TiO2 (50 nm)/SiO2 (600 nm)/Si (625 μm) plate substrate and Pt (200 nm)/TiO2 (50 nm)/SiO2 (600 nm)/Si (15 μm) membrane substrate have been performed. These BFO thin films have been prepared by pulsed laser deposition (PLD). The obtained BFO thin films were polycrystalline and mainly oriented to (001) and (110) plane. From reciprocal space mapping measurement, (110) oriented BFO grains on Pt/TiO2/SiO2/Si (15 μm) membrane substrate were expanded perpendicularly to the film plane about 0.15% and compressed in parallel to the film plane about 0.7% comparing to that on Pt/TiO2/SiO2/Si (625 μm) plate substrate. And (001) oriented BFO grains on the Pt/TiO2/SiO2/Si membrane substrate were expanded about 0.20% perpendicularly to the film plane and compressed about 1.3% in parallel to the film plane comparing to that on Pt/TiO2/SiO2/Si (625 μm) plate substrat

The MEMS (micro-electro-mechanical systems) microphone enables the manufacturing of small mechanical components on the surface of a silicon wafer. The MEMS microphones are less susceptible to vibration because of the smaller diaphragm mass and an excellent candidate for chip-scale packaging. In this paper, we present a piezoelectric MEMS microphone based on (1-x)Pb(Mg1/3Nb2/3)O3-xPbTiO3 (PMN-PT) single crystal diaphragm. The PMN-PT materials exhibit extremely high piezoelectric coefficients and other desirable properties for an acoustic sensor. The piezoelectric-based microphone can offer the ability to passively sense without the power requirements. In particular, this paper introduces the design of a PMN-PT single crystal diaphragm with interdigitated electrode. We were able to fabricate miniaturized PMN-PT single crystal diaphragms. The fabricated sensor exhibits the sensitivity of 1.5mV/Pa. This implies that the PMN-PT thin film microphone has a potential of excellent acoustic characteristics.

Investigation of crystal structure, magnetic and local ferroelectric properties of the diamagnetically-doped Bi1−xAxFeO3 (A= Ca, Sr, Pb, Ba; x= 0.2, 0.3) ceramic samples has been carried out. It has been shown that the solid solutions have a rhombohedrally distorted perovskite structure described by the space group R3c. Piezoresponse force microscopy data have revealed the existence of the spontaneous ferroelectric polarization in the samples at room temperature. Magnetization measurements have shown that the magnetic state of these compounds is determined by the ionic radius of the substituting elements. A-site substitution with the biggest ionic radius ions has been found to suppress the spiral spin structure of BiFeO3 and to result in the appearance of weak ferromagnetism. The magnetic properties have been discussed in terms of doping- induced changes in the magnetic anisotropy.

In this paper, we demonstrated that Lead Zirconate Titanate (PZT) nanofibers can be used to harvest energy from dynamic loading and mechanical vibration. PZT nanofibers were fabricated by electrospinning process. SEM image of PZT nanofibers has shown that the average diameter of these fibers is about 150nm, which can be tuned from 50nm to 200 nm by varying the composition and viscosity of the precursor for electrospining. Titanium substrate with ZrO2 layer was used to collect the PZT nanofibers for the demonstration of energy harvesting from dynamic loading. The largest output voltage is 170mV under 0.5% strain; the frequency of the output voltage is the same as that of the input loading. Silicon substrate with trenches was used to collect the nanofibers for energy harvesting from vibration. The output voltage generated from 150Hz sinusoid vibration source has peak voltages of 64.9mV and -95.9mV. These experimental results suggest that PZT nanofibers have great potentials for energy harvesting from environments and being used as nanogenerators. Further study is under the way to optimize the design and improve the efficiency.

The phenomenon that a ferroelectrics crystal carries out intrinsic polarization by the temperature change generally is known. The Ozone gas generation was investigated due to a strong electric field of this crystal under atmospheric pressure . When we added a rapid temperature change to the crystal, the charge non–equilibrium occurs around the crystal. Oxygen is influenced due to the non-equilibrium in charge and ozone is considered to be generated. Therefore, we used the high electric field induced due to the polarization of a ferroelectrics crystal in order to produce the ozone under atmospheric pressure.

As a result, we were able to produce ozone of the density of 400ppb in a oxygen gas flow of 1.5 liters per minute using this simple system: The crystals (Yamaju Co. Ltd. and Sumitomo metal mining Co. Ltd.) are used in thickness of 3, 5, 7, 10, 20, and 30 mm with a diameter of 4 inches, respectively. They are poled crystals.

Experiments on the maximum temperature (300 degree), the temperature gradient (100 degree/10 minite), and substrate materials(Cu and Al), the thickness of the crystal, and z face etc. were carried out during the temperature of LiTaO3 single crystal from 20C to about 300C. It is found that the amount of the ozone production increases rapidly, when the maximum temperature of LiTaO3 single crystal is raised and have a relation with the thickness of the crystal. However, the amount of the ozone production doesn't closely related with the X-ray generation that we use the crystal for.

In the present study, when the thickness of the crystal became large, polarization voltage became high, but generated efficiency of ozone was not necessarily proportional to thickness.