Octonary resistance states in La 0.7Sr 0.3MnO 3/BaTiO 3/La 0.7Sr 0.3MnO 3 multiferroic tunnel junctions

DOE PAGES

Yue -Wei Yin; Tao, Jing; Huang, Wei -Chuan; ...

2015-10-06

General drawbacks of current electronic/spintronic devices are high power consumption and low density storage. A multiferroic tunnel junction (MFTJ), employing a ferroelectric barrier layer sandwiched between two ferromagnetic layers, presents four resistance states in a single device and therefore provides an alternative way to achieve high density memories. Here, an MFTJ device with eight nonvolatile resistance states by further integrating the design of noncollinear magnetization alignments between the ferromagnetic layers is demonstrated. Through the angle-resolved tunneling magnetoresistance investigations on La 0.7Sr 0.3MnO 3/BaTiO 3/La 0.7Sr 0.3MnO 3 junctions, it is found that, besides collinear parallel/antiparallel magnetic configurations, the MFTJ showsmore » at least two other stable noncollinear (45° and 90°) magnetic configurations. As a result, combining the tunneling electroresistance effect caused by the ferroelectricity reversal of the BaTiO 3 barrier, an octonary memory device is obtained, representing potential applications in high density nonvolatile storage in the future.« less

Numerical calculations of temperature dependence of dielectric constant for an ordered assembly of BaTiO3 nanocubes with small tilt angles

NASA Astrophysics Data System (ADS)

Yasui, Kyuichi; Mimura, Ken-ichi; Izu, Noriya; Kato, Kazumi

2018-03-01

The dielectric constant of an ordered assembly of BaTiO3 nanocubes is numerically calculated as a function of temperature assuming a distribution of tilt angles of attached nanocubes. As the phase transition temperature from the tetragonal crystal structure to the cubic crystal structure of a BaTiO3 nanocube decreases as the tilt angle increases, the temperature at the peak of the dielectric constant of an ordered assembly is considerably lower than the Curie temperature of a free-standing BaTiO3 crystal. The peak of the dielectric constant as a function of temperature for an ordered assembly becomes considerably broader than that for a single crystal owing to the contribution of nanocubes with various tilt angles.

Fabrication and characterization of lead-free BaTiO3 thin film for storage device applications

NASA Astrophysics Data System (ADS)

Sharma, Hakikat; Negi, N. S.

2018-05-01

The lead-free BaTiO3 (BT) thin film solution has been prepared by sol-gel method. The prepared solution spin coated on Pt/TiO2/SiO2/ Si substrate. The fabricated thin film was analyzed by XRD and Raman spectrometer for structural conformation. Uniformity of thin film was examined by Atomic force microscope (AFM). Thickness of the film was measured by cross sectional FESEM. Activation energies for both positive and negative biasing have been calculated from temperature dependent leakage current density as a function of electric field. For ferroelectric memory devices such as FRAM the hysteresis loop plays important role. Electric filed dependent polarization of BT thin film measured at different switching voltages. With increasing voltage maximum polarization increases.

Piezoelectric paper fabricated via nanostructured barium titanate functionalization of wood cellulose fibers.

PubMed

Mahadeva, Suresha K; Walus, Konrad; Stoeber, Boris

2014-05-28

We have successfully developed hybrid piezoelectric paper through fiber functionalization that involves anchoring nanostructured BaTiO3 into a stable matrix with wood cellulose fibers prior to the process of making paper sheets. This is realized by alternating immersion of wood fibers in a solution of poly(diallyldimethylammonium chloride) PDDA (+), followed by poly(sodium 4-styrenesulfonate) PSS (-), and once again in PDDA (+), resulting in the creation of a positively charged surface on the wood fibers. The treated wood fibers are then immersed in a BaTiO3 suspension, resulting in the attachment of BaTiO3 nanoparticles to the wood fibers due to a strong electrostatic interaction. Zeta potential measurements, X-ray diffraction, and microscopic and spectroscopic analysis imply successful functionalization of wood fibers with BaTiO3 nanoparticles without altering the hydrogen bonding and crystal structure of the wood fibers. The paper has the largest piezoelectric coefficient, d33 = 4.8 ± 0.4 pC N(-1), at the highest nanoparticle loading of 48 wt % BaTiO3. This newly developed piezoelectric hybrid paper is promising as a low-cost substrate to build sensing devices.

Density functional theory computational study of ferroelectricity and piezoelectricity in BaTiO3/PbTiO3 (0 1 1) superlattices

NASA Astrophysics Data System (ADS)

Lou, Yaoding; Deng, Junkai; Zhe Liu, Jefferson

2018-04-01

The structure, ferroelectricity (FE), and piezoelectricity of epitaxial BaTiO3/PbTiO3 (BTO/PTO) (0 1 1) superlattices are studied using density functional theory calculations. Our results show that compressive strain arising from the SrTiO3 (0 1 1) substrate stabilizes the (BTO) m /(PTO) n (0 1 1) superlattices in orthorhombic phase with the FE polarization along [0 1 1] direction. Tuning the BTO contents significantly changes the structural, ferroelectric and piezoelectric properties. The FE polarization of superlattices significantly drops with increasing BTO contents, which can be attributed to depolarization of the PTO layers. The averaged c/a ratio of the whole superlattices exhibits anomalous non-monotonic relation with respect to BTO contents. Interestingly, our results predict the (0 1 1) superlattices can enhance the piezoelectric coefficient e 33 with a maximum value at ~67% BTO concentration. This result suggests a potential avenue to design high performance piezoelectric materials with less Pb contents. In-depth analysis reveals the B-site Ti cation as the origin for the enhanced e 33 value, which implies the potential of B-site cation engineering in perovskite heterostructure designs.

Relating electronic and geometric structure of atomic layer deposited BaTiO 3 to its electrical properties

DOE PAGES

Torgersen, Jan; Acharya, Shinjita; Dadlani, Anup Lal; ...

2016-03-24

Atomic layer deposition allows the fabrication of BaTiO 3 (BTO) ultrathin films with tunable dielectric properties, which is a promising material for electronic and optical technology. Industrial applicability necessitates a better understanding of their atomic structure and corresponding properties. Through the use of element-specific X-ray absorption near edge structure (XANES) analysis, O K-edge of BTO as a function of cation composition and underlying substrate (RuO 2 and SiO 2) is revealed. By employing density functional theory and multiple scattering simulations, we analyze the distortions in BTO’s bonding environment captured by the XANES spectra. The spectral weight shifts to lower energymore » with increasing Ti content and provides an atomic scale (microscopic) explanation for the increase in leakage current density. Differences in film morphologies in the first few layers near substrate–film interfaces reveal BTO’s homogeneous growth on RuO 2 and its distorted growth on SiO 2. As a result, this work links structural changes to BTO thin-film properties and provides insight necessary for optimizing future BTO and other ternary metal oxide-based thin-film devices.« less

A review of molecular beam epitaxy of ferroelectric BaTiO3 films on Si, Ge and GaAs substrates and their applications

PubMed Central

Mazet, Lucie; Yang, Sang Mo; Kalinin, Sergei V; Schamm-Chardon, Sylvie; Dubourdieu, Catherine

2015-01-01

SrTiO3 epitaxial growth by molecular beam epitaxy (MBE) on silicon has opened up the route to the monolithic integration of various complex oxides on the complementary metal-oxide–semiconductor silicon platform. Among functional oxides, ferroelectric perovskite oxides offer promising perspectives to improve or add functionalities on-chip. We review the growth by MBE of the ferroelectric compound BaTiO3 on silicon (Si), germanium (Ge) and gallium arsenide (GaAs) and we discuss the film properties in terms of crystalline structure, microstructure and ferroelectricity. Finally, we review the last developments in two areas of interest for the applications of BaTiO3 films on silicon, namely integrated photonics, which benefits from the large Pockels effect of BaTiO3, and low power logic devices, which may benefit from the negative capacitance of the ferroelectric. PMID:27877816

Effects of vacancies on atom displacement threshold energy calculations through Molecular Dynamics Methods in BaTiO3

NASA Astrophysics Data System (ADS)

Gonzalez Lazo, Eduardo; Cruz Inclán, Carlos M.; Rodríguez Rodríguez, Arturo; Guzmán Martínez, Fernando; Abreu Alfonso, Yamiel; Piñera Hernández, Ibrahin; Leyva Fabelo, Antonio

2017-09-01

A primary approach for evaluating the influence of point defects like vacancies on atom displacement threshold energies values Td in BaTiO3 is attempted. For this purpose Molecular Dynamics Methods, MD, were applied based on previous Td calculations on an ideal tetragonal crystalline structure. It is an important issue in achieving more realistic simulations of radiation damage effects in BaTiO3 ceramic materials. It also involves irradiated samples under severe radiation damage effects due to high fluency expositions. In addition to the above mentioned atom displacement events supported by a single primary knock-on atom, PKA, a new mechanism was introduced. It corresponds to the simultaneous excitation of two close primary knock-on atoms in BaTiO3, which might take place under a high flux irradiation. Therefore, two different BaTiO3 Td MD calculation trials were accomplished. Firstly, single PKA excitations in a defective BaTiO3 tetragonal crystalline structure, consisting in a 2×2×2 BaTiO3 perovskite like super cell, were considered. It contains vacancies on Ba and O atomic positions under the requirements of electrical charge balance. Alternatively, double PKA excitations in a perfect BaTiO3 tetragonal unit cell were also simulated. On this basis, the corresponding primary knock-on atom (PKA) defect formation probability functions were calculated at principal crystal directions, and compared with the previous one we calculated and reported at an ideal BaTiO3 tetrahedral crystal structure. As a general result, a diminution of Td values arises in present calculations in comparison with those calculated for single PKA excitation in an ideal BaTiO3 crystal structure.

Ferromagnetism in ferroelectric BaTiO3 induced by vacancies: Sensitive dependence on charge state, origin of magnetism, and temperature range of existence

NASA Astrophysics Data System (ADS)

Raeliarijaona, Aldo; Fu, Huaxiang

2017-10-01

Using density-functional calculations we investigate the possibility and underlying mechanism of generating ferromagnetism (FM) in ferroelectric BaTiO3 by native vacancies. For the same vacancy species but different charge states (e.g., VO0 vs VO2 +), our paper reveals a marked difference in magnetic behaviors. For instance, while VO0 is ferromagnetic, VO2 + is not. This sensitive dependence, which has often been overlooked, highlights the critical importance of taking into account different charge states. Furthermore, while oxygen vacancies have been often used in experiments to explain the vacancy-induced FM, our calculation demonstrates that Ti vacancies, in particular VTi3 - and VTi2 - with low formation energies, generate even stronger ferromagnetism in BaTiO3, with a magnetic moment which is 400% larger than that of VO0. Interestingly, this strong FM of VTi can be further enhanced by hole doping. Although both cation vacancies (VTiq) and anion vacancies (VO0) induce FM, their mechanisms differ drastically. FM of anion vacancies originates from the spin-polarized electrons at Ti sites, but FM of cation vacancies stems from the spin-polarized holes at O sites. This paper also sheds light on vacancy-induced FM by discovering that the spin densities of all three considered vacancy species are highly extended in real space, distributed far away from the vacancy. Moreover, we predict that the ferromagnetism caused by VTi3 - is able to survive at high temperatures, which is promising for room-temperature spintronic or multiferroic applications.

Barium titanate nanocrystals and nanocrystal thin films: Synthesis, ferroelectricity, and dielectric properties

NASA Astrophysics Data System (ADS)

Huang, Limin; Chen, Zhuoying; Wilson, James D.; Banerjee, Sarbajit; Robinson, Richard D.; Herman, Irving P.; Laibowitz, Robert; O'Brien, Stephen

2006-08-01

Advanced applications for high k dielectric and ferroelectric materials in the electronics industry continues to demand an understanding of the underlying physics in decreasing dimensions into the nanoscale. We report the synthesis, processing, and electrical characterization of thin (<100nm thick) nanostructured thin films of barium titanate (BaTiO3) built from uniform nanoparticles (<20nm in diameter). We introduce a form of processing as a step toward the ability to prepare textured films based on assembly of nanoparticles. Essential to this approach is an understanding of the nanoparticle as a building block, combined with an ability to integrate them into thin films that have uniform and characteristic electrical properties. Our method offers a versatile means of preparing BaTiO3 nanocrystals, which can be used as a basis for micropatterned or continuous BaTiO3 nanocrystal thin films. We observe the BaTiO3 nanocrystals crystallize with evidence of tetragonality. We investigated the preparation of well-isolated BaTiO3 nanocrystals smaller than 10nm with control over aggregation and crystal densities on various substrates such as Si, Si /SiO2, Si3N4/Si, and Pt-coated Si substrates. BaTiO3 nanocrystal thin films were then prepared, resulting in films with a uniform nanocrystalline grain texture. Electric field dependent polarization measurements show spontaneous polarization and hysteresis, indicating ferroelectric behavior for the BaTiO3 nanocrystalline films with grain sizes in the range of 10-30nm. Dielectric measurements of the films show dielectic constants in the range of 85-90 over the 1KHz -100KHz, with low loss. We present nanocrystals as initial building blocks for the preparation of thin films which exhibit highly uniform nanostructured texture and grain sizes.

Synthesis, structural, characterization and dielectric spectroscopy of PVDF - BaTiO3 polymer composite

NASA Astrophysics Data System (ADS)

Kulkarni, S. S.; Belavi, P. B.; Khadke, U. V.

2018-05-01

In this paper we report the method of synthesis of ferroelectric polymer Polyvinyldene fluoride (PVDF) and Barium Titanate (BaTiO3) composite self supporting thin films and its dielectric response. BaTiO3 was synthesized by solid state reaction method. The PVDF - BaTiO3 polymer composites with various concentrations were synthesized by solution mixing method using Dimethylformadide (DMF) as a solvent. The phase transformation and surface methodology of the prepared composites were characterized by X-ray diffraction (XRD) and Scanning Electron Microscopy (SEM) respectively. The XRD pattern confirms the formation of tetragonal pervoskite structure of ferroelectric phase. The XRD pattern shows the proper mixing of BaTiO3 particles intestinally and found to be improving its crystallinity with increase of BaTiO3 composition in the PVDF matrix. The dielectric properties of the composites as a function of frequency were computed using impedance analyzer. The dielectric constant decreases with increase of frequency shows the Maxwell - Wagner type of interfacial polarization in accordance with Koop's phenomenological theory.

Difference between resistance degradation of fixed valence acceptor (Mg) and variable valence acceptor (Mn)-doped BaTiO3 ceramics

NASA Astrophysics Data System (ADS)

Yoon, Seok-Hyun; Randall, Clive A.; Hur, Kang-Heon

2010-09-01

The difference in the resistance degradation behavior was investigated between fixed valence acceptor (Mg) and the variable valence acceptor (Mn)-doped BaTiO3 ceramics with an increase of each acceptor concentration. Coarse-grained specimens with uniform grain sizes and different acceptor concentrations were prepared. In the case of Mg-doped BaTiO3, the time to degradation systematically decreased with the increase in Mg concentration. In contrast, there is a systematically increased time to degradation with the increase in Mn concentration in Mn-doped BaTiO3. The fast degradation by the increase in Mg concentration directly corresponded to an increase in the Warburg impedance and ionic transference number (tion) associated with an increase in oxygen vacancy concentration ([VO••]). On the other hand, no distinct Warburg impedance or ionic conduction contribution could be observed with the increase in Mn concentration. It is supposed that the increase in [VO••] is negligible in spite of the increase in acceptor Mn concentration, when it is compared to Mg-doped BaTiO3. The much lower [VO••] and more dominant electron/hole trapping effect due to multivalence nature of Mn are supposed to cause such a contrary degradation behavior between Mg and Mn-doped BaTiO3. Reoxidation in a slightly reducing atmosphere (N2) showed better resistance to degradation behavior than in a oxidizing air atmosphere in both Mg and Mn-doped BaTiO3, which is anticipated to be an increase in the electron/hole trapping sites. All these behaviors could be explained by the low temperature defect chemical model that shows difference in the defect structure between Mg and Mn-doped BaTiO3, and its dependence on the oxygen partial pressure (pO2) during reoxidation and cooling. Not only the [VO••], but also the density of electron/hole trap sites, are believed to be crucial in controlling resistance degradation.

A review of molecular beam epitaxy of ferroelectric BaTiO 3 films on Si, Ge and GaAs substrates and their applications

DOE PAGES

Mazet, Lucie; Yang, Sang Mo; Kalinin, Sergei V.; ...

2015-06-30

SrTiO 3 epitaxial growth by molecular beam epitaxy (MBE) on silicon has opened up the route to the monolithic integration of various complex oxides on the complementary metal-oxide-semiconductor silicon platform. Among functional oxides, ferroelectric perovskite oxides offer promising perspectives to improve or add functionalities on-chip. We review the growth by MBE of the ferroelectric compound BaTiO 3 on silicon (Si), germanium (Ge) and gallium arsenide (GaAs) and we discuss the film properties in terms of crystalline structure, microstructure and ferroelectricity. Lastly, we review the last developments in two areas of interest for the applications of BaTiO 3 films on silicon,more » namely integrated photonics, which benefits from the large Pockels effect of BaTiO 3, and low power logic devices, which may benefit from the negative capacitance of the ferroelectric.« less

Influence of nanogold additives on phase formation, microstructure and dielectric properties of perovskite BaTiO3 ceramics

NASA Astrophysics Data System (ADS)

Nonkumwong, Jeeranan; Ananta, Supon; Srisombat, Laongnuan

2015-06-01

The formation of perovskite phase, microstructure and dielectric properties of nanogold-modified barium titanate (BaTiO3) ceramics was examined as a function of gold nanoparticle contents by employing a combination of X-ray diffraction, scanning electron microscopy, energy-dispersive X-ray, Archimedes principle and dielectric measurement techniques. These ceramics were fabricated from a simple mixed-oxide method. The amount of gold nanoparticles was found to be one of the key factors controlling densification, grain growth and dielectric response in BaTiO3 ceramics. It was found that under suitable amount of nanogold addition (4 mol%), highly dense perovskite BaTiO3 ceramics with homogeneous microstructures of refined grains (~0.5-3.1 μm) and excellence dielectric properties can be produced.

Thickness dependent charge transport in ferroelectric BaTiO3 heterojunctions

NASA Astrophysics Data System (ADS)

Singh, Pooja; Rout, P. K.; Singh, Manju; Rakshit, R. K.; Dogra, Anjana

2015-09-01

We have investigated the effect of ferroelectric barium titanate (BaTiO3) film thickness on the charge transport mechanism in pulsed laser deposited epitaxial metal-ferroelectric semiconductor junctions. The current (I)-voltage (V) measurements across the junctions comprising of 20-500 nm thick BaTiO3 and conducting bottom electrode (Nb: SrTiO3 substrate or La2/3Ca1/3MnO3 buffer layer) demonstrate the space charge limited conduction. Further analysis indicates a reduction in the ratio of free to trapped carriers with increasing thickness in spite of decreasing trap density. Such behaviour arises the deepening of the shallow trap levels (<0.65 eV) below conduction band with increasing thickness. Moreover, the observed hysteresis in I-V curves implies a bipolar resistive switching behaviour, which can be explained in terms of charge trapping and de-trapping process.

Highly piezoelectric BaTiO3 nanorod bundle arrays using epitaxially grown TiO2 nanomaterials.

PubMed

Jang, Seon-Min; Yang, Su Chul

2018-06-08

Low-dimensional piezoelectric nanostructures such as nanoparticles, nanotubes, nanowires, nanoribbons and nanosheets have been developed for potential applications as energy harvesters, tunable sensors, functional transducers and low-power actuators. In this study, lead-free BaTiO 3 nanorod bundle arrays (NBA) with highly piezoelectric properties were successfully synthesized on fluorine-doped tin oxide (FTO) substrate via a two-step process consisting of TiO 2 epitaxial growth and BaTiO 3 conversion. Through the TiO 2 epitaxial growth on FTO substrate, (001) oriented TiO 2 nanostructures formed vertically-aligned NBA with a bundle diameter of 80 nm and an aspect ratio of six. In particular, chemical etching of the TiO 2 NBA was conducted to enlarge the surface area for effective Ba 2+ ion diffusion during the perovskite conversion process from TiO 2 to BaTiO 3 . The final structure of perovskite BaTiO 3 NBA was found to exhibit a feasible piezoelectric response of 3.56 nm with a clear phase change of 180° from the single BaTiO 3 bundle, by point piezoelectric forced microscopy (PFM) analysis. Consequently, highly piezoelectric NBA could be a promising nanostructure for various nanoscale electronic devices.

Highly piezoelectric BaTiO3 nanorod bundle arrays using epitaxially grown TiO2 nanomaterials

NASA Astrophysics Data System (ADS)

Jang, Seon-Min; Yang, Su Chul

2018-06-01

Low-dimensional piezoelectric nanostructures such as nanoparticles, nanotubes, nanowires, nanoribbons and nanosheets have been developed for potential applications as energy harvesters, tunable sensors, functional transducers and low-power actuators. In this study, lead-free BaTiO 3 nanorod bundle arrays (NBA) with highly piezoelectric properties were successfully synthesized on fluorine-doped tin oxide (FTO) substrate via a two-step process consisting of TiO2 epitaxial growth and BaTiO3 conversion. Through the TiO2 epitaxial growth on FTO substrate, (001) oriented TiO2 nanostructures formed vertically-aligned NBA with a bundle diameter of 80 nm and an aspect ratio of six. In particular, chemical etching of the TiO2 NBA was conducted to enlarge the surface area for effective Ba2+ ion diffusion during the perovskite conversion process from TiO2 to BaTiO3. The final structure of perovskite BaTiO3 NBA was found to exhibit a feasible piezoelectric response of 3.56 nm with a clear phase change of 180° from the single BaTiO3 bundle, by point piezoelectric forced microscopy (PFM) analysis. Consequently, highly piezoelectric NBA could be a promising nanostructure for various nanoscale electronic devices.

Synthesis, Characterization, and Self-Controlled Orthorhombic to Tetragonal Polymorphic Transformation in BaTiO3 Nanoparticles

NASA Astrophysics Data System (ADS)

Ram, S.; Jana, A.; Kundu, T. K.

The phase formation and thermal-induced phase transformation are studied in BaTiO3 nanoparticles. 2 h of heating a polymer precursor at 550°C in air formed a single phase BaTiO3 of 15 nm average crystallite size D. The X-ray diffraction peaks are analyzed assuming a Pnma orthorhombic (o) crystal structure of lattice parameters a = 0.6435 nm, b = 0.5306 nm, and c = 0.8854 nm. The lattice volume V = 0.3023 nm3, with z = 4 formula units, yields a density ρ = 5.124 g/cm3. This is a new polymorph in comparison to well-known Pm3m tetragonal (t) structure, V = 0.0644 nm3 or ρ = 6.016 g/cm3 (z = 1). An o ↦ t transformation appears on heating at temperature as high as 650°C in air. A proposed model explains the transformation above a certain D value in terms of the Gibbs free energy. Unless heating above 750°C, the two phases coexist in a composite structure (D≤27 nm), with as much residual o-phase trace as ~28 vol%. As a function of temperature both the phases decrease in the V values up to 0.2975 and 0.0643 nm3 at 750°C respectively (0.0650 nm3 at 650°C). This is an important parameter for designing useful ferroelectric and other properties in a hybrid composite structure.

Magneto-optical properties of BaTiO3/La0.76Sr0.24MnO3/BaTiO3 heterostructures

NASA Astrophysics Data System (ADS)

Moog, M.; Singamaneni, S. R.; Prater, J. T.; Biegalski, M. D.; Tsui, F.

2018-05-01

The magnetic properties of epitaxial BaTiO3/La0.76Sr0.24MnO3/BaTiO3 (BTO/LSMO/BTO) heterostructures have been studied using magneto-optic Kerr effect (MOKE) technique. Both longitudinal and polar MOKE were probed as a function of magnetic field and temperature (in the range between 80 and 320 K) for epitaxial films of BTO/LSMO/BTO and LSMO grown on TiO2-terminated SrTiO3 (001) substrates by pulsed laser deposition technique. The LSMO film without the BTO layers exhibits nearly square field-dependent MOKE hysteresis loops with low saturation fields below a bulk-like Curie temperature (TC) of ˜ 350K. In contrast, the film with the BTO layers exhibits a significantly suppressed TC of 155 K, accompanied by significantly enhanced coercive fields and perpendicular magnetic anisotropy.

Tailoring the structure and thermoelectric properties of BaTiO3via Eu2+ substitution.

PubMed

Xiao, Xingxing; Widenmeyer, Marc; Xie, Wenjie; Zou, Tianhua; Yoon, Songhak; Scavini, Marco; Checchia, Stefano; Zhong, Zhicheng; Hansmann, Philipp; Kilper, Stefan; Kovalevsky, Andrei; Weidenkaff, Anke

2017-05-31

A series of Ba 1-x Eu x TiO 3-δ (0.1 ≤ x ≤ 0.9) phases with ∼40 nm particle size were synthesized via a Pechini method followed by annealing and sintering under a reducing atmosphere. The effects of Eu 2+ substitution on the BaTiO 3 crystal structure and the thermoelectric transport properties were systematically investigated. According to synchrotron X-ray diffraction data only cubic perovskite structures were observed. On the local scale below about 20 Å (equal to ∼5 unit cells) deviations from the cubic structure model (Pm3[combining macron]m) were detected by evaluation of the pair distribution function (PDF). These deviations cannot be explained by a simple symmetry breaking model like in EuTiO 3-δ . The best fit was achieved in the space group Amm2 allowing for a movement of Ti and Ba/Eu along 〈110〉 of the parent unit cell as observed for BaTiO 3 . Density functional calculations delivered an insight into the electronic structure of Ba 1-x Eu x TiO 3-δ . From the obtained density of states a significant reduction of the band gap by the presence of filled Eu 2+ 4f states at the top of the valence band was observed. The physical property measurements revealed that barium-europium titanates exhibit n-type semiconducting behavior and at high temperature the electrical conductivity strongly depended on the Eu 2+ content. Activation energies calculated from the electrical conductivity and Seebeck coefficient data indicate that at high temperatures (800 K < T < 1123 K) the conduction mechanism of Ba 1-x Eu x TiO 3-δ (0.1 ≤ x ≤ 0.9) is a polaron hopping when 0 < x ≤ 0.6 and is a thermally activated process when 0.6 < x < 1. Besides, the thermal conductivity increases with increasing Eu 2+ concentration. Due to a remarkable improvement of the power factor, Ba 0.1 Eu 0.9 TiO 3-δ showed a ZT value of 0.24 at 1123 K.

Thermoelectric properties of n and p-type cubic and tetragonal XTiO3 (X = Ba,Pb): A density functional theory study

NASA Astrophysics Data System (ADS)

Rahman, Gul; Rahman, Altaf Ur

2017-12-01

Thermoelectric properties of cubic (C) and tetragonal (T) BaTiO3 (BTO) and PbTiO3 (PTO) are investigated using density functional theory together with semiclassical Boltzmann's transport theory. Both electron and hole doped BTO and PTO are considered in 300-500 K temperature range. We observed that C-BTO has larger power factor(PF) when doped with holes, whereas n-type carrier concentration in C-PTO has larger PF. Comparing both BTO and PTO, C-PTO has larger figure of merit ZT. Tetragonal distortion reduces the Seebeck coefficient S in n-doped PTO, and the electronic structures revealed that such reduction in S is mainly caused by the increase in the optical band gaps (Γ - Γ and Γ-X).

Tuning the growth and strain relaxation of ferroelectric BaTiO3 thin films on SrRuO3 electrode: influence on electrical properties

NASA Astrophysics Data System (ADS)

Aidoud, Amina; Maroutian, Thomas; Matzen, Sylvia; Agnus, Guillaume; Amrani, Bouhalouane; Driss-Khodja, Kouider; Aubert, Pascal; Lecoeur, Philippe

2018-01-01

This study is focused on the link between the structural and electric properties of BaTiO3 thin films grown on SrRuO3-buffered (001) SrTiO3 substrates, SrRuO3 acting as bottom electrode. The growth regime and film structure are here tuned through the growth pressure for pulsed laser deposition in the 1-200 mTorr range. The dielectric, ferroelectric and leakage current properties are systematically measured for the different strain states of the BaTiO3 thin films on SrRuO3. The results are discussed with the help of ab initio calculations on the effects of Ba- and Ti-vacancies on BaTiO3 lattice parameters. A sharp increase of the dielectric constant is evidenced in the high pressure region, where the tetragonality of the BaTiO3 is decreasing rapidly with growth pressure. We interpret this divergence of the dielectric function as the signature of the vicinity of the phase boundary between the out-of-plane and in-plane orientations of the tetragonal BTO films.

Enhancement of output performance through post-poling technique on BaTiO3/PDMS-based triboelectric nanogenerator

NASA Astrophysics Data System (ADS)

Ali, Danish; Yu, Bin; Duan, Xiaochao; Yu, Hao; Zhu, Meifang

2017-02-01

In the modern era, the invention of new energy sources is important in order to make advances possible in electronic media. A triboelectric nanogenerator (TENG) is considered to be strong design that converts mechanical power into electrical power, using organic (polymer) or inorganic (lead, ceramic etc) materials to initiate the triboelectrification process, followed by charge separation. In this study, a lead-free BaTiO3/PDMS-Al-based TENG was fabricated by mixing tetragonal ferroelectric BaTiO3 nanocrystals in a PDMS matrix to make a composite for a working electrode film. It is worth noting that a new post- poling process has been introduced to align the dipole structures in the BaTiO3 nanocrystals, and to attain a high electron density on the surface of the working electrode film. The output was recorded up to 375 V and 6 μA of close circuit voltage and short circuit current, respectively, at a current density of 0.3 μA cm-2 and an effective power equal to 2.25 mW at a load resistance of 100 MΩ, and is four times higher than a PDMS-Al-based TENG. This study also reveals the hidden locks that will enable other inorganic materials with a dipole structure to enhance their output using the post-poling technique. The TENG has a vast field of applications due to its stability, the flexibility of its thin films and its biocompatibility. It is also an aid for exploring new TENG devices with enhanced output performance.

AES study on the chemical composition of ferroelectric BaTiO3 thin films RF sputter-deposited on silicon

NASA Technical Reports Server (NTRS)

Dharmadhikari, V. S.; Grannemann, W. W.

1983-01-01

AES depth profiling data are presented for thin films of BaTiO3 deposited on silicon by RF sputtering. By profiling the sputtered BaTiO3/silicon structures, it was possible to study the chemical composition and the interface characteristics of thin films deposited on silicon at different substrate temperatures. All the films showed that external surface layers were present, up to a few tens of angstroms thick, the chemical composition of which differed from that of the main layer. The main layer had stable composition, whereas the intermediate film-substrate interface consisted of reduced TiO(2-x) oxides. The thickness of this intermediate layer was a function of substrate temperature. All the films showed an excess of barium at the interface. These results are important in the context of ferroelectric phenomena observed in BaTiO3 thin films.

Engineered unique elastic modes at a BaTiO 3/2x1-Ge(001) interface

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kumah, D. P.; Dogan, M.; Ngai, J. H.

Here, the strong interaction at an interface between a substrate and thin film leads to epitaxy and provides a means of inducing structural changes in the epitaxial film. These induced material phases often exhibit technologically relevant electronic, magnetic, and functional properties. The 2×1 surface of a Ge(001) substrate applies a unique type of epitaxial constraint on thin films of the perovskite oxide BaTiO 3 where a change in bonding and symmetry at the interface leads to a non-bulk-like crystal structure of the BaTiO 3. While the complex crystal structure is predicted using first-principles theory, it is further shown that themore » details of the structure are a consequence of hidden phases found in the bulk elastic response of the BaTiO 3 induced by the symmetry of forces exerted by the germanium substrate.« less

Engineered Unique Elastic Modes at a BaTiO 3 / ( 2 × 1 ) - Ge ( 001 ) Interface

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kumah, D. P.; Dogan, M.; Ngai, J. H.

The strong interaction at an interface between a substrate and thin film leads to epitaxy and provides a means of inducing structural changes in the epitaxial film. These induced material phases often exhibit technologically relevant electronic, magnetic, and functional properties. The 2×1 surface of a Ge(001) substrate applies a unique type of epitaxial constraint on thin films of the perovskite oxide BaTiO3 where a change in bonding and symmetry at the interface leads to a non-bulk-like crystal structure of the BaTiO3. While the complex crystal structure is predicted using first-principles theory, it is further shown that the details of themore » structure are a consequence of hidden phases found in the bulk elastic response of the BaTiO3 induced by the symmetry of forces exerted by the germanium substrate.« less

Engineered unique elastic modes at a BaTiO 3/2x1-Ge(001) interface

DOE PAGES

Kumah, D. P.; Dogan, M.; Ngai, J. H.; ...

2016-03-07

Here, the strong interaction at an interface between a substrate and thin film leads to epitaxy and provides a means of inducing structural changes in the epitaxial film. These induced material phases often exhibit technologically relevant electronic, magnetic, and functional properties. The 2×1 surface of a Ge(001) substrate applies a unique type of epitaxial constraint on thin films of the perovskite oxide BaTiO 3 where a change in bonding and symmetry at the interface leads to a non-bulk-like crystal structure of the BaTiO 3. While the complex crystal structure is predicted using first-principles theory, it is further shown that themore » details of the structure are a consequence of hidden phases found in the bulk elastic response of the BaTiO 3 induced by the symmetry of forces exerted by the germanium substrate.« less

Non-linear second harmonic generation (SHG) studies of BaTiO3/SrTiO3 superlattices

NASA Astrophysics Data System (ADS)

Vlahos, Eftihia; Lee, Che-Hui; Wu, Pingping; Wung Bark, Chung; Jang, Ho Won; Folkman, Chad; Hyub Baek, Seung; Park, J. W.; Biegalski, Mike; Tenne, Dmitri; Schlom, Darrell; Chen, Long-Qing; Eom, Chang-Beom; Gopalan, Venkatraman

2010-03-01

Theoretical phase-field simulations predict that certain types of superlattices consisting of alternating (BaTiO3)n/(SrTiO3)n layers have novel vortex domain wall configurations which give rise to exceptionally high polarization tunability combined with negligible polarization hysteresis. Optical second harmonic generation (SHG) was used to probe the phase and transition temperatures of multilayer (BaTiO3)m/(SrTiO3)n superlattices, as a function of epitaxial strain. In addition, in-plane electro-optic measurements were carried out. The experimental results are in excellent agreement both with theoretical predictions, as well as the temperature-strain phase diagram obtained experimentally from UV Raman studies. The ferroelectric, in-plane SHG signal, from the tensile strained SrTiO3 layers reveals an mm2 point group symmetry, whereas the point group symmetry of the compressively strained BaTiO3 layers, was determined to be 4mm.

Impedance spectroscopy of V2O5-Bi2O3-BaTiO3 glass-ceramics

NASA Astrophysics Data System (ADS)

Al-syadi, Aref M.; Yousef, El Sayed; El-Desoky, M. M.; Al-Assiri, M. S.

2013-12-01

The glasses within composition as: (80 - x)V2O5/20Bi2O3/xBaTiO3 with x = 2.5, 5, 7.5 and 10 mol% have been prepared. The glass transition (Tg) increases with increasing BaTiO3 content. Synthesized glasses ceramic containing BaTi4O9, Ba3TiV4O15 nanoparticles of the order of 25-35 nm and 30-46 nm, respectively were estimated using XRD. The dielectric properties over wide ranges of frequencies and temperatures were investigated as a function of BaTiO3 content by impedance spectroscopy measurements. The hopping frequency, ωh, dielectric constant, ɛ', activation energies for the DC conduction, Eσ, the relaxation process, Ec, and stretched exponential parameter β of the glasses samples have been estimated. The, ωh,β, decrease from 51.63 to 0.31 × 106 (s-1), 0.84 to 0.79 with increasing BaTiO3 respectively. Otherwise, the Eσ, increase from 0.279 to 0.306 eV with increasing BaTiO3. The value of dielectric constant equal 9.5·103 for the 2.5BaTiO3/77.5V2O5/20Bi2O3 glasses-ceramic at 330 K for 1 KHz which is ten times larger than that of same glasses composition. Finally the relaxation properties of the investigated glasses are presented in the electric modulus formalism, where the relaxation time and the respective activation energy were determined.

Accelerated Discovery of Large Electrostrains in BaTiO3 -Based Piezoelectrics Using Active Learning.

PubMed

Yuan, Ruihao; Liu, Zhen; Balachandran, Prasanna V; Xue, Deqing; Zhou, Yumei; Ding, Xiangdong; Sun, Jun; Xue, Dezhen; Lookman, Turab

2018-02-01

A key challenge in guiding experiments toward materials with desired properties is to effectively navigate the vast search space comprising the chemistry and structure of allowed compounds. Here, it is shown how the use of machine learning coupled to optimization methods can accelerate the discovery of new Pb-free BaTiO 3 (BTO-) based piezoelectrics with large electrostrains. By experimentally comparing several design strategies, it is shown that the approach balancing the trade-off between exploration (using uncertainties) and exploitation (using only model predictions) gives the optimal criterion leading to the synthesis of the piezoelectric (Ba 0.84 Ca 0.16 )(Ti 0.90 Zr 0.07 Sn 0.03 )O 3 with the largest electrostrain of 0.23% in the BTO family. Using Landau theory and insights from density functional theory, it is uncovered that the observed large electrostrain is due to the presence of Sn, which allows for the ease of switching of tetragonal domains under an electric field. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Efficient synthesis of ammonia from N2 and H2 alone in a ferroelectric packed-bed DBD reactor

NASA Astrophysics Data System (ADS)

Gómez-Ramírez, A.; Cotrino, J.; Lambert, R. M.; González-Elipe, A. R.

2015-12-01

A detailed study of ammonia synthesis from hydrogen and nitrogen in a planar dielectric barrier discharge (DBD) reactor was carried out. Electrical parameters were systematically varied, including applied voltage and frequency, electrode gap, and type of ferroelectric material (BaTiO3 versus PZT). For selected operating conditions, power consumption and plasma electron density were estimated from Lissajous diagrams and by application of the Bolsig  +  model, respectively. Optical emission spectroscopy was used to follow the evolution of plasma species (\\text{N}{{\\text{H}}*},{{\\text{N}}*},~{N}2+~\\text{and} ~{N}2* ) as a function of applied voltage with both types of ferroelectric material. PZT gave both greater energy efficiency and higher ammonia yield than BaTiO3: 0.9 g NH3 kWh-1 and 2.7% single pass N2 conversion, respectively. This performance is substantially superior to previously published findings on DBD synthesis of NH3 from N2 and H2 alone. The influence of electrical working parameters, the beneficial effect of PZT and the importance of controlling reactant residence time are rationalized in a reaction model that takes account of the principal process variables

High pressure FAST of nanocrystalline barium titanate

DOE PAGES

Fraga, Martin B.; Delplanque, Jean -Pierre; Yang, Nancy; ...

2016-06-01

Here, this work studies the microstructural evolution of nanocrystalline (<1 µm) barium titanate (BaTiO 3), and presents high pressure in field-assisted sintering (FAST) as a robust methodology to obtain >100 nm BaTiO 3 compacts. Using FAST, two commercial ~50 nm powders were consolidated into compacts of varying densities and grain sizes. Microstructural inhomogeneities were investigated for each case, and an interpretation is developed using a modified Monte Carlo Potts (MCP) simulation. Two recurrent microstructural inhomogeneities are highlighted, heterogeneous grain growth and low-density regions, both ubiqutously present in all samples to varying degrees. In the worst cases, HGG presents an areamore » coverage of 52%. Because HGG is sporadic but homogenous throughout a sample, the catalyst (e.g., the local segregation of species) must be, correspondingly, distributed in a homogenous manner. MCP demonstrates that in such a case, a large distance between nucleating abnormal grains is required—otherwise abnormal grains prematurely impinge on each other, and their size is not distinguishable from that of normal grains. Compacts sintered with a pressure of 300 MPa and temperatures of 900 °C, were 99.5% dense and had a grain size of 90±24 nm. These are unprecedented results for commercial BaTiO 3 powders or any starting powder of 50 nm particle size—other authors have used 16 nm lab-produced powder to obtain similar results.« less

Properties and Degradation of Polarization Reversal of Soft BaTiO3 Ceramics for Ferroelectric Thin-Film Devices

NASA Astrophysics Data System (ADS)

Thongrueng, Jirawat; Tsuchiya, Toshio; Masuda, Yoichiro; Fujita, Shigetaka; Nagata, Kunihiro

1999-09-01

Soft BaTiO3 ceramics having a very low coercive field of 65 V/mm were prepared by substituting 9 mol% Hf Zr for the Ti-site of BaTiO3, for applications to ferroelectric thin-film devices. Electrical properties of the soft BaTiO3 ceramics were measured and compared with those of normal BaTiO3 ceramics. By substituting Hf Zr for Ti-site, the phase transition temperatures were controlled, and we could select the preferred crystal structure from the tetragonal, orthorhombic and rhombohedral phases at room temperature. In addition, the preparation and characterization of the soft BaTiO3 thin-films using a sol-gel process were carried out.

Effectiveness of BaTiO 3 dielectric patches on YBa 2Cu 3O 7 thin films for MEM switches

DOE PAGES

Vargas, J.; Hijazi, Y.; Noel, J.; ...

2014-05-12

A micro-electro-mechanical (MEM) switch built on a superconducting microstrip filter will be utilized to investigate BaTiO 3 dielectric patches for functional switching points of contact. Actuation voltage resulting from the MEM switch provokes static friction between the bridge membrane and BaTiO 3 insulation layer. Furthermore, the dielectric patch crystal structure and roughness affect the ability of repetitively switching cycles and lifetime. We performed a series of experiments using different deposition methods and RF magnetron sputtering was found to be the best deposition process for the BaTiO 3 layer. The effect examination of surface morphology will be presented using characterization techniquesmore » as x-ray diffraction, SEM and AFM for an optimum switching device. The thin film is made of YBa 2Cu 3O 7 deposited on LaAlO 3 substrate by pulsed laser deposition. In our work, the dielectric material sputtering pressure is set at 9.5x10 -6 Torr. The argon gas is released through a mass-flow controller to purge the system prior to deposition. RF power is 85 W at a distance of 9 cm. The behavior of Au membranes built on ultimate BaTiO 3 patches will be shown as part of the results. These novel surface patterns will in turn be used in modelling other RF MEM switch devices such as distributed-satellite communication system operating at cryogenic temperatures.« less

Enhancement of ferroelectric Curie temperature in BaTiO3 films via strain-induced defect dipole alignment.

PubMed

Damodaran, Anoop R; Breckenfeld, Eric; Chen, Zuhuang; Lee, Sungki; Martin, Lane W

2014-09-01

The combination of epitaxial strain and defect engineering facilitates the tuning of the transition temperature of BaTiO3 to >800 °C. Advances in thin-film deposition enable the utilization of both the electric and elastic dipoles of defects to extend the epitaxial strain to new levels, inducing unprecedented functionality and temperature stability in ferroelectrics. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Fatigue mechanism of textured Pb(Mg1/3Nb2/3)O3-PbTiO3 ceramics

NASA Astrophysics Data System (ADS)

Yan, Yongke; Zhou, Yuan; Gupta, Shashaank; Priya, Shashank

2013-08-01

Grain orientation, BaTiO3 heterogeneous template content, and electrode materials are expected to play an important role in controlling the polarization fatigue behavior of ⟨001⟩ textured Pb(Mg1/3Nb2/3)O3-PbTiO3 ceramics. A comparative analysis with randomly oriented ceramics showed that ⟨001⟩ grain orientation/texture exhibits improved fatigue characteristics due to the reduced switching activation energy and high domain mobility. The hypothesis was validated from the systematic characterization of polarization—electric field behavior and domain wall density. The defect accumulation at the grain boundary and clamping effect arising from the presence of BaTiO3 heterogeneous template in the final microstructure was found to be the main cause for polarization degradation in textured ceramic.

Two steps hydrothermal growth and characterisations of BaTiO3 films composed of nanowires

NASA Astrophysics Data System (ADS)

Zawawi, Che Zaheerah Najeehah Che Mohd; Salleh, Shahril; Oon Jew, Lee; Tufail Chaudhary, Kashif; Helmi, Mohamad; Safwan Aziz, Muhammad; Haider, Zuhaib; Ali, Jalil

2018-05-01

Barium titanate (BaTiO3) films composed of nanowires have gained considerable research interest due to their lead-free composition and strong energy conversion efficiency. BaTiO3 films can be developed with a simple two steps hydrothermal reactions, which are low cost effective. In this research, BaTiO3 films were fabricated on titanium foil through two steps hydrothermal method namely, the growth of TiO2 and followed by BaTiO3 films. The structural evolutions and the dielectric properties of the films were investigated as well. The structural evolutions of titanium dioxide (TiO2) and BaTiO3 nanowires were characterized using X-ray diffraction and scanning electron microscopy. First step of hydrothermal reaction, TiO2 nanowires were prepared in varied temperatures of 160 °C, 200 °C and 250 °C respectively. Second step of hydrothermal reaction was performed to produce a layer of BaTiO3 films.

Microstructure and properties of single crystal BaTiO3 thin films synthesized by ion implantation-induced layer transfer

NASA Astrophysics Data System (ADS)

Park, Young-Bae; Ruglovsky, Jennifer L.; Atwater, Harry A.

2004-07-01

Single crystal BaTiO3 thin films have been transferred onto Pt-coated and Si3N4-coated substrates by the ion implantation-induced layer transfer method using H + and He+ ion coimplantation and subsequent annealing. The transferred BaTiO3 films are single crystalline with root mean square roughness of 17nm. Polarized optical and piezoresponse force microscopy (PFM) indicate that the BaTiO3 film domain structure closely resembles that of bulk tetragonal BaTiO3 and atomic force microscopy shows a 90° a -c domain structure with a tetragonal angle of 0.5°-0.6°. Micro-Raman spectroscopy indicates that the local mode intensity is degraded in implanted BaTiO3 but recovers during anneals above the Curie temperature. The piezoelectric coefficient, d33, is estimated from PFM to be 80-100pm/V and the coercive electric field (Ec) is 12-20kV/cm, comparable to those in single crystal BaTiO3.

Spin-Coating and Characterization of Multiferroic MFe2O4 (M=Co, Ni) / BaTiO3 Bilayers

NASA Astrophysics Data System (ADS)

Quandt, Norman; Roth, Robert; Syrowatka, Frank; Steimecke, Matthias; Ebbinghaus, Stefan G.

2016-01-01

Bilayer films of MFe2O4 (M=Co, Ni) and BaTiO3 were prepared by spin coating of N,N-dimethylformamide/acetic acid solutions on platinum coated silicon wafers. Five coating steps were applied to get the desired thickness of 150 nm for both the ferrite and perovskite layer. XRD, IR and Raman spectroscopy revealed the formation of phase-pure ferrite spinels and BaTiO3. Smooth surfaces with roughnesses in the order of 3 to 5 nm were found in AFM investigations. Saturation magnetization of 347 emu cm-3 for the CoFe2O4/BaTiO3 and 188 emu cm-3 for the NiFe2O4/BaTiO3 bilayer, respectively were found. For the CoFe2O4/BaTiO3 bilayer a strong magnetic anisotropy was observed with coercivity fields of 5.1 kOe and 3.3 kOe (applied magnetic field perpendicular and parallel to film surface), while for the NiFe2O4/BaTiO3 bilayer this effect is less pronounced. Saturated polarization hysteresis loops prove the presence of ferroelectricity in both systems.

Synthesis of transparent BaTiO3 nanoparticle/polymer composite film using DC field

NASA Astrophysics Data System (ADS)

Kondo, Yusuke; Okumura, Yasuko; Oi, Chifumi; Sakamoto, Wataru; Yogo, Toshinobu

2008-10-01

Transparent BaTiO3 nanoparticle/polymer composite films were synthesized from titanium-organic film and barium ion in aqueous solution under direct current (DC) field. Titanium-organic precursor was synthesized from titanium isopropoxide, acetylacetone and methacrylate derivative. The UV treatment was effective to increase the anti-solubility of the titanium-organic film during DC processing. BaTiO3 nanoparticles were crystallized in the precursor films on stainless substrates without high temperature process, as low as 40°C. The crystallite size of BaTiO3 increased with increasing reaction temperature from 40 to 50 °C at 3.0 V/cm. BaTiO3 nanoparticles also grew in size with increasing reaction time from 15 min to 45 min at 3.0 V/cm and 50 °C. Transparent BaTiO3 nanoparticle/polymer films were synthesized on stainless substrates at 3.0 V/cm and 50°C for 45 min.

Effect of solution combusted TiO2 nanopowder within commercial BaTiO3 dielectric layer on the photoelectric properties for AC powder electroluminescence devices.

PubMed

Park, Sung; Choi, Gil Rak; Kim, Youn Cheol; Lee, Jae Chun; Lee, Ju Hyeon

2013-05-01

A unique synthesis method was developed, which is called solution combustion method (SCM). TiO2 nanopowder was synthesized by this method. This SCM TiO2 nanopowder (-35 nm) was added to the dielectric layer of AC powder electroluminescence (EL) device. The dielectric layer was made of commercial BaTiO3 powder (-1.2 microm) and binding polymer. 0, 5, 10 and 15 wt% of SCM TiO2 nanopowder was added to the dielectric layer during fabrication of AC powder EL device respectively. Dielectric constant of these four kinds of dielectric layers was measured. The brightness and current density of AC powder EL device were also measured. When 10 wt% of SCM TiO2 nanopowder was added, dielectric constant and brightness were increased by 30% and 101% respectively. Furthermore, the current density was decreased by 71%. This means that the brightness was double and the power consumption was one third.

Zn2+ in-situ substitution behavior during the formation of BaTiO3 coatings from plasma-sprayed powders collected in liquid nitrogen

NASA Astrophysics Data System (ADS)

Liu, Zhe; Xing, Zhiguo; Wang, Haidou; Xue, Zifan; Chen, Shuying; Cui, Xiufang; Jin, Guo

2018-04-01

The dielectric performance of BaTiO3 ceramic coatings is enhanced significantly by the addition of ZnO. In this study, the maximum relative permittivity value (εr ≈ 923) was measured in BaTiO3 coatings with ZnO added at 6 wt%. The Curie temperature (Tc) was in the range of 111 °C-121 °C for all of the ZnO-modified BaTiO3 coatings. Tc shifted to low temperatures as the ZnO content increased. Detailed analyses were performed to determine the phase composition and optical band gaps of powders collected in liquid nitrogen, which showed that the Zn2+ ions were incorporated into the BaTiO3 lattice where they substituted into the Ti4+ sites, and the composite powders (BaTiO3 + 6 wt% ZnO) tolerated high temperatures in the plasma beam. In addition, some residual Zn accumulated in the grain boundary in the form of ZnO. X-ray diffraction and Raman spectroscopy showed that the substitution led to changes in the compositional and structural properties. The red shift in the optical band gap of BaTiO3 indicated that the ZnTi'' defects caused by the dopants acted as carriers in the doped BaTiO3 coatings.

First-principles calculations on thermodynamic properties of BaTiO3 rhombohedral phase.

PubMed

Bandura, Andrei V; Evarestov, Robert A

2012-07-05

The calculations based on the linear combination of atomic orbitals have been performed for the low-temperature phase of BaTiO(3) crystal. Structural and electronic properties, as well as phonon frequencies were obtained using hybrid PBE0 exchange-correlation functional. The calculated frequencies and total energies at different volumes have been used to determine the equation of state and thermal contribution to the Helmholtz free energy within the quasiharmonic approximation. For the first time, the bulk modulus, volume thermal expansion coefficient, heat capacity, and Grüneisen parameters in BaTiO(3) rhombohedral phase have been estimated at zero pressure and temperatures form 0 to 200 K, based on the results of first-principles calculations. Empirical equation has been proposed to reproduce the temperature dependence of the calculated quantities. The agreement between the theoretical and experimental thermodynamic properties was found to be satisfactory. Copyright © 2012 Wiley Periodicals, Inc.

Growth and Characterization of Reduced Dimensionality Superconductor-Related Phases by Molecular Beam Epitaxy

DTIC Science & Technology

1998-02-01

BaTiO3 Ferromagnets M., = 1.4 g SrRuO3 Colossal Magnetoresistance AR/RH > 104~ (6 T) (La,Sr)MnO 3 3 submitted to JOM B4Ti 3O12 PbUiO 3 (Ba,K)BiO3 YBa2C...films, perhaps as a result of those films being closer to the correct Ba/Ti stoichiometric ratio. This is seen in Fig. 5, where data for the permittivity ...as a function of temperature is shown for a 60 nm thick BaTiO 3 film (Note Permittivity BSS-12 -- Ls BSS12 that as explained earlier, this film

Electrical transport across nanometric SrTiO3 and BaTiO3 barriers in conducting/insulator/conducting junctions

NASA Astrophysics Data System (ADS)

Navarro, H.; Sirena, M.; González Sutter, J.; Troiani, H. E.; del Corro, P. G.; Granell, P.; Golmar, F.; Haberkorn, N.

2018-01-01

We report the electrical transport properties of conducting/insulator/conducting heterostructures by studying current-voltage IV curves at room temperature. The measurements were obtained on tunnel junctions with different areas (900, 400 and 100 μm2) using a conducting atomic force microscope. Trilayers with GdBa2Cu3O7 (GBCO) as the bottom electrode, SrTiO3 or BaTiO3 (thicknesses between 1.6 and 4 nm) as the insulator barrier, and GBCO or Nb as the top electrode were grown by DC sputtering on (100) SrTiO3 substrates For SrTiO3 and BaTiO3 barriers, asymmetric IV curves at positive and negative polarization can be obtained using electrodes with different work function. In addition, hysteretic IV curves are obtained for BaTiO3 barriers, which can be ascribed to a combined effect of the FE reversal switching polarization and an oxygen vacancy migration. For GBCO/BaTiO3/GBCO heterostructures, the IV curves correspond to that expected for asymmetric interfaces, which indicates that the disorder affects differently the properties at the bottom and top interfaces. Our results show the role of the interface disorder on the electrical transport of conducting/insulator/conduction heterostructures, which is relevant for different applications, going from resistive switching memories (at room temperature) to Josephson junctions (at low temperatures).

High ferroelectric polarization in c-oriented BaTiO 3 epitaxial thin films on SrTiO 3/Si(001)

DOE PAGES

Scigaj, M.; Chao, C. H.; Gázquez, J.; ...

2016-09-21

The integration of epitaxial BaTiO 3 films on silicon, combining c-orientation, surface flatness, and high ferroelectric polarization is of main interest towards its use in memory devices. This combination of properties has been only achieved so far by using yttria-stabilized zirconia buffer layers. Here, the all-perovskite BaTiO 3/LaNiO 3/SrTiO 3 heterostructure is grown monolithically on Si(001). The BaTiO 3 films are epitaxial and c-oriented and present low surface roughness and high remnant ferroelectric polarization around 6 μC/cm 2. Lastly, this result paves the way towards the fabrication of lead-free BaTiO 3 ferroelectric memories on silicon platforms.

Crystallographic orientation of epitaxial BaTiO3 films: The role of thermal-expansion mismatch with the substrate

NASA Astrophysics Data System (ADS)

Srikant, V.; Tarsa, E. J.; Clarke, D. R.; Speck, J. S.

1995-02-01

Expitaxial ferroelectric BaTiO3 thin films have been grown on (001) MgO and MgO-buffered (001) GaAs substrates by pulsed laser deposition to explore the effect of substrate lattice parameter. X-ray-diffraction studies showed that the BaTiO3 films on both MgO single-crystal substrates and MgO-buffered (001) GaAs substrates have a cube-on-cube epitaxy; however, for the BaTiO3 films grown on MgO the spacing of the planes parallel to the substrate was close to the c-axis dimension of the unconstrained tetragonal phase, whereas the BaTiO3 films on MgO/GaAs exhibited a spacing closer to the a-axis dimension of the unconstrained tetragonal phase. The cube-on-cube epitaxy was maintained through the heterostructures even when thin epitaxial intermediate buffer layers of SrTiO3 and La(0.5)Sr(0.5)CoO3 were used. The intermediate layers had no effect on the position of the BaTiO3 peak in theta - 2 theta scans. Together, these observations indicate that, for the materials combinations studied, it is the thermal-expansion mismatch between the film and the underlying substrate that determines the crystallographic orientation of the BaTiO3 film. Preliminary measurements indicate that the BaTiO3 films are 'weakly' ferroelectric.

Multiphase nanodomains in a strained BaTiO3 film on a GdScO3 substrate

NASA Astrophysics Data System (ADS)

Kobayashi, Shunsuke; Inoue, Kazutoshi; Kato, Takeharu; Ikuhara, Yuichi; Yamamoto, Takahisa

2018-02-01

Controlling the crystal structure of ferroelectric materials via epitaxial strain, which is a well-known technique in strain engineering, can lead to the formation of unique domain structures generating non-intrinsic phenomena such as electronic conductivity, photovoltages, and enhanced piezoelectric characteristics. Strained BaTiO3 films are promising ferroelectric materials as theoretical modeling predicts that different domain morphologies can introduce additional properties not observed in conventional BaTiO3 ceramics. To rationally design materials for practical application, a thorough understanding of the formation mechanisms and stabilities of different domain structures in strained BaTiO3 films is required. However, there have been very few experimental reports on this topic, and details about the domain structures in strained BaTiO3 films are currently lacking. In this paper, we report multiphase nanodomains in a strained BaTiO3 film deposited on an orthorhombic GdScO3 substrate. The phase-transition behavior of the strained BaTiO3 film reveals that it contains multiple phases at room temperature; the film first undergoes a phase-transition upon heating at around 550 K, and then a paraelectric phase forms at temperatures above 690 K. A picometer-scale analysis of the Ti ion displacements, using an advanced scanning transmission electron microscopy technique, is used to characterize the complex multiphase nanodomains, providing useful insights into the control of domain structures in BaTiO3 films by applying epitaxial strain.

Proton transport polarization and depolarization of hydroxyapatite ceramics

NASA Astrophysics Data System (ADS)

Nakamura, Satoshi; Takeda, Hiroaki; Yamashita, Kimihiro

2001-05-01

Polarization of sintered hydroxyapatite (HAp) ceramics by application of an external dc field at higher temperature was analyzed by thermally stimulated depolarization current (TSDC) measurements. The mechanisms for the polarization and depolarization of HAp were discussed in relation to the instability of the protons in the hydroxide groups. The TSDC spectra consisted of broad peaks, while the ferroelectric substances such as the BaTiO3 ceramics exhibited a sharp peak. Although the maximum current density of 7.87 nA cm-2 for the HAp polarized at 400 °C under 1.0 kV cm-1 was approximately 1/12 lower than that of BaTiO3, the polarization charge of 14.9 μC cm-2 was almost twice as large as that of BaTiO3. Considering the activation energy of 0.72-0.89 eV for the depolarization, it was revealed that the polarization of HAp was ascribed to the migration of protons in the columnar OH- channels with a micrometer-order distance. It was also found that the polarization charge was large and long enough to enhance the biological reactivity of HAp ceramics for biomedical implants.

Eu-Doped BaTiO3 Powder and Film from Sol-Gel Process with Polyvinylpyrrolidone Additive

PubMed Central

García-Hernández, Margarita; García-Murillo, Antonieta; de J. Carrillo-Romo, Felipe; Jaramillo-Vigueras, David; Chadeyron, Geneviève; De la Rosa, Elder; Boyer, Damien

2009-01-01

Transparent BaTiO3:Eu3+ films were prepared via a sol-gel method and dip-coating technique, using barium acetate, titanium butoxide, and polyvinylpyrrolidone (PVP) as modifier viscosity. BaTiO3:Eu3+ films ~500 nm thick, crystallized after thermal treatment at 700 ºC. The powders revealed spherical and rod shape morphology. The optical quality of films showed a predominant band at 615 nm under 250 nm excitation. A preliminary luminescent test provided the properties of the Eu3+ doped BaTiO3. PMID:19865533

Synchrotron X-ray studies of epitaxial ferroelectric thin films and nanostructures

NASA Astrophysics Data System (ADS)

Klug, Jeffrey A.

The study of ferroelectric thin films is a field of considerable scientific and technological interest. In this dissertation synchrotron x-ray techniques were applied to examine the effects of lateral confinement and epitaxial strain in ferroelectric thin films and nanostructures. Three materials systems were investigated: laterally confined epitaxial BiFeO3 nanostructures on SrTiO3 (001), ultra-thin commensurate SrTiO 3 films on Si (001), and coherently strained films of BaTiO3 on DyScO3 (110). Epitaxial films of BiFeO3 were deposited by radio frequency magnetron sputtering on SrRuO3 coated SrTiO 3 (001) substrates. Laterally confined nanostructures were fabricated using focused ion-beam processing and subsequently characterized with focused beam x-ray nanodiffraction measurements with unprecedented spatial resolution. Results from a series of rectangular nanostructures with lateral dimensions between 500 nm and 1 mum and a comparably-sized region of the unpatterned BiFeO3 film revealed qualitatively similar distributions of local strain and lattice rotation with a 2-3 times larger magnitude of variation observed in those of the nanostructures compared to the unpatterned film. This indicates that lateral confinement leads to enhanced variation in the local strain and lattice rotation fields in epitaxial BiFeO3 nanostructures. A commensurate 2 nm thick film of SrTiO3 on Si was characterized by the x-ray standing wave (XSW) technique to determine the Sr and Ti cation positions in the strained unit cell in order to verify strain-induced ferroelectricity in SrTiO3/Si. A Si (004) XSW measurement at 10°C indicated that the average Ti displacement from the midpoint between Sr planes was consistent in magnitude to that predicted by a density functional theory (DFT) calculated ferroelectric structure. The Ti displacement determined from a 35°C measurement better matched a DFT-predicted nonpolar structure. The thin film extension of the XSW technique was employed to measure the polar displacement of the Ba cations in a 50 nm thick coherently strained BaTiO3 film on DyScO3 (110). An analysis assuming a bulk-like ratio between the Ti and Ba displacements found that the polar shift of Ba cations was larger than in bulk BaTiO3, which was consistent with strain-induced enhancement of ferroelectric polarization in BaTiO3/DyScO3 (110).

Direct Observation of Surface Potential Distribution in Insulation Resistance Degraded Acceptor-Doped BaTiO3 Multilayered Ceramic Capacitors

NASA Astrophysics Data System (ADS)

Hong, Kootak; Lee, Tae Hyung; Suh, Jun Min; Park, Jae-Sung; Kwon, Hyung-Soon; Choi, Jaeho; Jang, Ho Won

2018-05-01

Insulation resistance (IR) degradation in BaTiO3 is a key issue for developing miniaturized multilayer ceramic capacitors (MLCCs) with high capacity. Despite rapid progress in BaTiO3-based MLCCs, the mechanism of IR degradation is still controversial. In this study, we demonstrate the Al doping effect on IR degradation behavior of BaTiO3 MLCCs by electrical measurements and scanning Kelvin probe microscopy (SKPM). As the Al doping concentration in BaTiO3 increases, IR degradation of MLCCs seems to be suppressed from electrical characterization results. However, SKPM results reveal that the conductive regions near the cathode become lager with Al doping after IR degradation. The formation of conducting regions is attributed to the migration of oxygen vacancies, which is the origin of IR degradation in BaTiO3, in dielectric layers. These results imply that acceptor doping in BaTiO3 solely cannot suppress the IR degradation in MLCC even though less asymmetric IR characteristics and IR degradation in MLCCs with higher Al doping concentration are observed from electrical characterization. Our results strongly suggest that observing the surface potential distribution in IR degraded dielectric layers using SKPM is an effective method to unravel the mechanism of IR degradation in MLCCs.

Direct detection of cysteine using functionalized BaTiO3 nanoparticles film based self-powered biosensor.

PubMed

Selvarajan, Sophia; Alluri, Nagamalleswara Rao; Chandrasekhar, Arunkumar; Kim, Sang-Jae

2017-05-15

Simple, novel, and direct detection of clinically important biomolecules have continuous demand among scientific community as well as in market. Here, we report the first direct detection and facile fabrication of a cysteine-responsive, film-based, self-powered device. NH 2 functionalized BaTiO 3 nanoparticles (BT-NH 2 NPs) suspended in a three-dimensional matrix of an agarose (Ag) film, were used for cysteine detection. BaTiO 3 nanoparticles (BT NPs) semiconducting as well as piezoelectric properties were harnessed in this study. The changes in surface charge properties of the film with respect to cysteine concentrations were determined using a current-voltage (I-V) technique. The current response increased with cysteine concentration (linear concentration range=10µM-1mM). Based on the properties of the composite (BT/Ag), we created a self-powered cysteine sensor in which the output voltage from a piezoelectric nanogenerator was used to drive the sensor. The potential drop across the sensor was measured as a function of cysteine concentrations. Real-time analysis of sensor performance was carried out on urine samples by non-invasive method. This novel sensor demonstrated good selectivity, linear concentration range and detection limit of 10µM; acceptable for routine analysis. Copyright © 2016 Elsevier B.V. All rights reserved.

The Effects of Spark-Plasma Sintering (SPS) on the Microstructure and Mechanical Properties of BaTiO3/3Y-TZP Composites

PubMed Central

Li, Jing; Cui, Bencang; Wang, Huining; Lin, Yuanhua; Deng, Xuliang; Li, Ming; Nan, Cewen

2016-01-01

Composite ceramics BaTiO3/3Y-TZP containing 0 mol %, 3 mol %, 5 mol %, 7 mol %, and 10 mol % BaTiO3 have been prepared by conventional sintering and spark-plasma sintering (SPS), respectively. Analysis of the XRD patterns and Raman spectra reveal that the phase composition of t-ZrO2, m-ZrO2, and BaTiO3 has been obtained. Our results indicate that SPS can be effective for the decrease in grain size and porosity compared with conventional sintering, which results in a lower concentration of m-ZrO2 and residual stress. Therefore, the fracture toughness is enhanced by the BaTiO3 phase through the SPS technique, while the behavior was impaired by the piezoelectric second phase through conventional sintering. PMID:28773445

BaTiO3/PVDF Nanocomposite Film with High Energy Storage Density

NASA Astrophysics Data System (ADS)

Wang, Xiaohui

2016-03-01

A gradated multilayer BaTiO3/poly(vinylidenefluoride) thin film structure is presented to achieve both a higher breakdown strength and a superior energy-storage capability. Key to the process is the sequential deposition of uniform dispersions of the single component source, which generate a blended PVDF-BTO-PVDF structure prior to full evaporation of solvent, and thermal treatment of the dielectric. The result is like sandwich structure with partial 0-3 character. The central layer designed to provide the high electric displacement, is composed of high volume fraction 6-10 nm BTO nanocrystals produced by a TEG-sol method. The outer layers of the structure are predominantly PVDF, with a significantly lower volume fraction of BTO, taking advantage of the higher dielectric strength for pure PVDF at the electrode-nanocomposite interface. The film is mechanically flexible, and can be removed from the substrate, with total thicknesses in the range 1.2 - 1.5 μm. Parallel plate capacitance devices improved dielectric performances, compared to reported values for BTO-PVDF 0-3 nanocomposites, with a maximal discharged energy density of 19.4J/cm3 and dielectric breakdown strengths of up to 495 kV/mm.

Studies of local structural distortions in strained ultrathin BaTiO3 films using scanning transmission electron microscopy.

PubMed

Park, Daesung; Herpers, Anja; Menke, Tobias; Heidelmann, Markus; Houben, Lothar; Dittmann, Regina; Mayer, Joachim

2014-06-01

Ultrathin ferroelectric heterostructures (SrTiO3/BaTiO3/BaRuO3/SrRuO3) were studied by scanning transmission electron microscopy (STEM) in terms of structural distortions and atomic displacements. The TiO2-termination at the top interface of the BaTiO3 layer was changed into a BaO-termination by adding an additional BaRuO3 layer. High-angle annular dark-field (HAADF) imaging by aberration-corrected STEM revealed that an artificially introduced BaO-termination can be achieved by this interface engineering. By using fast sequential imaging and frame-by-frame drift correction, the effect of the specimen drift was significantly reduced and the signal-to-noise ratio of the HAADF images was improved. Thus, a quantitative analysis of the HAADF images was feasible, and an in-plane and out-of-plane lattice spacing of the BaTiO3 layer of 3.90 and 4.22 Å were determined. A 25 pm shift of the Ti columns from the center of the unit cell of BaTiO3 along the c-axis was observed. By spatially resolved electron energy-loss spectroscopy studies, a reduction of the crystal field splitting (CFS, ΔL3=1.93 eV) and an asymmetric broadening of the eg peak were observed in the BaTiO3 film. These results verify the presence of a ferroelectric polarization in the ultrathin BaTiO3 film.

X-ray absorption fine structure analysis of molybdenum added to BaTiO3-based ceramics used for multilayer ceramic capacitors

NASA Astrophysics Data System (ADS)

Ogata, Yoichiro; Shimura, Tetsuo; Ryu, Minoru; Iwazaki, Yoshiki

2017-04-01

The effect of slight molybdenum doping of perovskite-type BaTiO3-based ceramics on the reliability of a multilayer ceramic capacitor (MLCC) and on the valence state of molybdenum in the BaTiO3-based ceramics has been investigated by highly accelerated lifetime tests and X-ray absorption fine structure analysis. The molybdenum added to the BaTiO3-based ceramics is located at Ti sites and improves the highly accelerated lifetime and lowers the initial dielectric resistivity in MLCCs. Through sintering in a reducing atmosphere, which is an important process in the fabrication of BaTiO3-based MLCCs, the oxidation state of the molybdenum added could be adjusted from +6 to a value close to +4.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Scigaj, M.; Chao, C. H.; Gázquez, J.

The integration of epitaxial BaTiO 3 films on silicon, combining c-orientation, surface flatness, and high ferroelectric polarization is of main interest towards its use in memory devices. This combination of properties has been only achieved so far by using yttria-stabilized zirconia buffer layers. Here, the all-perovskite BaTiO 3/LaNiO 3/SrTiO 3 heterostructure is grown monolithically on Si(001). The BaTiO 3 films are epitaxial and c-oriented and present low surface roughness and high remnant ferroelectric polarization around 6 μC/cm 2. Lastly, this result paves the way towards the fabrication of lead-free BaTiO 3 ferroelectric memories on silicon platforms.

Free-electron gas at charged domain walls in insulating BaTiO3

PubMed Central

Sluka, Tomas; Tagantsev, Alexander K.; Bednyakov, Petr; Setter, Nava

2013-01-01

Hetero interfaces between metal-oxides display pronounced phenomena such as semiconductor-metal transitions, magnetoresistance, the quantum hall effect and superconductivity. Similar effects at compositionally homogeneous interfaces including ferroic domain walls are expected. Unlike hetero interfaces, domain walls can be created, displaced, annihilated and recreated inside a functioning device. Theory predicts the existence of 'strongly' charged domain walls that break polarization continuity, but are stable and conduct steadily through a quasi-two-dimensional electron gas. Here we show this phenomenon experimentally in charged domain walls of the prototypical ferroelectric BaTiO3. Their steady metallic-type conductivity, 109 times that of the parent matrix, evidence the presence of stable degenerate electron gas, thus adding mobility to functional interfaces. PMID:23651996

Significant role of antiferromagnetic GdFeO3 on multiferroism of bilayer thin films

NASA Astrophysics Data System (ADS)

Shah, Jyoti; Bhatt, Priyanka; Dayas, K. Diana Diana; Kotnala, R. K.

2018-02-01

Inversion of BaTiO3 and GdFeO3 thin films in bilayer configuration has been deposited by pulsed laser deposition technique. A significant effect of strain on thin film has been observed by X-ray diffraction analysis. Tensile strain of 1.04% and 0.23% has been calculated by X-ray diffraction results. Higher polarization value 70.4 μC cm-2 has been observed by strained BaTiO3 film in GdFeO3/BaTiO3 bilayer film. Strained GdFeO3 film in BaTiO3/GdFeO3 bilayer configuration exhibited ferromagnetic behaviour showed maximum magnetization value of 50 emu gm-1. Magnetoelectric coupling coefficient of bilayer films have been carried out by dynamic method. Room temperature magnetoelectric coupling 2500 mV cm-1-Oe has been obtained for BaTiO3/GdFeO3 bilayer film. The high ME coupling of the BaTiO3/GdFeO3 bilayer film reveals strong interfacial coupling between ferroelectric and ferromagnetic dipoles. On magnetoelectric coupling coefficient effect of ferromagnetic GdFeO3 layer has a significant role. Such high value of ME coupling may be useful in realization of magnetoelectric RAM (MeRAM) application.

Novel Piezoelectric Paper‐Based Flexible Nanogenerators Composed of BaTiO3 Nanoparticles and Bacterial Cellulose

PubMed Central

Zhang, Guangjie; Liao, Qingliang; Zhang, Zheng; Liang, Qijie; Zhao, Yingli; Zheng, Xin

2015-01-01

A piezoelectric paper based on BaTiO3 (BTO) nanoparticles and bacterial cellulose (BC) with excellent output properties for application of nanogenerators (NGs) is reported. A facile and scalable vacuum filtration method is used to fabricate the piezoelectric paper. The BTO/BC piezoelectric paper based NG shows outstanding output performance with open‐circuit voltage of 14 V and short‐circuit current density of 190 nA cm−2. The maximum power density generated by this unique BTO/BC structure is more than ten times higher than BTO/polydimethylsiloxane structure. In bending conditions, the NG device can generate output voltage of 1.5 V, which is capable of driving a liquid crystal display screen. The improved performance can be ascribed to homogeneous distribution of piezoelectric BTO nanoparticles in the BC matrix as well as the enhanced stress on piezoelectric nanoparticles implemented by the unique percolated networks of BC nanofibers. The flexible BTO/BC piezoelectric paper based NG is lightweight, eco‐friendly, and cost‐effective, which holds great promises for achieving wearable or implantable energy harvesters and self‐powered electronics. PMID:27774389

Influences of annealing temperature on structural characterization and magnetic properties of Mn-doped BaTiO3 ceramics

NASA Astrophysics Data System (ADS)

Phan, The-Long; Zhang, P.; Grinting, D.; Yu, S. C.; Nghia, N. X.; Dang, N. V.; Lam, V. D.

2012-07-01

Polycrystalline samples of BaTiO3 doped with 2.0 at. % Mn were prepared by solid-state reaction at various temperatures (Tan) ranging from 500 to 1350 °C, used high-pure powders of BaCO3, TiO2, and MnCO3 as precursors. Experimental results obtained from x-ray diffraction patterns and Raman scattering spectra reveal that tetragonal Mn-doped BaTiO3 starts constituting as Tan ≈ 500 °C. The Tan increase leads to the development of this phase. Interestingly, there is the tetragonal-hexagonal transformation in the crystal structure of BaTiO3 as Tan ≈ 1100 °C. Such the variations influence directly magnetic properties of the samples. Besides paramagnetic contributions of Mn2+ centers traced to electron spin resonance, the room-temperature ferromagnetism found in the samples is assigned to exchange interactions taking place between Mn3+ and Mn4+ ions located in tetragonal BaTiO3 crystals.

Multiscale Study of Barium Titanate Nanostructures and Nanocomposites

NASA Astrophysics Data System (ADS)

Louis, Lydie

Advancements in integrated nanoelectronics will continue to require the use of unique materials or systems of materials with diverse functionalities in increasingly confined spaces. Hence, research on finite-dimensional systems strive to unearth and expand the knowledge of fundamental physical properties in certain key materials which exhibit numerous concurrent and exploitable functions. Correspondingly, ferroelectric nanostructures, which particularly display a plethora of complex phenomena, prevalent in countless fields of research, are noteworthy candidates. Presently, however, the assimilation of zero-(0D) and one-dimensional (1D) ferroelectric into micro- or nano-electronics has been lagging, in part due to a lack of applied and fundamental studies but also due to the paucity of synthetic strategies yielding high quality monocrystalline structures. In this work, the problematics of size reduction, which affects many aspects of electronic devices, was addressed. Furthermore, the depolarizing effects associated with finite thickness in ferroelectric nanostructures was investigated in connection with other crucial boundary conditions. The work reported in this dissertation concerned isolated 0D and 1D BaTiO3 nanocrystals and nanocomposites composed of periodic arrays of BaTiO 3 nanowires embedded in a matrix formed by another ferroelectric material. A systematic investigation was conducted for those three types of nanostructures from a quantum mechanical and atomistic perspective using both direct-first-principles and first-principles-derived methods. Using first-principles-based calculations, the structural phase sequences in 0D (cubic-to-tetragonal-to-monoclinic-to-rhombohedral) and 1D (cubic-to-tetragonal-to-orthorhombic-to-monoclinic) BaTiO3 nanoparticles revealed differences from that of the bulk and thin film systems. The monoclinic symmetry found in the 0D compounds, and as for the ground-state of 1D systems, were also affected by size effects and tuned by varying parameters related to the depolarizing effect. Strong electromechanical responses characteristic to the monoclinic symmetry, were also found. In addition, by partially screening the uncompensated charges at the surface of the nanodots, a small range existed (˜87% to ˜95% screening) where both the polarization and toroidal moment coexisted within the nanoparticles. Ferroelectric nanocomposites are novel systems that were also examined and were found to exhibit completely original properties not yet observed in either constituents alone. The temperature-dependent properties such as the structural phases and behavior of the polarization within these nanocomposites were obtained. Interesting new features related to flux-closure configurations were discovered. Transitions associated with the cores of electric dipole vortices were correlated to the direction of in-plane polarization. In addition, vortex-antivortex pairs in a peculiar phase-locked configuration were ascertained in these structures. Complementary density-functional theory calculations were also performed for BaTiO3 nanowires with dissociated-water adsorbates as a function of the out-of-plane lattice constant. Topological defects with winding numbers ranging from 1 to -3 were found in the water-covered nanowires. The ground-state was found to be of triclinic symmetry. Ab-initio calculations were also performed for nanocomposites to investigate the electronic properties of the phase-locked configuration. Similarly to the Monte-Carlo simulations, a configuration containing both vortices (not localized in the nanowires though) and antivortices was found to be the ground state. Mastery of nanomaterials requires merging theoretical research with experimental observation, hence a synthesis project was developed to obtain BaTiO 3 nano-tubes and wires using direct pore filling of nanoporous templates. The preliminary results suggested the synthesis of polycrystalline nanostructures depend on the template pore surface polarity and size. The results presented in this dissertation suggested that ferroelectric nanostructures continue to be of great fundamental value and may substantially impact advancement in certain technologies. Furthermore, the work on nanocomposites offered a glimpse to the novel functionalities in ferroelectrics.

On stoichiometry and intermixing at the spinel/perovskite interface in CoFe2O4/BaTiO3 thin films.

PubMed

Tileli, Vasiliki; Duchamp, Martial; Axelsson, Anna-Karin; Valant, Matjaz; Dunin-Borkowski, Rafal E; Alford, Neil McN

2015-01-07

The performance of complex oxide heterostructures depends primarily on the interfacial coupling of the two component structures. This interface character inherently varies with the synthesis method and conditions used since even small composition variations can alter the electronic, ferroelectric, or magnetic functional properties of the system. The focus of this article is placed on the interface character of a pulsed laser deposited CoFe2O4/BaTiO3 thin film. Using a range of state-of-the-art transmission electron microscopy methodologies, the roles of substrate morphology, interface stoichiometry, and cation intermixing are determined on the atomic level. The results reveal a surprisingly uneven BaTiO3 substrate surface formed after the film deposition and Fe atom incorporation in the top few monolayers inside the unit cell of the BaTiO3 crystal. Towards the CoFe2O4 side, a disordered region extending several nanometers from the interface was revealed and both Ba and Ti from the substrate were found to diffuse into the spinel layer. The analysis also shows that within this somehow incompatible composite interface, a different phase is formed corresponding to the compound Ba2Fe3Ti5O15, which belongs to the ilmenite crystal structure of FeTiO3 type. The results suggest a chemical activity between these two oxides, which could lead to the synthesis of complex engineered interfaces.

One-dimensional nanoferroic rods; synthesis and characterization

NASA Astrophysics Data System (ADS)

Ahmed, M. A.; Seddik, U.; Okasha, N.; Imam, N. G.

2015-11-01

One-dimensional nanoferroic rods of BaTiO3 were synthesized by improved citrate auto-combustion technology using tetrabutyl titanate. X-ray diffraction (XRD), scanning electron microscopy (SEM), energy-dispersive X-ray (EDX), transmission electron microscopy (TEM), atomic force microscopy (AFM) and Fourier transform infrared spectroscopy (FTIR) have been used to characterize the prepared sample. The results indicated that the crystal structure of BaTiO3 is tetragonal phase with an average crystallite size of 47 nm. SEM image gives a cauliflower-like morphology of the agglomerated nanorods. The stoichiometry of the chemical composition of the BaTiO3 ceramic was confirmed by EDX. TEM micrograph exhibited that BaTiO3 nanoparticles have rod-like shape with an average length of 120 nm and width of 43 nm. AFM was used to investigate the surface topography and its roughness. The topography image in 3D showed that the BaTiO3 particles have a rod shape with an average particle size of 116 nm which in agreement with 3D TEM result.

Enhanced strain effect of aged acceptor-doped BaTiO3 ceramics with clamping domain structures

NASA Astrophysics Data System (ADS)

Wang, Lei; Zhou, Zhiyong; Zhao, Xiaobo; Liu, Zhen; Liang, Ruihong; Dong, Xianlin

2017-03-01

A clamping domain structure is proposed to improve the amount of non-180° domain switching in BaTiO3 based piezoelectric ceramics. Experimental results show a large unipolar strain of 0.23% at 5 kV/mm in aged 0.5 mol. % Mn doped BaTiO3 ceramics with clamping domain structures, and the normalized strain (d33*= Smax/Emax) reaches 600 pm/V at low electric fields of 2 or 3 kV/mm. In contrast, pure BaTiO3 ceramics with clamping domain structures exhibit no clear polarization constriction or strain enhancement at 3 kV/mm. Electron paramagnetic resonance spectra verify the existence of titanium vacancies, Mn2+ and Mn4+, in 0.5 mol. % Mn doped BaTiO3 ceramics. These results indicate that the enhanced strain effect can be attributed to the combined effect of the clamping domain structure and stabilization of defect dipoles. This method provides a general way to obtain large strain in ferroelectrics.

Lead-free Bi(Mg0.5Ti0.5)O3-modified 0.875Bi0.5Na0.5TiO3-0.125BaTiO3 ferroelectric ceramics with tetragonal structure and large field-induced strains

NASA Astrophysics Data System (ADS)

Li, Ling; Zhu, Mankang; Ren, Xiaowei; Wei, Qiumei; Zheng, Mupeng; Hou, Yudong

2017-12-01

A electrostrictive ceramics were designed by introducing Bi(Mg0.5Ti0.5)O3 into 0.875Bi0.5Na0.5TiO3-0.125BaTiO3 with tetragonal structure. All the specimens prepared by a conventional solid sintering technique exhibit the excellent sintering ability with a high relative density over 97%. It is found that, as BMT added, the specimens undergo a structure crossover from ferroelectric P4mm to ergodic P4bm, and the coexistence of both tetragonal structures takes bridge between them. A large field-induced strain of 0.30% and field-independent strain coefficient of 0.0254 m4/C2 occur at 4 mol.% BMT added. This material with excellent sinterability is suitable for the application in actuators and microposition controllers.

Microstructure and dielectric parameters of epitaxial SrRuO3/BaTiO3/SrRuO3 heterostructures

NASA Astrophysics Data System (ADS)

Boikov, Yu. A.; Claeson, T.

2001-05-01

Epitaxial films of ferroelectric barium titanate are desirable in a number of applications but their properties are inferior to those of bulk material. Relations between microstructure and dielectric properties may give better understanding of limitations. Trilayer heterostructures SrRuO3/BaTiO3/SrRuO3 were grown by laser ablation on (100)LaAlO3 and (100)MgO substrates. The BaTiO3 layer was granular in structure. When grown on (100)SrRuO3/(100)LaAlO3, it was preferentially a-axis oriented due to tensile mechanical stress. Using (100)MgO as a substrate, on the other hand, produced a mixture of about equal value of a-axis and c-axis oriented grains of BaTiO3. The dielectric permittivity, ɛ, of the BaTiO3 layer was almost twice as large, at T>200 K and f=100 kHz, for the LaAlO3 substrate as compared to the MgO one. Its maximum value (ɛ/ɛ0≈6200) depended on temperature of growth, grain size, and electric field and compares well with optimal values commonly used for ceramic material. The maximum in the ɛ(T) shifted from about 370 to 320 K when the grain size in the BaTiO3 film decreased from 100 to 40 nm. At T<300 K, hysteresis loops in polarization versus electric field were roughly symmetric. The BaTiO3 films grown on (100)SrRuO3/(100)MgO exhibit the largest remnant polarizations and coercive fields in the temperature range 100-380 K.

On the persistence of polar domains in ultrathin ferroelectric capacitors.

PubMed

Zubko, Pavlo; Lu, Haidong; Bark, Chung-Wung; Martí, Xavi; Santiso, José; Eom, Chang-Beom; Catalan, Gustau; Gruverman, Alexei

2017-07-19

The instability of ferroelectric ordering in ultra-thin films is one of the most important fundamental issues pertaining realization of a number of electronic devices with enhanced functionality, such as ferroelectric and multiferroic tunnel junctions or ferroelectric field effect transistors. In this paper, we investigate the polarization state of archetypal ultrathin (several nanometres) ferroelectric heterostructures: epitaxial single-crystalline BaTiO 3 films sandwiched between the most habitual perovskite electrodes, SrRuO 3 , on top of the most used perovskite substrate, SrTiO 3 . We use a combination of piezoresponse force microscopy, dielectric measurements and structural characterization to provide conclusive evidence for the ferroelectric nature of the relaxed polarization state in ultrathin BaTiO 3 capacitors. We show that even the high screening efficiency of SrRuO 3 electrodes is still insufficient to stabilize polarization in SrRuO 3 /BaTiO 3 /SrRuO 3 heterostructures at room temperature. We identify the key role of domain wall motion in determining the macroscopic electrical properties of ultrathin capacitors and discuss their dielectric response in the light of the recent interest in negative capacitance behaviour.

Synthesis and colloidal properties of anisotropic hydrothermal barium titanate

NASA Astrophysics Data System (ADS)

Yosenick, Timothy James

2005-11-01

Nanoparticles of high dielectric constant materials, especially BaTiO3, are required to achieve decreased layer thickness in multilayer ceramic capacitors (MLCCs). Tabular metal nanoparticles can produce thin metal layers with low surface roughness via electrophoretic deposition (EPD). To achieve similar results with dielectric layers requires the synthesis and dispersion of tabular BaTiO3 nanoparticles. The goal of this study was to investigate the deposition of thin BaTiO3 layers using a colloidal process. The synthesis, interfacial chemistry and colloidal properties of hydrothermal BaTiO3 a model particle system, was investigated. After characterization of the material system particulates were deposited to form thin layers using EPD. In the current study, the synthesis of BaTiO3 has been investigated using a hydrothermal route. TEM and AFM analyses show that the synthesized particles are single crystal with a majority of the particle having a <111> zone axis and {111} large face. The particles have a median thickness of 5.8 +/- 3.1 nm and face diameter of 27.1 +/- 12.3 nm. Particle growth was likely controlled by the formation of {111} twins and the synthesis pH which stabilizes the {111} face during growth. With limited growth in the <111> direction, the particles developed a plate-like morphology. Physical property characterization shows the powder was suitable for further processing with high purity, low hydrothermal defect concentration, and controlled stoichiometry. TEM observations of thermally treated powders indicate that the particles begin to loose the plate-like morphology by 900 °C. The aqueous passivation, dispersion, and doping of nanoscale BaTiO 3 powders was investigated. Passivation BaTiO3 was achieved through the addition of oxalic acid. The oxalic acid selectively adsorbs onto the particle surface and forms a chemically stable 2-3 nm layer of barium oxalate. The negative surface charge of the oxalate effectively passivated the BaTiO3 providing a surface suitable for the use of a cationic dispersant, polyethylenimine (PEI). Rheological properties indicate the presence of an oxalate-PEI interaction which can be detrimental to dispersion. With a better understanding of the aqueous surface chemistry of BaTiO3 the surface chemistry was manipulated to control the adsorption of aqueous soluble complexes of Co, Nb, and Bi, three common dopants in the processing of BaTiO3 Surface charge, TEM, and EDS analysis showed that while in suspension the dopants selectively absorbed onto the particle surface forming an engineered coating. (Abstract shortened by UMI.)

Synthesis of BaTiO3 and Ba(ZrxTi1-X)O3 by using the soft combustion method

NASA Astrophysics Data System (ADS)

Ahmad, Atiqah; Razak, Khairunisak Abdul

2017-07-01

In this work, barium titanate, BaTiO3 (BT) and Zr doped BT, BaZrxTi1-xO3 (BZT) with powders were successfully produced using the soft combustion method. Barium nitrate and titanium (IV) isopropoxide were used as the starting materials while zirconium (IV) oxynitrate hydrate as the doping precursors, and glycine as the combustion agent. The produced powders were pressed into 12 mm diameter pellets by using 150 MPa cold press. The effect of Zr dopant in BT was studied with molar ratio of x = 0.00, 0.03, 0.05, 0.08 and 0.10. The phase presence was identified using X-ray diffractometer. Morphology of powders and sintered pellets was observed using a scanning electron microscope. Density of the sintered pellets was measured by using Archimedes' principle, while dielectric properties were analysed by using an LCR meter. Pure perovskite BT and BZT structure were obtained after sintering at 1400 °C for 5 h. BZT with x = 0.03 has grain size of 3.9 µm and shows the highest dielectric constant of 525, compared to undoped BT that has the average grain size of 4.2 µm with dielectric constant 223. The results is in agreement with microstructure observation and density of the sample.

Improved Dielectric Properties and Energy Storage Density of Poly(vinylidene fluoride-co-hexafluoropropylene) Nanocomposite with Hydantoin Epoxy Resin Coated BaTiO3.

PubMed

Luo, Hang; Zhang, Dou; Jiang, Chao; Yuan, Xi; Chen, Chao; Zhou, Kechao

2015-04-22

Energy storage materials are urgently demanded in modern electric power supply and renewable energy systems. The introduction of inorganic fillers to polymer matrix represents a promising avenue for the development of high energy density storage materials, which combines the high dielectric constant of inorganic fillers with supernal dielectric strength of polymer matrix. However, agglomeration and phase separation of inorganic fillers in the polymer matrix remain the key barriers to promoting the practical applications of the composites for energy storage. Here, we developed a low-cost and environmentally friendly route to modifying BaTiO3 (BT) nanoparticles by a kind of water-soluble hydantoin epoxy resin. The modified BT nanoparticles exhibited homogeneous dispersion in the ferroelectric polymer poly(vinylidene fluoride-co-hexafluoropropylene) (P(VDF-HFP)) matrix and strong interfacial adhesion with the polymer matrix. The dielectric constants of the nanocomposites increased significantly with the increase of the coated BT loading, while the dielectric loss of the nanocomposites was still as low as that of the pure P(VDF-HFP). The energy storage density of the nanocomposites was largely enhanced with the coated BT loading at the same electric field. The nanocomposite with 20 vol % BT exhibited an estimated maximum energy density of 8.13 J cm(-3), which was much higher than that of pure P(VDF-HFP) and other dielectric polymers. The findings of this research could provide a feasible approach to produce high energy density materials for practical application in energy storage.

Characteristics of energy harvesting using BaTiO3/Cu laminates with changes in temperature

NASA Astrophysics Data System (ADS)

Mori, K.; Takeuchi, H.; Narita, F.

2018-03-01

The energy harvesting characteristics of piezoelectric/copper (BaTiO3/Cu) laminates rising from sharp temperature changes were investigated both numerically and experimentally. First, a phase field simulation was performed to determine the temperature-dependent piezoelectric coefficient and permittivity values. Then, the output voltages of the BaTiO3/Cu laminates were calculated for variations from room temperature to either a cryogenic temperature (77 K) or a higher temperature (333 K) using a 3D finite element simulation with the properties calculated from the phase field simulation. Finally, the output voltages of the piezoelectric BaTiO3/Cu laminates were measured for the same temperature changes and were compared to the simulation results.

Sintering and Microstructure of BaTiO3 Nano Particles Synthesized by Molten Salt Method.

PubMed

Lee, Chang-Hyun; Shin, Hyo-Soon; Yeo, Dong-Hun; Ha, Gook-Hyun; Nahm, Sahn

2016-05-01

In order to establish thinner dielectric layers in thick film electronic components such as MLCC (Multilayer ceramic capacitor), BaTiO3 nanoparticles have been utilized. However, studies on the synthesis of nanoparticles smaller than 20 nm, the characteristics of the BaTiO3 powder, and the powder's sintering are lacking. Therefore, this paper aims to synthesize BaTiO3 particles smaller than 20 nm by using the molten salt method and evaluate the microstructure and dielectric properties by varying the sintering temperature from 750 degrees C to 1200 degrees C. Through the molten salt method and by using KOH-KCl mixed salt, 20 nm BaTiO3 powder was synthesized at a low temperature of 150 degrees C. Sintering the pellets formed from the synthesized 20 nm BaTiO3 nano powder led to the observation of an unusual phenomenon where the particles grew to approximate sizes below 850 degrees C where densification progressed. At sintering temperatures above 950 degrees C, particles that expanded into rod shapes were observed and these particles were identified to be unreacted TiO2 based on the results of the EDX (Energy Dispersive X-ray Spectroscopy) analysis and phase analysis results.

Dielectric properties and microstructure of sintered BaTiO3 fabricated by using mixed 150-nm and 80-nm powders with various additives

NASA Astrophysics Data System (ADS)

Oh, Min Wook; Kang, Jae Won; Yeo, Dong Hun; Shin, Hyo Soon; Jeong, Dae Yong

2015-04-01

Recently, the use of small-sized BaTiO3 particles for ultra-thin MLCC research has increased as a method for minimizing the dielectric layer's thickness in thick film process. However, when particles smaller than 100 nm are used, the reduced particle size leads to a reduced dielectric constant. The use of nanoparticles, therefore, requires an increase in the amount of additive used due to the increase in the specific surface area, thus increasing the production cost. In this study, a novel method of coating 150-nm and 80-nm BaTiO3 powders with additives and mixing them together was employed, taking advantage of the effect obtained through the use of BaTiO3 particles smaller than 100 nm, to conveniently obtain the desired dielectric constant and thermal characteristics. Also, the microstructure and the dielectric properties were evaluated. The additives Dy, Mn, Mg, Si, and Cr were coated on a 150-nm powder, and the additives Dy, Mn, Mg, and Si were coated on 80-nm powder, followed by mixing at a ratio of 1:1. As a result, the microstructure revealed grain formation according to the liquid-phase additive Si; additionally, densification was well realized. However, non-reducibility was not obtained, and the material became a semiconductor. When the amount of added Mn in the 150-nm powder was increased to 0.2 and 0.3 mol%, insignificant changes in the microstructure were observed, and the bulk density after mixing was found to have increased drastically in comparison to that before mixing. Also, non-reducibility was obtained for certain conditions. The dielectric property was found to be consistent with the densification and the grain size. The mixed composition #1-0.3 had a dielectric constant over 2000, and the result somewhat satisfied the dielectric constant temperature dependency for X6S.

Effect of ferroelectric BaTiO3 particles on the threshold voltage of a smectic A liquid crystal.

PubMed

Imamaliyev, Abbas Rahim; Ramazanov, Mahammadali Ahmad; Humbatov, Shirkhan Arastun

2018-01-01

The influence of small ferroelectric BaTiO 3 particles on the planar-homeotropic transition threshold voltage in smectic A liquid crystals consisting of p -nitrophenyl p -decyloxybenzoate and 4-cyano-4'-pentylbiphenyl were studied by using capacitance-voltage ( C - V ) measurements. It was shown that the BaTiO 3 particles significantly reduce the threshold voltage. The obtained result is explained by two factors: an increase of dielectric anisotropy of the liquid crystals and the formation of a strong electric field near polarized particles of BaTiO 3 . It was shown that the role of the second factor is dominant. The explanations of some features observed in the C - V characteristics are given.

[Raman studies of nanocrystalline BaTiO3 ceramics].

PubMed

Xiao, Chang-jiang; Jin, Chang-qing; Wang, Xiao-hui

2008-12-01

High pressure can significantly increase the densification. Further, during the high pressure assisted sintering, the nucleation rate is increased due to reduced energy barrier and the growth rate is suppressed due to the decreased diffusivity. Thus high pressure enables the specimen to be fabricated with relatively lower temperature and shorter sintering period that assures to obtain dense nanocrystalline ceramics. Dense nanocrystalline BaTiO3 ceramics with uniform grain sizes of 60 and 30 nm, respectively, were obtained by pressure assisted sintering. The crystal structure and phase transitions were investigated by Raman scattering at temperatures ranging from -190 to 200 degrees C. The Raman results indicated that the evolution of Raman spectrum with grain size is characterized by an intensity decrease, a broadening of the line width, a frequency shift, and the disappearance of the Raman mode. With increasing temperature, similar to 3 mm BaTiO3 normal ceramics, the successive phase transitions from rhombohedral to orthorhombic, orthorhombic to tetragonal, and tetragonal to cubic were also observed in nanocrystalline BaTiO3 ceramics. In addition, when particle size is reduced to the nanoscale, one will find some unusual physical properties in nanocrystalline ceramics, compared with those of coarse-grained BaTiO3 ceramics. The different coexistences of multiphase were found at different temperature. Especially, the ferroelectric tetragonal and orthorhombic phase can coexist at room temperature in nanocrystalline BaTiO3 ceramics. The phenomenon can be explained by the internal stress. The coexistences of different ferroelectric phases at room temperature indicate that the critical grain size for the disappearance of ferroelectricity in nanocrystalline BaTiO3 ceramics fabricated by pressure assisted sintering is below 30 nm.

Role of A-site Ca and B-site Zr substitution in BaTiO3 lead-free compounds: Combined experimental and first principles density functional theoretical studies

NASA Astrophysics Data System (ADS)

Keswani, Bhavna C.; Saraf, Deepashri; Patil, S. I.; Kshirsagar, Anjali; James, A. R.; Kolekar, Y. D.; Ramana, C. V.

2018-05-01

We report on the combined experimental and theoretical simulation results of lead-free ferroelectrics, Ba(1-x)CaxTiO3 (x = 0.0-0.3) and BaTi(1-y)ZryO3 (y = 0.0-0.2), synthesized by standard solid state reaction method. First principles density functional calculations are used to investigate the electronic structure, dynamical charges, and spontaneous polarization of these compounds. In addition, the structural, ferroelectric, piezoelectric, and dielectric properties are studied using extensive experiments. The X-ray diffraction and temperature dependent Raman spectroscopy studies indicate that the calcium (Ca) substituted compositions exhibit a single phase crystal structure, while zirconium (Zr) substituted compositions are biphasic. The scanning electron micrographs reveal the uniform and highly dense microstructure. The presence of polarization-electric field and strain-electric field hysteresis loops confirms the ferroelectric and piezoelectric nature of all the compositions. Our results demonstrate higher values for polarization, percentage strain, piezoelectric coefficients, and electrostrictive coefficient compared to those existing in the literature. For smaller substitutions of Ca and Zr in BaTiO3, a direct piezoelectric coefficient (d33) is enhanced, while the highest d33 value (˜300 pC/N) is observed for BaTi0.96Zr0.04O3 due to the biphasic ferroelectric behavior. Calculation of Born effective charges indicates that doping with Ca or Zr increases the dynamical charges on Ti as well as on O and decreases the dynamical charge on Ba. An increase in the dynamical charges on Ti and O is ascribed to the increase in covalency of Ti-O bond that reduces the polarizability of the crystal. A broader range of temperatures is demonstrated to realize the stable phase in the Ca substituted compounds. The results indicate enhancement in the temperature range of applicability of these compounds for device applications. The combined theoretical and experimental study is expected to enhance the current scientific understanding of the lead-free ferroelectric materials.

Dielectric properties of Ni-coated BaTiO/sub 3-/PMMA composite.

PubMed

Park, Jung Min; Lee, Hee Young; Kim, Jeong-Joo; Park, Eun Tae; Chung, Yul-Kyo

2008-05-01

Dielectric properties of Ni-coated BaTiO(3)-PMMA (polymethyl methacrylate) composite were studied from an embedded capacitor application viewpoint. Volume loading of up to 50% was attempted, and the results were compared with uncoated BaTiO(3)-PMMA composite. Ni-coating on BaTiO(3) powder was found to greatly improve the dielectric properties of the composite, especially the dielectric constant value. K values of about 100 with temperature-stable X7E characteristics were realized.

Eu-doped BaTiO₃powder and film from sol-gel process with polyvinylpyrrolidone additive.

PubMed

García-Hernández, Margarita; García-Murillo, Antonieta; de J Carrillo-Romo, Felipe; Jaramillo-Vigueras, David; Chadeyron, Geneviève; De la Rosa, Elder; Boyer, Damien

2009-09-17

Transparent BaTiO(3):Eu(3+) films were prepared via a sol-gel method and dip-coating technique, using barium acetate, titanium butoxide, and polyvinylpyrrolidone (PVP) as modifier viscosity. BaTiO(3):Eu(3+) films ~500 nm thick, crystallized after thermal treatment at 700 masculineC. The powders revealed spherical and rod shape morphology. The optical quality of films showed a predominant band at 615 nm under 250 nm excitation. A preliminary luminescent test provided the properties of the Eu(3+) doped BaTiO(3).

Hydrothermal growth of highly textured BaTiO₃ films composed of nanowires.

PubMed

Zhou, Zhi; Lin, Yirong; Tang, Haixiong; Sodano, Henry A

2013-03-08

Textured barium titanate (BaTiO(3)) films are attracting immense research interest due to their lead-free composition and excellent piezoelectric and dielectric properties. Most synthesis methods for these films require a high temperature, leading to the formation of a secondary phase and an overall decrease in the electrical properties of the ceramic. In order to alleviate these issues, a novel fabrication method is introduced by transferring oriented rutile TiO(2) nanowires to a textured BaTiO(3) film at temperatures below 160 °C. The microstructure and thickness of the fabricated BaTiO(3) films were characterized by scanning electron microscopy, and the crystal structure and degree of orientation were evaluated by x-ray diffraction patterns using the Lotgering method. It is shown that the thickness of the BaTiO(3) film can be controlled by the length of TiO(2) nanowire array template, and the degree of orientation of the textured BaTiO(3) films is highly dependent on the film thickness; the crystallographic orientation has been measured to reach up to 87%. The relative dielectric constant (ε(r) = 1300) and ferroelectric properties (P(r) = 2.7 μC cm(-2), E(c) = 4.0 kV mm(-1)) of the textured BaTiO(3) films were also characterized to demonstrate their potential application in sensors, random access memory, and micro-electromechanical systems.

Carrier Density Modulation in Ge Heterostructure by Ferroelectric Switching

DOE PAGES

Ponath, Patrick; Fredrickson, Kurt; Posadas, Agham B.; ...

2015-01-14

The development of nonvolatile logic through direct coupling of spontaneous ferroelectric polarization with semiconductor charge carriers is nontrivial, with many issues, including epitaxial ferroelectric growth, demonstration of ferroelectric switching, and measurable semiconductor modulation. Here we report a true ferroelectric field effect carrier density modulation in an underlying Ge(001) substrate by switching of the ferroelectric polarization in the epitaxial c-axis-oriented BaTiO3 (BTO) grown by molecular beam epitaxy (MBE) on Ge. Using density functional theory, we demonstrate that switching of BTO polarization results in a large electric potential change in Ge. Aberration-corrected electron microscopy confirms the interface sharpness, and BTO tetragonality. Electron-energy-lossmore » spectroscopy (EELS) indicates the absence of any low permittivity interlayer at the interface with Ge. Using piezoelectric force microscopy (PFM), we confirm the presence of fully switchable, stable ferroelectric polarization in BTO that appears to be single domain. Using microwave impedance microscopy (MIM), we clearly demonstrate a ferroelectric field effect.« less

Optical properties of BaTiO3 nanoparticles and silver nanoprisms in polymer host matrices

NASA Astrophysics Data System (ADS)

Requena, Sebastian

Nanocomposites are materials comprised of a host matrix, such as glass or polymer, with embedded nanoparticles. Embedding nanoparticles into the host makes it possible to create materials with properties that are distinctly unique from those of their host and nanoparticle constituents. Nanocomposites can have superior mechanical, thermal, and optical properties compared to their host materials. We characterized the photoluminescent properties of BaTiO3 polymer nanocomposites and the effects of chemically modifying the nanoparticles surface on said properties. BaTiO3 nanopowders of average grain sizes 50 nm and 100 nm were functionalized by (3-aminopropyl)triethoxysilane (3APTS) and mixed with poly(methyl methacrylate)/toluene solution. The nanocomposites films morphology and chemical structure were studied via AFM and FTIR. The photoluminescence spectrum of the pure nanoparticles was composed of an emission at ˜3.0 eV and multiple bands centered at ˜2.5 eV. Surface functionalization of the BaTiO3 nanoparticles via 3APTS increased overall luminescence at room temperature while only enhancing the ˜3.0 eV emission at low-temperature. On the other hand, polymer coating of the functionalized nanoparticles significantly enhances ˜3.0 eV emissions while decreasing emissions associated with near-surface lattice distortions at ˜2.5 eV. Chemical modification of the surface with 3APTS and PMMA presents a pathway to tune and control the photoluminescent properties of BTO nanoparticles. We also present optical studies of two different size distributions of silver triangular nanoprisms, one with a dipole resonance at ˜520 nm and the other with a dipole resonance at ˜650 nm, placed in different media. The silver nanoprisms were embedded in a polyvinyl alcohol (PVA) polymer matrix and oriented by stretching the polymer/nanoprism nanocomposite films. We observe significantly increased linear dichroism in the region associated with the plasmonic in-plane dipole mode upon stretching. Additionally, there is a weaker linear dichroism in the region associated with out-of-plane modes, which vanish in the extinction spectrum of the stretched nanocomposite film. Our results show that these silver nanoprisms are promising as key components in wavelength-specific depolarizers and depolarization-based assays.

Effect of ferroelectric BaTiO3 particles on the threshold voltage of a smectic A liquid crystal

PubMed Central

Imamaliyev, Abbas Rahim; Ramazanov, Mahammadali Ahmad

2018-01-01

The influence of small ferroelectric BaTiO3 particles on the planar–homeotropic transition threshold voltage in smectic A liquid crystals consisting of p-nitrophenyl p-decyloxybenzoate and 4-cyano-4′-pentylbiphenyl were studied by using capacitance–voltage (C–V) measurements. It was shown that the BaTiO3 particles significantly reduce the threshold voltage. The obtained result is explained by two factors: an increase of dielectric anisotropy of the liquid crystals and the formation of a strong electric field near polarized particles of BaTiO3. It was shown that the role of the second factor is dominant. The explanations of some features observed in the C–V characteristics are given. PMID:29600143

DFT study of the polarization behaviors of various distorted barium titanate crystals: The role of atomic displacements

NASA Astrophysics Data System (ADS)

Mirseraji, Mojtaba; Shahraki, Mehran Gholipour

2018-06-01

A Local Density Approximation (LDA) was employed to investigate the influence of applied strains on valence charge distributions, atomic displacements, Tisbnd O (3) bond distances and the total polarizations in barium titanate (BaTiO3). Four types of various strains were imposed on perfect tetragonal BaTiO3 along the a, c, ab and abc axial directions. Electromechanical properties of BaTiO3 were evaluated in LDA framework and a good agreement with previous results was achieved. The results show that, in the cases of a, ab strains, the values of polarization are almost constant in negative strains and increased by gradual increasing of the positive strains after a sudden enhancement at about +0.1% strain. In the case of c-strain, axial oxygen and Ti atoms underwent the highest displacements and the polarization linearly increased by applied strain. The case of abc-strain, represent the both types of features. In negative abc-strain show a similar polarization behavior like c-strain case and in positive region, polarization behavior is the same as a- and ab-strain cases. In the abc-strains of -0.3% and +0.1%, an abrupt jump in total polarization curve and a small change, are observed due to abnormal atomic displacements. In the most cases a direct relation between polarization and Tisbnd O (3) bond distance was also beheld. Finally, the effects of valence charge distributions on the atomic displacements and total polarizations are studied. It is found that there is a direct relation between polarization and Valence Charge Asymmetry of 3d -orbitals.

Reactive Atmosphere Processing of BaTiO(3) and Origins of Its Photorefractive Effect

DTIC Science & Technology

1989-04-01

BaTiO3 structure. Dickinson et al.10 prepared a series of compounds in which various amounts of primarily trivalent metals (Ti 3+ , V, Cr, Mn, Fe, Co...which was contained in a capillary tube mounted next to the BaTiO3 sample. The chromium sample was calibrated against a Varian 3.3x10-47 pitch on KCI...3 1 (13) where M is a trivalent metal ion and [V02+]I is the impurity- related concentration of oxygen vacancies. Note that the charge of the metal

Polymer Nanocomposites As Future Materials For Defense & Energy Applications-High Energy Density Storage Systems With Reduced Size And Weight For Pulse Power Applications

DTIC Science & Technology

2011-11-21

Std Z39-18 Sol-Gel CCTO /P(VDF-HFP) Composites with High Energy Density During the previous reporting period we found that CCTO (CaCu3Ti4O12...composites containing CCTO synthesized by the standard solid-state route. At the optimal 20 vol% CCTO loading, our CCTO -P(VDF-HFP) composite has εr ~82 at...Ceramics such as BaTiO3 or CaCu3Ti4O12 ( CCTO ) have high dielectric permittivities, but they suffer from very low breakdown field strength and thus low

Strong polarization enhancement in asymmetric three-component ferroelectric superlattices

NASA Astrophysics Data System (ADS)

Lee, Ho Nyung; Christen, Hans M.; Chisholm, Matthew F.; Rouleau, Christopher M.; Lowndes, Douglas H.

2005-01-01

Theoretical predictions-motivated by recent advances in epitaxial engineering-indicate a wealth of complex behaviour arising in superlattices of perovskite-type metal oxides. These include the enhancement of polarization by strain and the possibility of asymmetric properties in three-component superlattices. Here we fabricate superlattices consisting of barium titanate (BaTiO3), strontium titanate (SrTiO3) and calcium titanate (CaTiO3) with atomic-scale control by high-pressure pulsed laser deposition on conducting, atomically flat strontium ruthenate (SrRuO3) layers. The strain in BaTiO3 layers is fully maintained as long as the BaTiO3 thickness does not exceed the combined thicknesses of the CaTiO3 and SrTiO3 layers. By preserving full strain and combining heterointerfacial couplings, we find an overall 50% enhancement of the superlattice global polarization with respect to similarly grown pure BaTiO3, despite the fact that half the layers in the superlattice are nominally non-ferroelectric. We further show that even superlattices containing only single-unit-cell layers of BaTiO3 in a paraelectric matrix remain ferroelectric. Our data reveal that the specific interface structure and local asymmetries play an unexpected role in the polarization enhancement.

Solvothermal synthesis and controlled self-assembly of monodisperse titanium-based perovskite colloidal nanocrystals

NASA Astrophysics Data System (ADS)

Caruntu, Daniela; Rostamzadeh, Taha; Costanzo, Tommaso; Salemizadeh Parizi, Saman; Caruntu, Gabriel

2015-07-01

The rational design of monodisperse ferroelectric nanocrystals with controlled size and shape and their organization into hierarchical structures has been a critical step for understanding the polar ordering in nanoscale ferroelectrics, as well as the design of nanocrystal-based functional materials which harness the properties of individual nanoparticles and the collective interactions between them. We report here on the synthesis and self-assembly of aggregate-free, single-crystalline titanium-based perovskite nanoparticles with controlled morphology and surface composition by using a simple, easily scalable and highly versatile colloidal route. Single-crystalline, non-aggregated BaTiO3 colloidal nanocrystals, used as a model system, have been prepared under solvothermal conditions at temperatures as low as 180 °C. The shape of the nanocrystals was tuned from spheroidal to cubic upon changing the polarity of the solvent, whereas their size was varied from 16 to 30 nm for spheres and 5 to 78 nm for cubes by changing the concentration of the precursors and the reaction time, respectively. The hydrophobic, oleic acid-passivated nanoparticles exhibit very good solubility in non-polar solvents and can be rendered dispersible in polar solvents by a simple process involving the oxidative cleavage of the double bond upon treating the nanopowders with the Lemieux-von Rudloff reagent. Lattice dynamic analysis indicated that regardless of their size, BaTiO3 nanocrystals present local disorder within the perovskite unit cell, associated with the existence of polar ordering. We also demonstrate for the first time that, in addition to being used for fabricating large area, crack-free, highly uniform films, BaTiO3 nanocubes can serve as building blocks for the design of 2D and 3D mesoscale structures, such as superlattices and superparticles. Interestingly, the type of superlattice structure (simple cubic or face centered cubic) appears to be determined by the type of solvent in which the nanocrystals were dispersed. This approach provides an excellent platform for the synthesis of other titanium-based perovskite colloidal nanocrystals with controlled chemical composition, surface structure and morphology and for their assembly into complex architectures, therefore opening the door for the design of novel mesoscale functional materials/nanocomposites with potential applications in energy conversion, data storage and the biomedical field.The rational design of monodisperse ferroelectric nanocrystals with controlled size and shape and their organization into hierarchical structures has been a critical step for understanding the polar ordering in nanoscale ferroelectrics, as well as the design of nanocrystal-based functional materials which harness the properties of individual nanoparticles and the collective interactions between them. We report here on the synthesis and self-assembly of aggregate-free, single-crystalline titanium-based perovskite nanoparticles with controlled morphology and surface composition by using a simple, easily scalable and highly versatile colloidal route. Single-crystalline, non-aggregated BaTiO3 colloidal nanocrystals, used as a model system, have been prepared under solvothermal conditions at temperatures as low as 180 °C. The shape of the nanocrystals was tuned from spheroidal to cubic upon changing the polarity of the solvent, whereas their size was varied from 16 to 30 nm for spheres and 5 to 78 nm for cubes by changing the concentration of the precursors and the reaction time, respectively. The hydrophobic, oleic acid-passivated nanoparticles exhibit very good solubility in non-polar solvents and can be rendered dispersible in polar solvents by a simple process involving the oxidative cleavage of the double bond upon treating the nanopowders with the Lemieux-von Rudloff reagent. Lattice dynamic analysis indicated that regardless of their size, BaTiO3 nanocrystals present local disorder within the perovskite unit cell, associated with the existence of polar ordering. We also demonstrate for the first time that, in addition to being used for fabricating large area, crack-free, highly uniform films, BaTiO3 nanocubes can serve as building blocks for the design of 2D and 3D mesoscale structures, such as superlattices and superparticles. Interestingly, the type of superlattice structure (simple cubic or face centered cubic) appears to be determined by the type of solvent in which the nanocrystals were dispersed. This approach provides an excellent platform for the synthesis of other titanium-based perovskite colloidal nanocrystals with controlled chemical composition, surface structure and morphology and for their assembly into complex architectures, therefore opening the door for the design of novel mesoscale functional materials/nanocomposites with potential applications in energy conversion, data storage and the biomedical field. Electronic supplementary information (ESI) available: FE-SEM image of 12 nm BaTiO3 nanocubes deposited onto a silicon wafer (Fig. SI1), the X-ray diffraction pattern of a superlattice structure formed by monodisperse 10 nm BaTiO3 cuboidal nanocrystals (Fig. SI2) and TEM images of a BaTiO3 superparticle (Fig. SI3). See DOI: 10.1039/c5nr00737b

Single-crystal-like, c-axis oriented BaTiO3 thin films with high-performance on flexible metal templates for ferroelectric applications

NASA Astrophysics Data System (ADS)

Shin, Junsoo; Goyal, Amit; Jesse, Stephen; Kim, Dae Ho

2009-06-01

Epitaxial, c-axis oriented BaTiO3 thin films were deposited using pulsed laser ablation on flexible, polycrystalline Ni alloy tape with biaxially textured oxide buffer multilayers. The high quality of epitaxial BaTiO3 thin films with P4mm group symmetry was confirmed by x-ray diffraction. The microscopic ferroelectric domain structure and the piezoelectric domain switching in these films were confirmed via spatially resolved piezoresponse mapping and local hysteresis loops. Macroscopic measurements demonstrate that the films have well-saturated hysteresis loops with a high remanent polarization of ˜11.5 μC/cm2. Such high-quality, single-crystal-like BaTiO3 films on low-cost, polycrystalline, flexible Ni alloy substrates are attractive for applications in flexible lead-free ferroelectric devices.

Conduction Mechanisms in Multiferroic Multilayer BaTiO3/NiFe2O4/BaTiO3 Memristors

NASA Astrophysics Data System (ADS)

Samardzic, N.; Bajac, B.; Srdic, V. V.; Stojanovic, G. M.

2017-10-01

Memristive devices and materials are extensively studied as they offer diverse properties and applications in digital, analog and bio-inspired circuits. In this paper, we present an important class of memristors, multiferroic memristors, which are composed of multiferroic multilayer BaTiO3/NiFe2O4/BaTiO3 thin films, fabricated by a spin-coating deposition technique on platinized Si wafers. This cost-effective device shows symmetric and reproducible current-voltage characteristics for the actuating voltage amplitude of ±10 V. The origin of the conduction mechanism was investigated by measuring the electrical response in different voltage and temperature conditions. The results indicate the existence of two mechanisms: thermionic emission and Fowler-Nordheim tunnelling, which alternate with actuating voltage amplitude and operating temperature.

Electromechanical behavior of [001]-textured Pb(Mg1/3Nb2/3)O3-PbTiO3 ceramics

NASA Astrophysics Data System (ADS)

Yan, Yongke; Wang, Yu. U.; Priya, Shashank

2012-05-01

[001]-textured Pb(Mg1/3Nb2/3)O3-PbTiO3 (PMN-PT) ceramics were synthesized by using templated grain growth method. Significantly high [001] texture degree corresponding to 0.98 Lotgering factor was achieved at 1 vol. % BaTiO3 template. Electromechanical properties for [001]-textured PMN-PT ceramics with 1 vol. % BaTiO3 were found to be d33 = 1000 pC/N, d31 = 371 pC/N, ɛr = 2591, and tanδ = ˜0.6%. Elastoelectric composite based modeling results showed that higher volume fraction of template reduces the overall dielectric constant and thus has adverse effect on the piezoelectric response. Clamping effect was modeled by deriving the changes in free energy as a function of applied electric field and microstructural boundary condition.

Molten Salt Synthesis and Structural Characterization of BaTiO3 Nanocrystal Ceramics

NASA Astrophysics Data System (ADS)

Ahda, S.; Misfadhila, S.; Parikin, P.; Putra, T. Y. S. P.

2017-02-01

A new synthesis route to obtain high-purity barium titanate powder, BaTiO3, using the molten salt method by reacting the raw materials (BaCO3 and TiO2) in an atmosphere of molten NaCl and KCl, has been developed. The synthesized BaTiO3 ceramic particles have been successfully carried out at the sintering temperature 950°C for 4 hours. The Rietveld refinement of the XRD diffraction patterns was employed to characterize the structural information of the nanocrystalline BaTiO3 ceramics. The lattice parameters (a=4.0043 Å, b=4.0308Å with space group P4mm) of tetragonal perovskite structure, as an indication of piezoelectric characteristics, have been successfully determined by the Rietveld refinement. While the crystallitte particle size and strains have been obtained for the values of 110.6 nm and 0.74 % respectively

High dielectric constant and energy density induced by the tunable TiO2 interfacial buffer layer in PVDF nanocomposite contained with core-shell structured TiO2@BaTiO3 nanoparticles

NASA Astrophysics Data System (ADS)

Hu, Penghao; Jia, Zhuye; Shen, Zhonghui; Wang, Peng; Liu, Xiaoru

2018-05-01

To realize application in high-capacity capacitors and portable electric devices, large energy density is eagerly desired for polymer-based nanocomposite. The core-shell structured nanofillers with inorganic buffer layer are recently supposed to be promising in improving the dielectric property of polymer nanocomposite. In this work, core-shell structured TO@BT nanoparticles with crystalline TiO2 buffer layer coated on BaTiO3 nanoparticle were fabricated via solution method and heat treatment. The thickness of the TO buffer layer can be tailored by modulating the additive amount of the titanate coupling agent in preparation process, and the apparent dielectric properties of nanocomposite are much related to the thickness of the TO layer. The relatively thin TO layer prefer to generate high polarization to increase dielectric constant while the relatively thick TO layer would rather to homogenize field to maintain breakdown strength. Simulation of electric field distribution in the interfacial region reveals the improving effect of the TO buffer layer on the dielectric properties of nanocomposite which accords with the experimental results well. The optimized nanoparticle TO@BT-2 with a mean thickness of 3-5 nm buffer layer of TO is effective in increasing both the ε and Eb in the PVDF composite film. The maximal discharged energy density of 8.78 J/cm3 with high energy efficiency above 0.6 is obtained in TO@BT-2/PVDF nanocomposite with 2.5 vol% loading close to the breakdown strength of 380 kV/mm. The present study demonstrates the approach to optimize the structure of core-shell nanoparticles by modulating buffer layer and provides a new way to further enlarge energy density in polymer nanocomposite.

Nanocrystalline ferroelectric BaTiO3/Pt/fused silica for implants synthetized by pulsed laser deposition method

NASA Astrophysics Data System (ADS)

Jelínek, Miroslav; Drahokoupil, Jan; Jurek, Karel; Kocourek, Tomáš; Vaněk, Přemysl

2017-09-01

The thin-films of BaTiO3 (BTO)/Pt were prepared to test their potential as coatings for titanium-alloy implants. The nanocrystalline BTO/Pt bi-layers were successfully synthesized using fused silica as substrates. The bi-layers were prepared using KrF excimer laser ablation at substrate temperatures (Ts) ranging from 650 °C to 750 °C. The microstructure and composition of the deposits were investigated by scanning electron microscope, x-ray diffraction and wavelength dispersive x-ray spectroscopy methods. The electrical characterization of the Pt/BTO/Pt capacitors indicated ferroelectric-type response in BTO films containing (40-140) nm-sized grains. The technology, microstructure, and functional response of the layers are presented in detail.

Raman tensor elements for tetragonal BaTiO3 and their use for in-plane domain texture assessments

NASA Astrophysics Data System (ADS)

Deluca, Marco; Higashino, Masayuki; Pezzotti, Giuseppe

2007-08-01

A quantitative assessment of c-axis oriented domains in a textured BaTiO3 (BT) single crystal has been carried out by polarized Raman microprobe spectroscopy. The relative intensity modulation of the Raman phonon modes has been theoretically modeled as a function of crystal rotation and linked to the volume fraction of c-axis oriented domains. Raman tensor elements have also been experimentally determined for the Ag and B1 vibrational modes. As an application, the internal in-plane texture and the volume fraction of c-oriented domains in the BT single crystal have been nondestructively visualized by monitoring the relative intensity of Ag and B1 Raman modes.

Syntheses of nanocrystalline BaTiO3 and their optical properties

NASA Astrophysics Data System (ADS)

Yu, J.; Chu, J.; Zhang, M.

Stoichiometric and titanium-excess nanocrystalline barium titanates were synthesized using a hydrothermal process at various hydrothermal temperatures and with further heat treatment at 500 °C and 900 °C. Owing to the different process conditions, the excess titanium exists in different states and configurations within the nanocrystalline BaTiO3 matrix; this was demonstrated by X-ray diffraction, Raman scattering, and photoluminescence. In these nanocrystalline BaTiO3, the 590, 571, 543 and 694 nm light emission bands were observed; mechanisms leading to such emissions were also discussed.

Photovoltaic properties of ferroelectric BaTiO3 thin films RF sputter deposited on silicon

NASA Technical Reports Server (NTRS)

Dharmadhikari, V. S.; Grannemann, W. W.

1982-01-01

Ferroelectric thin films of BaTiO3 have been successfully deposited on n-type silicon substrates at temperatures above 500 C by RF sputtering in an O2/Ar atmosphere. Analysis by X-ray diffraction patterns show that films deposited at room temperature are amorphous. At temperatures above 500 C, crystalline BaTiO3 films with a tetragonal structure are obtained. The polarization-electric field (P-E) hysteresis loops and a broad peak in the dielectric constant versus temperature curve at Curie point indicate that the RF sputtered BaTiO3 films are ferroelectric. An anomalous photovoltaic effect is observed in these thin films which is related to the remanent polarization of the material. The results on open-circuit and short-circuit measurements provide an important basis for a better understanding of the role of photovoltaic field, photovoltaic current, and the pyroelectric properties in photoferroelectric domain switching.

Structural evolution across the insulator-metal transition in oxygen-deficient BaTiO 3-δ studied using neutron total scattering and Rietveld analysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jeong, I.-K.; Lee, Seunghun; Jeong, Se-Young

2011-08-29

Oxygen-deficient BaTiO 3-δ exhibits an insulator-metal transition with increasing δ. We performed neutron total scattering measurements to study structural evolution across an insulator-metal transition in BaTiO 3-δ. Despite its significant impact on resistivity, slight oxygen reduction (δ=0.09) caused only a small disturbance on the local doublet splitting of Ti-O bond. This finding implies that local polarization is well preserved under marginal electric conduction. In the highly oxygen-deficient metallic state (δ=0.25), however, doublet splitting of the Ti-O bond became smeared. The smearing of the local Ti-O doublet is complemented with long-range structural analysis and demonstrates that the metallic conduction in themore » highly oxygen-reduced BaTiO 3-δ is due to the appearance of nonferroelectric cubic lattice.« less

Flux Growth of Highly Crystalline Photocatalytic BaTiO3 Particle Layers on Porous Titanium Sponge Substrate and Insights into the Formation Mechanism

NASA Astrophysics Data System (ADS)

Wang, Q.; Li, B.

2017-09-01

A unique architecture of idiomorphic and highly crystalline BaTiO3 particle layers directly grown on a porous titanium sponge substrate was successfully achieved for the first time using a facile molten salt method at a relatively low temperature of 700 °C. Specifically, the low-melting KCl-NaCl eutectic salts and barium hydroxide octahydrate were employed as the reaction medium and barium source, respectively. Powder X-ray diffraction (XRD), scanning electron microscopy (SEM), Energy dispersive X-ray spectroscopy (EDS), transmission electron microscopy (TEM), high-resolution transmission electron microscopy (HRTEM) and UV-vis diffuse reflectance spectrophotometry were used to characterize the structure, morphology and optical property of the obtained samples. The results revealed that the flux-grown tetragonal BaTiO3 products had well-defined and uniform morphology with an average size of 300 nm and a band gap of ∼3.16 eV. Based on XRD, EDS, SEM, and TEM, the possible formation mechanism responsible for the well-developed architecture of BaTiO3 particle layers was proposed and discussed. Furthermore, the photocatalytic activity of the flux-grown BaTiO3 products for organic pollutant degradation under simulated sunlight irradiation was also investigated.

Reliability Studies of Ceramic Capacitors.

DTIC Science & Technology

1984-10-01

Virginia Polytechnic BaTiO 3 Ispecimens with variable composition, density and grain size to be used to make carrier concentration, mobility, thermoelectric ...low fields, observed steady-state electrical behavior will be controlled by the bulk properties of the insulator, the second phase of the conduction...carrier mobility E =applied field Note that bulk properties of the Insulator control the conduction process. From this equation it can be seen that a

Phase separation enhanced magneto-electric coupling in La0.7Ca0.3MnO3/BaTiO3 ultra-thin films

PubMed Central

Alberca, A.; Munuera, C.; Azpeitia, J.; Kirby, B.; Nemes, N. M.; Perez-Muñoz, A. M.; Tornos, J.; Mompean, F. J.; Leon, C.; Santamaria, J.; Garcia-Hernandez, M.

2015-01-01

We study the origin of the magnetoelectric coupling in manganite films on ferroelectric substrates. We find large magnetoelectric coupling in La0.7Ca0.3MnO3/BaTiO3 ultra-thin films in experiments based on the converse magnetoelectric effect. The magnetization changes by around 30–40% upon applying electric fields on the order of 1 kV/cm to the BaTiO3 substrate, corresponding to magnetoelectric coupling constants on the order of α = (2–5)·10−7 s/m. Magnetic anisotropy is also affected by the electric field induced strain, resulting in a considerable reduction of coercive fields. We compare the magnetoelectric effect in pre-poled and unpoled BaTiO3 substrates. Polarized neutron reflectometry reveals a two-layer behavior with a depressed magnetic layer of around 30 Å at the interface. Magnetic force microscopy (MFM) shows a granular magnetic structure of the La0.7Ca0.3MnO3. The magnetic granularity of the La0.7Ca0.3MnO3 film and the robust magnetoelastic coupling at the La0.7Ca0.3MnO3/BaTiO3 interface are at the origin of the large magnetoelectric coupling, which is enhanced by phase separation in the manganite. PMID:26648002

Direct synthesis of ultrafine tetragonal BaTiO3 nanoparticles at room temperature

PubMed Central

2011-01-01

A large quantity of ultrafine tetragonal barium titanate (BaTiO3) nanoparticles is directly synthesized at room temperature. The crystalline form and grain size are checked by both X-ray diffraction and transmission electron microscopy. The results revealed that the perovskite nanoparticles as fine as 7 nm have been synthesized. The phase transition of the as-prepared nanoparticles is investigated by the temperature-dependent Raman spectrum and shows the similar tendency to that of bulk BaTiO3 materials. It is confirmed that the nanoparticles have tetragonal phase at room temperature. PMID:21781339

Effect of surface moisture on dielectric behavior of ultrafine BaTiO3 particulates.

NASA Technical Reports Server (NTRS)

Mountvala, A. J.

1971-01-01

The effects of adsorbed H2O on the dielectric properties of ultrafine BaTiO3 particulates of varying particle size and environmental history were determined. The dielectric behavior depends strongly on surface hydration. No particle size dependence of dielectric constant was found for dehydroxylated surfaces in ultrafine particulate (unsintered) BaTiO3 materials. For equivalent particle sizes, the ac conductivity is sensitive to surface morphology. Reactions with H2O vapor appear to account for the variations in dielectric properties. Surface dehydration was effectively accomplished by washing as-received powders in isopropanol.

Piezoelectric anisotropy and energy-harvesting characteristics of novel sandwich layer BaTiO3 structures

NASA Astrophysics Data System (ADS)

Roscow, James I.; Topolov, Vitaly Yu; Taylor, John T.; Bowen, Christopher R.

2017-10-01

This paper presents a detailed modelling and experimental study of the piezoelectric and dielectric properties of novel ferroelectric sandwich layer BaTiO3 structures that consist of an inner porous layer and dense outer layers. The dependencies of the piezoelectric coefficients {d}3j* and dielectric permittivity {\\varepsilon }33* σ of the sandwich structure on the bulk relative density α are analysed by taking into account an inner layer with a porosity volume fraction of 0.5-0.6. The observed changes in {d}3j* and {\\varepsilon }33* σ are interpreted within the framework of a model of a laminar structure whereby the electromechanical interaction of the inner porous layer and outer dense layers have an important role in determining the effective properties of the system. The porous layer is represented as a piezocomposite with a 1-3-0 connectivity pattern, and the composite is considered as a system of long poled ceramic rods with 1-3 connectivity which are surrounded by an unpoled ceramic matrix that contains a system of oblate air pores (3-0 connectivity). The outer monolithic is considered as a dense poled ceramic, however its electromechanical properties differ from those of the ceramic rods in the porous layer due to different levels of mobility of 90° domain walls in ceramic grains. A large anisotropy of {d}3j* at α = 0.64-0.86 is achieved due to the difference in the properties of the porous and monolithic layers and the presence of highly oblate air pores. As a consequence, high energy-harvesting figures of merit {d}3j* {g}3j* are achieved that obey the condition {d}33* {g}33* /({d}31* {g}31* )˜ {10}2 at {d}33* {g}33* ˜ {10}-12 {{{Pa}}}-1, and values of the hydrostatic piezoelectric coefficients {d}h* ≈ 100 {{pC}} {{{N}}}-1 and {g}h* ≈ 20 {{mV}} {{m}} {{{N}}}-1 are achieved at α= 0.64-0.70. The studied BaTiO3-based sandwich structures has advantages over highly anisotropic PbTiO3-type ceramics as a result of the higher piezoelectric activity of ceramic BaTiO3 and can be used in piezoelectric sensor, energy-harvesting and related applications.

Ferroelectric and multiferroic domain imaging by Laser-induced photoemission microscopy

NASA Astrophysics Data System (ADS)

Hoefer, Anke; Fechner, Michael; Duncker, Klaus; Mertig, Ingrid; Widdra, Wolf

2013-03-01

The ferroelectric as well as multiferroic surface domain structures of BaTiO3(001) and BiFeO3(001) are imaged based on photoemission electron microscopy (PEEM) by femtosecond laser threshold excitation under UHV conditions. For well-prepared BaTiO3(001), three ferroelectric domain types are clearly discriminable due to work function differences. At room temperature, the surface domains resemble the known ferroelectric domain structure of the bulk. Upon heating above the Curie point of 400 K, the specific surface domain pattern remains up to 500 K. Ab-initio calculations explain this observation by a remaining tetragonal distortion of the topmost unit cells stabilized by a surface relaxation. The (001) surface of the single-phase multiferroic BiFeO3 which is ferroelectric and antiferromagnetic, shows clear ferroelectric work function contrast in PEEM. Additionally, the multiferroic domains show significant linear dichroism. The observation of a varying dichroism for different ferroelectric domains can be explained based on the coupled ferroelectric-antiferromagnetic order in BiFeO3. It demonstrates multiferroic imaging of different domain types within a single, lab-based experiment.

Multiple Interfacial Fe3O4@BaTiO3/P(VDF-HFP) Core-Shell-Matrix Films with Internal Barrier Layer Capacitor (IBLC) Effects and High Energy Storage Density.

PubMed

Zhou, Ling; Fu, Qiuyun; Xue, Fei; Tang, Xiahui; Zhou, Dongxiang; Tian, Yahui; Wang, Geng; Wang, Chaohong; Gou, Haibo; Xu, Lei

2017-11-22

Flexible nanocomposites composed of high dielectric constant fillers and polymer matrix have shown great potential for electrostatic capacitors and energy storage applications. To obtain the composited material with high dielectric constant and high breakdown strength, multi-interfacial composited particles, which composed of conductive cores and insulating shells and possessed the internal barrier layer capacitor (IBLC) effect, were adopted as fillers. Thus, Fe 3 O 4 @BaTiO 3 core-shell particles were prepared and loaded into the poly(vinylidene fluoride-co-hexafluoropropylene) (P(VDF-HFP)) polymer matrix. As the mass fraction of core-shell fillers increased from 2.5 wt % to 30 wt %, the dielectric constant of the films increased, while the loss tangent remained at a low level (<0.05 at 1 kHz). Both high electric displacement and high electric breakdown strength were achieved in the films with 10 wt % core-shell fillers loaded. The maximum energy storage density of 7.018 J/cm 3 was measured at 2350 kV/cm, which shows significant enhancement than those of the pure P(VDF-HFP) films and analogous composited films with converse insulating-conductive core-shell fillers. A Maxwell-Wagner capacitor model was also adopted to interpret the efficiency of IBLC effects on the suppressed loss tangent and the superior breakdown strength. This work explored an effective approach to prepare dielectric nanocomposites for energy storage applications experimentally and theoretically.

Surface reaction characteristics at low temperature synthesis BaTiO 3 particles by barium hydroxide aqueous solution and titanium tetraisopropoxide

NASA Astrophysics Data System (ADS)

Zeng, Min

2011-05-01

Well-crystallized cubic phase BaTiO 3 particles were prepared by heating the mixture of barium hydroxide aqueous solution and titania derived from the hydrolysis of titanium isopropoxide (TTIP) at 328 K, 348 K or 368 K for 24 h. The morphology and size of obtained particles depended on the reaction temperature and the Ba(OH) 2/TTIP molar ratio. By the direct hydrolytic reaction of titanium tetraisopropoxide, the high surface area titania (TiO 2) was obtained. The surface adsorption characteristics of the titania particles had been studied with different electric charges OH - ions or H + ions. The formation mechanism and kinetics of BaTiO 3 were examined by measuring the concentration of [Ba 2+] ions in the solution during the heating process. The experimental results showed that the heterogeneous nucleation of BaTiO 3 occurred on the titania surface, according to the Avrami's equation.

Four-state non-volatile memory in a multiferroic spin filter tunnel junction

NASA Astrophysics Data System (ADS)

Ruan, Jieji; Li, Chen; Yuan, Zhoushen; Wang, Peng; Li, Aidong; Wu, Di

2016-12-01

We report a spin filter type multiferroic tunnel junction with a ferromagnetic/ferroelectric bilayer barrier. Memory functions of a spin filter magnetic tunnel junction and a ferroelectric tunnel junction are combined in this single device, producing four non-volatile resistive states that can be read out in a non-destructive manner. This concept is demonstrated in a LaNiO3/Pr0.8Ca0.2MnO3/BaTiO3/La0.7Sr0.3MnO3 all-oxide tunnel junction. The ferromagnetic insulator Pr0.8Ca0.2MnO3 serves as the spin filter and the ferromagnetic metal La0.7Sr0.3MnO3 is the spin analyzer. The ferroelectric polarization reversal in the BaTiO3 barrier switches the tunneling barrier height to produce a tunneling electroresistance. The ferroelectric switching also modulates the spin polarization and the spin filtering efficiency in Pr0.8Ca0.2MnO3.

Magneto electric effects in BaTiO3-CoFe2O4 bulk composites

NASA Astrophysics Data System (ADS)

Agarwal, Shivani; Caltun, O. F.; Sreenivas, K.

2012-11-01

Influence of a static magnetic field (HDC) on the hysteresis and remanence in the longitudinal and transverse magneto electric voltage coefficients (MEVC) observed in [BaTiO3]1-x-[CoFe2O4]x bulk composites are analyzed. Remanence in MEVC at zero bias (HDC=0) is stronger in the transverse configuration over the longitudinal case. The observed hysteretic behavior in MEVC vs. HDC is correlated with the changes observed in the magnetostriction characteristics (λ and dλ/dH) reported for [BaTiO3]1-x-[CoFe2O4]x bulk composites.

Hybridization and electron-phonon coupling in ferroelectric BaTiO3 probed by resonant inelastic x-ray scattering

NASA Astrophysics Data System (ADS)

Fatale, S.; Moser, S.; Miyawaki, J.; Harada, Y.; Grioni, M.

2016-11-01

We investigated the ferroelectric perovskite material BaTiO3 by resonant inelastic x-ray scattering (RIXS) at the Ti L3 edge. We observe with decreasing temperature a transfer of spectral weight from the elastic to the charge-transfer spectral features, indicative of increasing Ti 3 d -O 2 p hybridization. When the incident photon energy selects transitions to the Ti 3 d eg manifold, the quasielastic RIXS response exhibits a tail indicative of phonon excitations. A fit of the spectral line shape by a theoretical model allows us to estimate the electron-phonon coupling strength M ˜0.25 eV, which places BaTiO3 in the intermediate coupling regime.

Single-crystalline BaTiO3 films grown by gas-source molecular beam epitaxy

NASA Astrophysics Data System (ADS)

Matsubara, Yuya; Takahashi, Kei S.; Tokura, Yoshinori; Kawasaki, Masashi

2014-12-01

Thin BaTiO3 films were grown on GdScO3 (110) substrates by metalorganic gas-source molecular beam epitaxy. Titanium tetra-isopropoxide (TTIP) was used as a volatile precursor that provides a wide growth window of the supplied TTIP/Ba ratio for automatic adjustment of the film composition. Within the growth window, compressively strained films can be grown with excellent crystalline quality, whereas films grown outside of the growth window are relaxed with inferior crystallinity. This growth method will provide a way to study the intrinsic properties of ferroelectric BaTiO3 films and their heterostructures by precise control of the stoichiometry, structure, and purity.

Dielectric and piezoelectric properties of hydroxyapatite-BaTiO3 composites

NASA Astrophysics Data System (ADS)

Bowen, C. R.; Gittings, J.; Turner, I. G.; Baxter, F.; Chaudhuri, J. B.

2006-09-01

This letter describes the relationships between the composition and the dielectric and piezoelectric properties of hydroxyapatite-barium titanate composites for polarized bone substitutes. The ac conductivity and permittivity were characterized from 0.1Hzto1MHz, along with measurements of the d33 piezoelectric charge coefficient. The addition of BaTiO3 led to an increase in permittivity and ac conductivity of the material. The increase in both properties was attributed to the presence of the high permittivity ferroelectric phase. The d33 and g33 coefficients decreased rapidly as hydroxyapatite was introduced into BaTiO3 material. Composites below 80% by volume of BaTiO3 exhibited no net piezoelectric effect.

Thermal properties and dynamic mechanical properties of ceramic fillers filled epoxy composites

NASA Astrophysics Data System (ADS)

Saidina, D. S.; Mariatti, M.; Juliewatty, J.

2015-07-01

This present study is aimed to enhance the thermal and dynamic mechanical properties of ceramic fillers such as Calcium Copper Titanate, CaCu3Ti4O12 (CCTO) and Barium Titanate (BaTiO3) filled epoxy thin film composites. As can be seen from the results, 20 vol% BaTiO3/epoxy thin film composite showed the lowest coefficient of thermal expansion (CTE) value, the highest decomposition temperature (T5 and Tonset) and weight of residue among the composites as the filler has low CTE value, distributed homogeneously throughout the composite and less voids can be seen between epoxy resin and BaTiO3 filler.

Thin film processing of photorefractive BaTiO3

NASA Technical Reports Server (NTRS)

Schuster, Paul R.; Potember, Richard S.

1991-01-01

The principle objectives of this ongoing research involve the preparation and characterization of polycrystalline single-domain thin films of BaTiO3 for photorefractive applications. These films must be continuous, free of cracks, and of high optical quality. The two methods proposed are sputtering and sol-gel related processing.

Dielectric response and structure of in-plane tensile strained BaTiO3 thin films grown on the LaNiO3 buffered Si substrate

NASA Astrophysics Data System (ADS)

Qiao, Liang; Bi, Xiaofang

2008-02-01

Highly (001)-textured BaTiO3 films were grown epitaxially on the LaNiO3 buffered Si substrate. A strong in-plane tensile strain has been revealed by using x-ray diffraction and high resolution transmission electron microscopy. The BaTiO3 film has exhibited a small remnant polarization, indicating the presence of ca1/ca2/ca1/ca2 polydomain state in the film. Temperature dependent dielectric permittivity has demonstrated that two phase transitions occurred at respective temperatures of 170 and 30°C. The result was discussed in detail based on the misfit strain-temperature phase diagrams theory.

Field-Polarity-Dependent Domain Growth in Epitaxial BaTiO 3 Films

DOE Office of Scientific and Technical Information (OSTI.GOV)

Roth, Robert; Guo, Er-Jia; Rafique, Mohsin

The growth of circular tip-induced domains has been studied in epitaxial BaTiO 3 (BTO) films as a function of writing voltage and time using piezoresponse force microscopy (PFM). While abundant for Pb(Zr,Ti)O 3 (PZT) films, such studies are rare for BTO. Strong relaxation of written domains is observed in the form of reduction of the PFM amplitude inside the area of written domains which occurs additionally to a decrease of the domain radius. The domain wall velocity observed for negative tip voltage is systematically smaller than that for positive tip voltage. Based on maps of the positive and negative switchingmore » fields, the effective driving field for both polarities has been estimated. The polarity-dependent effective field cannot account for the different velocities, indicating a polarity-dependent mobility of the domain walls.« less

Field-Polarity-Dependent Domain Growth in Epitaxial BaTiO 3 Films

DOE PAGES

Roth, Robert; Guo, Er-Jia; Rafique, Mohsin; ...

2018-03-23

The growth of circular tip-induced domains has been studied in epitaxial BaTiO 3 (BTO) films as a function of writing voltage and time using piezoresponse force microscopy (PFM). While abundant for Pb(Zr,Ti)O 3 (PZT) films, such studies are rare for BTO. Strong relaxation of written domains is observed in the form of reduction of the PFM amplitude inside the area of written domains which occurs additionally to a decrease of the domain radius. The domain wall velocity observed for negative tip voltage is systematically smaller than that for positive tip voltage. Based on maps of the positive and negative switchingmore » fields, the effective driving field for both polarities has been estimated. The polarity-dependent effective field cannot account for the different velocities, indicating a polarity-dependent mobility of the domain walls.« less

Visible Light-Induced Photocatalytic and Antibacterial Activity of Li-Doped Bi0.5Na0.45K0.5TiO3-BaTiO3 Ferroelectric Ceramics

NASA Astrophysics Data System (ADS)

Kushwaha, H. S.; Halder, Aditi; Jain, D.; Vaish, Rahul

2015-11-01

The visible light-active ferroelectric photocatalyst Bi0.5Na0.45Li0.05K0.5TiO3-BaTiO3 (BNKLBT) was synthesized by a solid-state method and its photocatalytic, photoelectrochemical, and antibacterial properties were investigated. In a chronoamperometric study the current density under visible light was 30 μA/cm2, which is three times more than that observed under dark conditions. The compound's visible light photocatalytic activity was investigated for degradation of an organic dye (methyl orange) and an estrogenic pollutant (estriol).The kinetic rate constants calculated for photocatalytic degradation of methyl orange and estriol were 0.007 and 0.056 min-1, respectively. High photocatalytic and photoelectrochemical activity was a result of effective separation of photo-generated charge carriers, because of the ferroelectric nature of the catalyst. The effect of different charge-trapping agents on photocatalytic degradation was studied to investigate the effect of active species and the degradation pathway. Antimicrobial activity was investigated for Escherichia coli and Aspergillus flavus. The anti-bacterial action of BNKLBT was compared with that of the commercial antibiotic kanamycin (k30).

Studies of ferroelectric and dielectric properties of pure and doped barium titanate prepared by sol-gel method

NASA Astrophysics Data System (ADS)

Bisen, Supriya; Mishra, Ashutosh; Jarabana, Kanaka M.

2016-05-01

In this work, Barium Titanate (BaTiO3) powders were synthesized via Sol-Gel auto combustion method using citric acid as a chelating agent. We study the behavior of ferroelectric and dielectric properties of pure and doped BaTiO3 on different concentration. To understand the phase and structure of the powder calcined at 900°C were characterized by X-ray Diffraction shows that tetragonal phase is dominant for pure and doped BTO and data fitted by Rietveld Refinement. Electric and Dielectric properties were characterized by P-E Hysteresis and Dielectric measurement. In P-E measurement ferroelectric loop tracer applied for different voltage. The temperature dependant dielectric constant behavior was observed as a function of frequency recorded on hp-Hewlett Packard 4192A, LF impedance, 5Hz-13Hz analyzer.

Electric-field-induced local and mesoscale structural changes in polycrystalline dielectrics and ferroelectrics

DOE PAGES

Usher, Tedi -Marie; Levin, Igor; Daniels, John E.; ...

2015-10-01

In this study, the atomic-scale response of dielectrics/ferroelectrics to electric fields is central to their functionality. Here we introduce an in situ characterization method that reveals changes in the local atomic structure in polycrystalline materials under fields. The method employs atomic pair distribution functions (PDFs), determined from X-ray total scattering that depends on orientation relative to the applied field, to probe structural changes over length scales from sub-Ångstrom to several nanometres. The PDF is sensitive to local ionic displacements and their short-range order, a key uniqueness relative to other techniques. The method is applied to representative ferroelectrics, BaTiO 3 andmore » Na ½Bi ½TiO 3, and dielectric SrTiO 3. For Na ½Bi ½TiO 3, the results reveal an abrupt field-induced monoclinic to rhombohedral phase transition, accompanied by ordering of the local Bi displacements and reorientation of the nanoscale ferroelectric domains. For BaTiO 3 and SrTiO 3, the local/nanoscale structural changes observed in the PDFs are dominated by piezoelectric lattice strain and ionic polarizability, respectively.« less

Preparation, electronic structure, and chemical bonding of lead-free (1 - x)(K0.5Bi0.5)TiO3- xBaTiO3 solid solution

NASA Astrophysics Data System (ADS)

Sasikumar, S.; Saravanan, R.; Saravanakumar, S.; Robert, M. Charles

2018-01-01

Polycrystalline lead-free (1 - x)(K0.5Bi0.5)TiO3- xBaTiO3, ((1 - x)KBT- xBT) ( x = 0.00, 0.08, 0.12) ceramics were synthesized via solid-state reaction method. The powder X-ray diffraction (PXRD) and structural refinement results confirm that a single-phase tetragonal structure with space group P4mm. Charge density distribution inside the unit cell of (1 - x)KBT- xBT was investigated by the maximum entropy method. Charge density analysis reveals the reduction in ionic nature along K/Bi-O bond and enhancement of covalent nature along Ti-O bond with the addition of BaTiO3. The charge density distribution studies done using maximum entropy method for (1 - x)KBT- xBT have not been done so far. The surface morphology study was done using scanning electron microscopy (SEM). Energy dispersive X-rays spectra (EDS) were used to investigate the elemental compositions present in the system. The dielectric constant and loss tangent were studied as a function of frequency. The dielectric constant and loss were decreased with increase of frequency. Room temperature dielectric constant ( ɛ) and loss (tan δ) were measured for x = 0.00 about 511 and 0.51, respectively, at a frequency of 10 kHz.

The Importance of the Solids Loading on Confirming the Dielectric Nanosize Dependence of BaTiO3 Powders by Slurry Method

PubMed Central

Zhou, Wei; Nie, Yi Mei; Li, Shu Jing; Liang, Hai Yan

2013-01-01

The dielectric nanosize dependence of BaTiO3 powders was investigated by the slurry method, where two series of BaTiO3 slurries with 10 vol% and 30 vol% solids loadings were prepared as model samples. Applying the Bruggeman-Hanai equation, the high-frequency limiting permittivity (ε h) of the slurries was extracted from the dielectric spectra. The ε h of the 10 vol% slurry showed abnormal size independence in the range from 100 nm to 700 nm, and the ε h of the 30 vol% slurry exhibited good agreement with the previous prediction. Through analysing quantitatively the response of ε h to the changing permittivity of the powders under different solids loading, it was found that the ε h of the slurry with lower solids loading is more inclined to be interfered by the systematic and random errors. Furthermore, a high permittivity value was found in the BaTiO3 powders with 50 nm particle size. PMID:23844376

Effects of ultrasonication and conventional mechanical homogenization processes on the structures and dielectric properties of BaTiO3 ceramics.

PubMed

Akbas, Hatice Zehra; Aydin, Zeki; Yilmaz, Onur; Turgut, Selvin

2017-01-01

The effects of the homogenization process on the structures and dielectric properties of pure and Nb-doped BaTiO 3 ceramics have been investigated using an ultrasonic homogenization and conventional mechanical methods. The reagents were homogenized using an ultrasonic processor with high-intensity ultrasonic waves and using a compact mixer-shaker. The components and crystal types of the powders were determined by Fourier-transform infrared spectroscopy (FTIR) and X-ray diffraction (XRD) analyses. The complex permittivity (ε ' , ε″) and AC conductivity (σ') of the samples were analyzed in a wide frequency range of 20Hz to 2MHz at room temperature. The structures and dielectric properties of pure and Nb-doped BaTiO 3 ceramics strongly depend on the homogenization process in a solid-state reaction method. Using an ultrasonic processor with high-intensity ultrasonic waves based on acoustic cavitation phenomena can make a significant improvement in producing high-purity BaTiO 3 ceramics without carbonate impurities with a small dielectric loss. Copyright © 2016 Elsevier B.V. All rights reserved.

Effect of Barium Titanate Particles on Dielectric and Electro-Optical Properties of a Smectic-a Liquid Crystal

NASA Astrophysics Data System (ADS)

Ramazanov, M. A.; Imamaliyev, A. R.; Humbatov, Sh. A.; Agamaliev, Z. A.

2018-02-01

The effect of submicron ferroelectric BaTiO3 particles on the dielectric and electro-optical properties of the smectic-A liquid crystal (LC) with a high negative dielectric anisotropy is investigated. It is shown that the addition of BaTiO3 particles with a weight amount of 1% reduces insignificantly the transverse dielectric permittivity component ɛ ⊥ of, but significantly increases the longitudinal dielectric permittivity component ɛ // of the smectic-A LC. As a result, the anisotropy of the dielectric permittivity Δɛ = ɛ // - ɛ ⊥ of the smectic-A LC decreases. The addition of BaTiO3 particles shifts the dispersion ɛ ⊥ toward lower frequencies. Both components of the electrical conductivity of LC colloid + BaTiO3 are an order of magnitude higher than of the pure LC. The threshold voltage of the homeotropic-planar transition of the colloid is twice smaller, and its velocity is 6 times higher in comparison with the pure LC. A simple model explaining qualitatively all results obtained is presented.

X-ray and dielectric characterization of Co doped tetragonal BaTiO3 ceramics

NASA Astrophysics Data System (ADS)

Bujakiewicz-Koronska, R.; Vasylechko, L.; Markiewicz, E.; Nalecz, D. M.; Kalvane, A.

2017-01-01

The crystal structure modifications of BaTiO3 induced by cobalt doping were studied. The polycrystalline (1 - x)BaTiO3 + xCo2O3 samples, with x ≤ 10 wt.%, were prepared by high temperature sintering conventional method. According to X-ray phase and structural characterization, performed by full-profile Rietveld refinement technique, all synthesized samples showed tetragonal symmetry perovskite structure with minor amount of parasitic phases. Pure single-phase composition has been detected only in the low level of doping BaTiO3. It was indicated that substitution of Co for the Ti sites in the (1 - x)BaTiO3 + xCo2O3 series led to decrease of tetragonality (c/a) of the BaTiO3 perovskite structure. This effect almost vanished in the (1 - x)BaTiO3 + xCo2O3 samples with nominal Co content higher than ∼1 wt.%, in which precipitation of parasitic Co-containing phases CoO and Co2TiO4 has been observed. Based on the results, the solubility limit of Co in Ti sub-lattice in the (1 - x)BaTiO3 + xCo2O3 series is estimated as x = 0.75 wt.%.

Stress-Induced Cubic-to-Hexagonal Phase Transformation in Perovskite Nanothin Films.

PubMed

Cao, Shi-Gu; Li, Yunsong; Wu, Hong-Hui; Wang, Jie; Huang, Baoling; Zhang, Tong-Yi

2017-08-09

The strong coupling between crystal structure and mechanical deformation can stabilize low-symmetry phases from high-symmetry phases or induce novel phase transformation in oxide thin films. Stress-induced structural phase transformation in oxide thin films has drawn more and more attention due to its significant influence on the functionalities of the materials. Here, we discovered experimentally a novel stress-induced cubic-to-hexagonal phase transformation in the perovskite nanothin films of barium titanate (BaTiO 3 ) with a special thermomechanical treatment (TMT), where BaTiO 3 nanothin films under various stresses are annealed at temperature of 575 °C. Both high-resolution transmission electron microscopy and Raman spectroscopy show a higher density of hexagonal phase in the perovskite thin film under higher tensile stress. Both X-ray photoelectron spectroscopy and electron energy loss spectroscopy does not detect any change in the valence state of Ti atoms, thereby excluding the mechanism of oxygen vacancy induced cubic-to-hexagonal (c-to-h) phase transformation. First-principles calculations show that the c-to-h phase transformation can be completed by lattice shear at elevated temperature, which is consistent with the experimental observation. The applied bending plus the residual tensile stress produces shear stress in the nanothin film. The thermal energy at the elevated temperature assists the shear stress to overcome the energy barriers during the c-to-h phase transformation. The stress-induced phase transformation in perovskite nanothin films with TMT provides materials scientists and engineers a novel approach to tailor nano/microstructures and properties of ferroelectric materials.

Structural, dielectric and ferroelectric studies of (x) Mg0.25Cu0.25Zn0.5Fe2O4 + (1-x) BaTiO3 magnetoelectric nano-composites

NASA Astrophysics Data System (ADS)

Khader, S. Abdul; Muneeswaran, M.; Giridharan, N. V.; Sankarappa, T.

2016-05-01

The Particulate nano-composites of ferrite and ferroelectric phases having the general formula (x) Mg0.25Cu0.25Zn0.5Fe2O4 + (1-x) BaTiO3 (x=15%, 30% and 45%) were synthesized by sintering mixtures of highly ferroelectric BaTiO3 (BT) and highly magneto-strictive magnetic component Mg0.25Cu0.25Zn0.5Fe2O4(MCZF). The presence of constituent phases of ferrite, ferroelectric and their composites were probed and confirmed by X-ray diffraction (XRD) studies. Surface morphology of the samples has been investigated using Field Emission Scanning Electron Microscope (FESEM). The variation of dielectric constant and dissipation factor as a function of frequency from 100 Hz to 1 MHz at room temperature were carried out using a Hioki LCR Hi-Tester. The dielectric constant and dielectric loss were found to decrease rapidly in the low frequency region and became almost constant in the high frequency region. The electrical conductivity deduced from the measured dielectric data has been thoroughly analyzed and found that the conduction mechanism in these composites is in conformity with small polaron hopping model. The ferroelectric properties of synthesized magneto-electric nano-composites were measured using P-E loop tracer.

Increased Curie Temperature Induced by Orbital Ordering in La0.67Sr0.33MnO3/BaTiO3 Superlattices.

PubMed

Zhang, Fei; Wu, Biao; Zhou, Guowei; Quan, Zhi-Yong; Xu, Xiao-Hong

2018-01-17

Recent theoretical studies indicated that the Curie temperature of perovskite manganite thin films can be increased by more than an order of magnitude by applying appropriate interfacial strain to control orbital ordering. In this work, we demonstrate that the regular intercalation of BaTiO 3 layers between La 0.67 Sr 0.33 MnO 3 layers effectively enhances ferromagnetic order and increases the Curie temperature of La 0.67 Sr 0.33 MnO 3 /BaTiO 3 superlattices. The preferential orbital occupancy of e g (x 2 -y 2 ) in La 0.67 Sr 0.33 MnO 3 layers induced by the tensile strain of BaTiO 3 layers is identified by X-ray linear dichroism measurements. Our results reveal that controlling orbital ordering can effectively improve the Curie temperature of La 0.67 Sr 0.33 MnO 3 films and that in-plane orbital occupancy is beneficial to the double exchange ferromagnetic coupling of thin-film samples. These findings create new opportunities for the design and control of magnetism in artificial structures and pave the way to a variety of novel magnetoelectronic applications that operate far above room temperature.

Dynamic Displacement Disorder of Cubic BaTiO3

NASA Astrophysics Data System (ADS)

Paściak, M.; Welberry, T. R.; Kulda, J.; Leoni, S.; Hlinka, J.

2018-04-01

The three-dimensional distribution of the x-ray diffuse scattering intensity of BaTiO3 has been recorded in a synchrotron experiment and simultaneously computed using molecular dynamics simulations of a shell model. Together, these have allowed the details of the disorder in paraelectric BaTiO3 to be clarified. The narrow sheets of diffuse scattering, related to the famous anisotropic longitudinal correlations of Ti ions, are shown to be caused by the overdamped anharmonic soft phonon branch. This finding demonstrates that the occurrence of narrow sheets of diffuse scattering agrees with a displacive picture of the cubic phase of this textbook ferroelectric material. The presented methodology allows one to go beyond the harmonic approximation in the analysis of phonons and phonon-related scattering.

Organic/Inorganic Nano-hybrids with High Dielectric Constant for Organic Thin Film Transistor Applications

NASA Astrophysics Data System (ADS)

Yu, Yang-Yen; Jiang, Ai-Hua; Lee, Wen-Ya

2016-11-01

The organic material soluble polyimide (PI) and organic-inorganic hybrid PI-barium titanate (BaTiO3) nanoparticle dielectric materials (IBX, where X is the concentration of BaTiO3 nanoparticles in a PI matrix) were successfully synthesized through a sol-gel process. The effects of various BaTiO3 contents on the hybrid film performance and performance optimization were investigated. Furthermore, pentacene-based organic thin film transistors (OTFTs) with PI-BaTiO3/polymethylmethacrylate or cyclic olefin copolymer (COC)-modified gate dielectrics were fabricated and examined. The hybrid materials showed effective dispersion of BaTiO3 nanoparticles in the PI matrix and favorable thermal properties. X-ray diffraction patterns revealed that the BaTiO3 nanoparticles had a perovskite structure. The hybrid films exhibited high formability and planarity. The IBX hybrid dielectric films exhibited tunable insulating properties such as the dielectric constant value and capacitance in ranges of 4.0-8.6 and 9.2-17.5 nF cm-2, respectively. Adding the modified layer caused the decrease of dielectric constant values and capacitances. The modified dielectric layer without cross-linking displayed a hydrophobic surface. The electrical characteristics of the pentacene-based OTFTs were enhanced after the surface modification. The optimal condition for the dielectric layer was 10 wt% hybrid film with the COC-modified layer; moreover, the device exhibited a threshold voltage of 0.12 V, field-effect mobility of 4.32 × 10-1 cm2 V-1 s-1, and on/off current of 8.4 × 107.

Imprint control of BaTiO 3 thin films via chemically induced surface polarization pinning

DOE PAGES

Lee, Hyungwoo; Kim, Tae Heon; Patzner, Jacob J.; ...

2016-02-22

Surface-adsorbed polar molecules can significantly alter the ferroelectric properties of oxide thin films. Thus, fundamental understanding and controlling the effect of surface adsorbates are crucial for the implementation of ferroelectric thin film devices, such as ferroelectric tunnel junctions. Herein, we report an imprint control of BaTiO 3 (BTO) thin films by chemically induced surface polarization pinning in the top few atomic layers of the water-exposed BTO films. Our studies based on synchrotron X-ray scattering and coherent Bragg rod analysis demonstrate that the chemically induced surface polarization is not switchable but reduces the polarization imprint and improves the bistability of ferroelectricmore » phase in BTO tunnel junctions. Here, we conclude that the chemical treatment of ferroelectric thin films with polar molecules may serve as a simple yet powerful strategy to enhance functional properties of ferroelectric tunnel junctions for their practical applications.« less

On the approach to Mott's transition in glass-ceramic nanocomposite due to heat treatment

NASA Astrophysics Data System (ADS)

Mahdy, Iman A.; Heikal, Sh.; Abd-Rabo, A. S.; Abdel Ghany, A.; Bahgat, A. A.

2015-07-01

In the present work, the glass-ceramic nanocomposite (GCNC) of the composition 30[0.75 BaTiO3+0.25 PbTiO3]+70 V2O5 (mol. %) was prepared from the parent glass by isothermal heat treatment (HT) at 723 K for different time intervals 0.25, 0.5, 1.5, 2, and 2.5 h, respectively. The bulk density and some related parameters were calculated. X-ray diffraction and Hi-Resolution Transmission Electron Microscope (HRTEM) were used to identify different phases as well as particle size of the precipitated nanocrystals during the heat treatment process. The DC electrical conductivity was enhanced three orders of magnitudes (3×103) by increasing HT time. The resistivity measurements on the other hand as a function of time show an approach to nonmetallic-metallic transition for the prepared NCGC samples. Mott's VRH conduction mechanism was predicted as a result of the increase of the heat treatment time.

Pulse-based electron spin transient nutation measurement of BaTiO3 fine particle: Identification of controversial signal around g = 2.00

NASA Astrophysics Data System (ADS)

Sawai, Takatoshi; Yamaguchi, Yoji; Kitamura, Noriko; Date, Tomotsugu; Konishi, Shinya; Taga, Kazuya; Tanaka, Katsuhisa

2018-05-01

Two dimensional pulse-based electron spin transient nutation (2D-ESTN) spectroscopy is a powerful tool for determining the spin quantum number and has been applied to BaTiO3 fine powder in order to identify the origin of the continuous wave electron spin resonance (CW-ESR) signal around g = 2.00. The signal is frequently observed in BaTiO3 ceramics, and the correlation between the signal intensity and positive temperature coefficient of resistivity (PTCR) properties has been reported to date. The CW-ESR spectrum of BaTiO3 fine particles synthesized by the sol-gel method shows a typical asymmetric signal at g = 2.004. The 2D-ESTN measurements of the sample clearly reveal that the signal belongs to the S = 5/2 high spin state, indicating that the signal is not due to a point defect as suggested by a number of researchers but rather to a transition metal ion. Our elemental analysis, as well as previous studies, indicates that the origin of the g = 2.004 signal is due to the presence of an Fe3+ impurity. The D value (second-order fine structure parameter) reveals that the origin of the signal is an Fe3+ center with distant charge compensation. In addition, we show a peculiar temperature dependence of the CW-ESR spectrum, suggesting that the phase transition behavior of a BaTiO3 fine particle is quite different from that of a bulk single crystal. Our identification does not contradict a vacancy-mediated mechanism for PTCR. However, it is incorrect to use the signal at g = 2.00 as evidence to support the vacancy-mediated mechanism.

Examination of the Mass Transfer of Additive Elements in Barium Titanate Ceramics during Sintering Process by Laser Ablation ICP-MS.

PubMed

Sakate, Daisuke; Iwazaki, Yoshiki; Kon, Yoshiaki; Yokoyama, Takaomi; Ohata, Masaki

2018-01-01

The mass transfer of additive elements during the sintering of barium titanate (BaTiO 3 ) ceramic was examined by laser ablation inductively coupled plasma mass spectrometry (LA-ICP-MS) in the present study. An analytical sample consisting of two pellets of BaTiO 3 with different concentrations of additive elements of manganese (Mn) and holmium (Ho) as well as silicon (Si) as a sintering reagent was prepared and measured by LA-ICP-MS with small laser irradiated diameter of 10 μm to evaluate the distributions and concentrations of additive elements in order to examine their mass transfers. As results, enrichments of Mn and Si as an additive element and a sintering reagent, respectively, were observed on the adhesive surface between two BaTiO 3 pellets, even though Ho did not show a similar phenomenon. The mass transfers of additive elements of Mn and Ho were also examined, and Mn seemed to show a larger mass transfer than that of Ho during the sintering process for BaTiO 3 ceramics. The results obtained in this study shows the effectives of LA-ICP-MS for the future improvement of MLCCs.

Linear magnetic field dependence of the magnetodielectric effect in eutectic BaTiO3-CoFe2O4 multiferroic material fabricated by containerless processing

NASA Astrophysics Data System (ADS)

Fukushima, J.; Ara, K.; Nojima, T.; Iguchi, S.; Hayashi, Y.; Takizawa, H.

2018-05-01

To maximize the formation of an anisotropic interface between the magnetostrictive phase and the electrostrictive phase, a eutectic BaTiO3-CoFe2O4 multiferroic material is fabricated by containerless processing. The composites in this process had a fine eutectic structure, especially at a eutectic composition of BaTiO3:CoFe2O4 = 62:38. TEM observations revealed that the (1 0 0) plane of tetragonal BaTiO3 and the (1 0 0) plane of CoFe2O4 were oriented in parallel. In addition to the largest magnetodielectric effect in the eutectic-composition samples, we confirmed the permittivity is controlled linearly by applying a high magnetic field through forced magnetostriction. So far, the peak of the magnetodielectric effect around 0.25 T has been only found in the sintered CoFe2O4 polycrystalline sample. Thus, the containerless processing provides us a route to produce an ideal microstructure without accompanying 90° domain wall process and rotational magnetization process, which enhances the magnetodielectric effect.

Influence of Ga-concentration on the electrical and magnetic properties of magnetoelectric CoGa xFe 2–xO 4/BaTiO 3 composite

DOE PAGES

Ni, Yan; Zhang, Zhen; Nlebedim, Cajetan I.; ...

2015-03-20

Multiferroic materials exhibit magnetoelectric (ME) coupling and promise new device applications including magnetic sensors, generators, and filters. An effective method for developing ME materials with enhanced ME effect is achieved by the coupling through the interfacial strain between piezoelectric and magnetostrictive materials. In this study, the electrical and magnetic properties of Ga doped magnetoelectric CoGa xFe 2–xO 4/BaTiO 3 composite are studied systematically. It is found that Ga doping improves the sensitivity of magnetoelastic response and stabilizes the magnetic phase of the composites. More importantly, Ga doping reduces the electrical conductivity of composite, as well as the dielectric loss. Anmore » enhancement of the electrostrain with doping Ga is also observed. Quantitative estimation indicates that magnetoelectric coupling is enhanced for Ga-doped CoGa xFe 2–xO 4/BaTiO 3 composites. As a result, the present work is beneficial to the practical application of composite CoFe 2O 4/BaTiO 3-based multiferroic materials.« less

Barium titanate tape properties for MLCC application using different binder systems

NASA Astrophysics Data System (ADS)

Yoon, Dang-Hyok

Most of multilayer ceramic capacitor (MLCC) industries are currently using solvent-based slip systems, although water-based slips have been receiving increasing attention due to reduced health and environmental hazards. The current work focuses on two main fields to meet the challenges in MLCC processing in aqueous media. One is the comparison between water- and solvent-based slip systems using design of experiments (DOE). The other is the understanding of Ba2+ ion leaching behavior in water and its effect on tape properties. For the first part, twenty four kinds of BaTiO3 slips were investigated using three different binder systems: one solvent-based, and two water-based systems. Tape casting, sintering and characterization were conducted. Slip viscosity and tape strength of the green tape depended significantly on the binder type. It was possible to achieve a higher green density for water-based system than that for a solvent-based one. Most of the green body properties from solvent-based system depended on the ceramic powder. On the other hand, the dispersant was the most significant factor for the green body properties of two water-based systems. Sintered properties such as microstructure and dielectric permittivity for three systems depended significantly on the type of ceramic powder. An optimization was performed for each system by means of a scorecard. By choosing the optimum condition, comparable results were drawn for the water-based system compared to a solvent-based one for MLCC application. For the second part, the amount of Ba2+ ion leaching from BaTiO3 in water was determined by an EDTA titration method. The greater extent and the faster rate of Ba2+ leaching were found at the lower solution pH. The excess free barium ions expressed by means of the Ba/Ti ratio adversely affected most tape properties. To passivate BaTiO 3 surface from Ba2+ ion leaching in water, passivation agent layer (PAL) was formed by drying the slurry after adding a commercial polymeric dispersant. Compared to the conventional dispersant adding method, this PAL method was more effective in reducing the amount of Ba2+ leaching. Moreover, using PAL did not deteriorate any of green and sintered properties of BaTiO3 tape.

Orientation control of barium titanate films using metal oxide nanosheet layer

NASA Astrophysics Data System (ADS)

Uchida, Hiroshi; Oi, Tomotake; Noguchi, Keito; Moki, Shota; Kim, Jin Woon; Shima, Hiromi; Nishida, Ken; Kiguchi, Takanori; Akama, Akihiko; Konno, Toyohiko J.; Funakubo, Hiroshi

2016-10-01

In the present work, we aim to achieve the preferred crystal orientation of chemical solution deposition (CSD)-derived BaTiO3 films on ubiquitous Si wafers with the assistance of Ca2Nb3O10 nanosheet (ns-CN) template layers. The ns-CN on platinized Si (Pt/Si) substrates aligned the BaTiO3(100) plane to the substrate surface, because of the favorable lattice matching of the ns-CN (001) plane. The CSD process in air required a high crystallization temperature of 900 °C for the preferred crystal orientation of BaTiO3(100) because of the BaCO3 byproduct generated during the combustion reaction of the precursor gel. The processing in vacuum to remove CO2 species enhanced the crystal orientation even at the crystallization temperature of 800 °C, although it can generate oxygen vacancies (\\text{V}\\text{O}{} \\bullet \\bullet ) that cause distorted polarization behavior under an applied field higher than approximately 150 kV/cm. The relative dielectric constant (εr) of the (100)-oriented BaTiO3 film on the ns-CN-supported Pt/Si substrate (ns-CN/Pt/Si) was generally larger than that of the randomly oriented film on Pt/Si, depending on the degree of crystal orientation.

Origin of Ferrimagnetism and Ferroelectricity in Room-Temperature Multiferroic ɛ -Fe2O3

NASA Astrophysics Data System (ADS)

Xu, K.; Feng, J. S.; Liu, Z. P.; Xiang, H. J.

2018-04-01

Exploring and identifying room-temperature multiferroics is critical for developing better nonvolatile random-access memory devices. Recently, ɛ -Fe2O3 was found to be a promising room-temperature multiferroic with a large polarization and magnetization. However, the origin of the multiferroicity in ɛ -Fe2O3 is still puzzling. In this work, we perform density-functional-theory calculations to reveal that the spin frustration between tetrahedral-site Fe3 + spins gives rise to the unexpected ferrimagnetism. For the ferroelectricity, we identify a low-energy polarization switching path with an energy barrier of 85 meV /f .u . by performing a stochastic surface walking simulation. The switching of the ferroelectric polarization is achieved by swapping the tetrahedral Fe ion with the octahedral Fe ion, different from the usual case (e.g., in BaTiO3 and BiFeO3 ) where the coordination number remains unchanged after the switching. Our results not only confirm that ɛ -Fe2O3 is a promising room-temperature multiferroic but also provide guiding principles to design high-performance multiferroics.

Maxwell-Wagner effect in hexagonal BaTiO3 single crystals grown by containerless processing

NASA Astrophysics Data System (ADS)

Yu, Jianding; Paradis, Paul-François; Ishikawa, Takehiko; Yoda, Shinichi

2004-10-01

Oxygen-deficient hexagonal BaTiO3 single crystals, with dielectric constant ε '˜105 and loss component tan δ ˜0.13 at room temperature and a linear temperature dependence of ε' in the range 70-100K, was analyzed by impedance spectroscopy analysis. Two capacitors, bulk and interfacial boundary layer, were observed, and the colossal dielectric constant was mainly dominated by the interfacial boundary layers due to Maxwell-Wagner effect. After annealing the oxygen-deficient hexagonal BaTiO3 at 663K, the ε ' and tanδ became, respectively, 2×104 and 0.07 at room temperature. This work showed an important technological implication as annealing at lower temperatures would help to obtain materials with tailored dielectric properties.

Topological phase transformations and intrinsic size effects in ferroelectric nanoparticles

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mangeri, John; Espinal, Yomery; Jokisaari, Andrea M.

Here, composite materials comprised of ferroelectric nanoparticles in a dielectric matrix are being actively investigated for a variety of functional properties attractive for a wide range of novel electronic and energy harvesting devices. However, the dependence of these functionalities on shapes, sizes, orientation and mutual arrangement of ferroelectric particles is currently not fully understood. In this study, we utilize a time-dependent Ginzburg-Landau approach combined with coupled-physics finite-element-method based simulations to elucidate the behavior of polarization in isolated spherical PbTiO 3 or BaTiO 3 nanoparticles embedded in a dielectric medium, including air. The equilibrium polarization topology is strongly affected by particlemore » diameter, as well as the choice of inclusion and matrix materials, with monodomain, vortex-like and multidomain patterns emerging for various combinations of size and materials parameters. This leads to radically different polarization vs electric field responses, resulting in highly tunable size-dependent dielectric properties that should be possible to observe experimentally. Our calculations show that there is a critical particle size below which ferroelectricity vanishes. For the PbTiO 3 particle, this size is 2 and 3.4 nm, respectively, for high- and low-permittivity media. For the BaTiO 3 particle, it is ~3.6 nm regardless of the medium dielectric strength.« less

Topological phase transformations and intrinsic size effects in ferroelectric nanoparticles

DOE PAGES

Mangeri, John; Espinal, Yomery; Jokisaari, Andrea M.; ...

2017-01-06

Here, composite materials comprised of ferroelectric nanoparticles in a dielectric matrix are being actively investigated for a variety of functional properties attractive for a wide range of novel electronic and energy harvesting devices. However, the dependence of these functionalities on shapes, sizes, orientation and mutual arrangement of ferroelectric particles is currently not fully understood. In this study, we utilize a time-dependent Ginzburg-Landau approach combined with coupled-physics finite-element-method based simulations to elucidate the behavior of polarization in isolated spherical PbTiO 3 or BaTiO 3 nanoparticles embedded in a dielectric medium, including air. The equilibrium polarization topology is strongly affected by particlemore » diameter, as well as the choice of inclusion and matrix materials, with monodomain, vortex-like and multidomain patterns emerging for various combinations of size and materials parameters. This leads to radically different polarization vs electric field responses, resulting in highly tunable size-dependent dielectric properties that should be possible to observe experimentally. Our calculations show that there is a critical particle size below which ferroelectricity vanishes. For the PbTiO 3 particle, this size is 2 and 3.4 nm, respectively, for high- and low-permittivity media. For the BaTiO 3 particle, it is ~3.6 nm regardless of the medium dielectric strength.« less

Structure of periodic crystals and quasicrystals in ultrathin films of Ba-Ti-O

DOE PAGES

Cockayne, Eric; Mihalkovič, Marek; Henley, Christopher L.

2016-01-07

Here, we model the remarkable thin-film Ba-Ti-O structures formed by heat treatment of an initial perovskite BaTiO 3 thin film on a Pt(111) surface. All structures contain a rumpled Ti-O network with all Ti threefold coordinated with O, and with Ba occupying the larger. mainly Ti 7O 7, pores. The quasicrystal structue is a simple decoration of three types of tiles: square, triangle and 30° rhombus, with edge lengths 6.85 Å, joined edge-to-edge in a quasicrystalline pattern; observed periodic crystals in ultrathin film Ba-Ti-O are built from these and other tiles. Simulated STM images reproduce the patterns seen experimentally, andmore » identify the bright protrusions as Ba atoms. The models are consistent with all experimental observations.« less

Aggregate linear properties of ferroelectric ceramics and polycrystalline thin films: Calculation by the method of effective piezoelectric medium

NASA Astrophysics Data System (ADS)

Pertsev, N. A.; Zembilgotov, A. G.; Waser, R.

1998-08-01

The effective dielectric, piezoelectric, and elastic constants of polycrystalline ferroelectric materials are calculated from single-crystal data by an advanced method of effective medium, which takes into account the piezoelectric interactions between grains in full measure. For bulk BaTiO3 and PbTiO3 polarized ceramics, the dependences of material constants on the remanent polarization are reported. Dielectric and elastic constants are computed also for unpolarized c- and a-textured ferroelectric thin films deposited on cubic or amorphous substrates. It is found that the dielectric properties of BaTiO3 and PbTiO3 polycrystalline thin films strongly depend on the type of crystal texture. The influence of two-dimensional clamping by the substrate on the dielectric and piezoelectric responses of polarized films is described quantitatively and shown to be especially important for the piezoelectric charge coefficient of BaTiO3 films.

Methodical thermolysis of [Ba2Ti2(thd)4(OnPr)8(nPrOH)2] under autogenous pressure followed by combustion for the synthesis of dielectric tetragonal BaTiO3 nanopowder.

PubMed

Pol, Vilas G; Thiyagarajan, P; Moreno, Jose M Calderon; Popa, Monica; Kessler, Vadim G; Gohil, Suresh; Seisenbaeva, Gulaim A

2009-07-06

The tetragonal BaTiO(3) nanopowder is synthesized in a solvent-less, efficient process by the thermolysis of a single [Ba(2)Ti(2)(thd)(4)(OnPr)(8)(nPrOH)(2)] precursor in a closed reactor at 700 degrees C under autogenous pressure, followed by combustion. This paper compiles the synthesis of the [Ba(2)Ti(2)(thd)(4)(OnPr)(8)(nPrOH)(2)] precursor, its analysis by mass spectrometry, and implementation for the fabrication of dielectric tetragonal BaTiO(3) nanopowder by controlled efficient thermal decomposition. The as-prepared, intermediate, and final forms of the obtained nanomaterials are systematically analysed by XRD, Raman, and EDS measurements to gain structural and compositional information. Employing HR-SEM, TEM, and HR-TEM techniques, the morphological changes during the structural evolution of all the phases are pursued. The mechanistic elucidation for the fabrication of BaTiO(3) nanopowder is developed on the basis of TGA and DTA data obtained for the initial [Ba(2)Ti(2)(thd)(4)(OnPr)(8)(nPrOH)(2)] reactant as well as the as-prepared BaCO(3) with amorphous Ti phase.

Excited configurations of hydrogen in the BaTiO3 -xHx perovskite lattice associated with hydrogen exchange and transport

NASA Astrophysics Data System (ADS)

Ito, T. U.; Koda, A.; Shimomura, K.; Higemoto, W.; Matsuzaki, T.; Kobayashi, Y.; Kageyama, H.

2017-01-01

Excited configurations of hydrogen in the oxyhydride BaTiO3 -xHx (x =0.1 -0.5 ), which are considered to be involved in its hydrogen transport and exchange processes, were investigated by positive muon spin relaxation spectroscopy using muonium (Mu) as a pseudoisotope of hydrogen. Muons implanted into the BaTiO3 -xHx perovskite lattice were mainly found in two qualitatively different metastable states. One was assigned to a highly mobile interstitial protonic state, which is commonly observed in perovskite oxides. The other was found to form an entangled two spin-1/2 system with the nuclear spin of an H- ion at the anion site. The structure of the (H,Mu) complex agrees well with that of a neutralized center containing two H- ions at a doubly charged oxygen vacancy, which was predicted to form in the SrTiO3 -δ perovskite lattice by a computational study [Y. Iwazaki et al., APL Mater. 2, 012103 (2014), 10.1063/1.4854355]. Above 100 K, interstitial Mu+ diffusion and retrapping to a deep defect were observed, which could be a rate-limiting step of macroscopic Mu/H transport in the BaTiO3 -xHx lattice.

Interface control in BaTiO3 based supercapacitors

NASA Astrophysics Data System (ADS)

Maglione, Mario; Elissalde, Catherine; Chung, U.-Chan

2010-03-01

Core shell BaTiO3 based particles sintered using advanced processes provide a high control of grain boundaries in bulk composites. As a result, supercapacitor behavior was evidenced which came from the balance between inner grain conductivity and grain boundary dielectric barrier. Thanks to the core-shell structure of the starting particles, improved control of the effective dielectric parameters can be achieved.

Evidence of extended cation solubility in atomic layer deposited nanocrystalline BaTiO3 thin films and its strong impact on the electrical properties.

PubMed

Falmbigl, Matthias; Karateev, Igor A; Golovina, Iryna S; Plokhikh, Aleksandr V; Parker, Thomas C; Vasiliev, Alexander L; Spanier, Jonathan E

2018-06-22

Thin films of ≈50 nm thickness with Ba/Ti-ratios ranging from 0.8 to 1.06 were prepared by depositing alternating layers of Ba(OH)2 and TiO2. Annealing at 750 °C promoted the solid-solid transformation into polycrystalline BaTiO3 films containing a mixture of the perovskite and the hexagonal polymorphs with average crystallite sizes smaller than 14 nm and without impurity phases. This, together with an increase of the cubic lattice parameters for Ba-rich films, suggests an extended metastable solubility range for the perovskite-phase in these nanocrystalline thin films on both sides of the stoichiometric composition. Mapping of the cation distribution utilizing energy-filtered transmission electron microscopy corroborates defect accommodation within the BaTiO3 grains. While the cation off-stoichiometry in thermodynamic equilibrium is negligible for BaTiO3, the metastable extended solubility range in the thin films can be directly correlated to the low annealing temperature and nanocrystalline nature. The leakage current behavior can be explained by the formation of Schottky defects for nonstoichiometric films, and the cation ratio has a distinct impact on the dielectric properties: while excess-BaO has a marginal detrimental effect on the permittivity, the dielectric constant declines rapidly by more than 50% towards the Ti-rich side. The present findings highlight the importance of compositional control for the synthesis of nanocrystalline BaTiO3 thin films, in particular for low annealing and/or deposition temperatures. Our synthesis approach using alternating layers of Ba(OH)2 and TiO2 provides a route to precisely control the cation stoichiometry.

Effect of double layer thickness on magnetoelectric coupling in multiferroic BaTiO3-Bi0.95Gd0.05FeO3 multilayers

NASA Astrophysics Data System (ADS)

Hohenberger, S.; Lazenka, V.; Temst, K.; Selle, S.; Patzig, C.; Höche, T.; Grundmann, M.; Lorenz, M.

2018-05-01

The effect of double-layer thickness and partial substitution of Bi3+ by Gd3+ is demonstrated for multiferroic BaTiO3–BiFeO3 2–2 heterostructures. Multilayers of 15 double layers of BaTiO3 and Bi0.95Gd0.05FeO3 were deposited onto (0 0 1) oriented SrTiO3 substrates by pulsed laser deposition with various double layer thicknesses. X-ray diffraction and high resolution transmission electron microscopy investigations revealed a systematic strain tuning with layer thickness via coherently strained interfaces. The multilayers show increasingly enhanced magnetoelectric coupling with reduced double layer thickness. The maximum magnetoelectric coupling coefficient was measured to be as high as 50.8 V cm‑1 Oe‑1 in 0 T DC bias magnetic field at room temperature, and 54.9 V cm‑1 Oe‑1 above 3 T for the sample with the thinnest double layer thickness of 22.5 nm. This enhancement is accompanied by progressively increasing perpendicular magnetic anisotropy and compressive out-of-plane strain. To understand the origin of the enhanced magnetoelectric coupling in such multilayers, the temperature and magnetic field dependency of is discussed. The magnetoelectric performance of the Gd3+ substituted samples is found to be slightly enhanced when compared to unsubstituted BaTiO3–BiFeO3 multilayers of comparable double-layer thickness.

Current understanding of structure-processing-property relationships in BaTiO 3-Bi( M)O 3 dielectrics

DOE PAGES

Beuerlein, Michaela A.; Kumar, Nitish; Usher, Tedi -Marie; ...

2016-09-01

Here, as part of a continued push for high permittivity dielectrics suitable for use at elevated operating temperatures and/or large electric fields, modifications of BaTiO 3 with Bi( M)O 3, where M represents a net-trivalent B-site occupied by one or more species, have received a great deal of recent attention. Materials in this composition family exhibit weakly coupled relaxor behavior that is not only remarkably stable at high temperatures and under large electric fields, but is also quite similar across various identities of M. Moderate levels of Bi content (as much as 50 mol%) appear to be crucial to themore » stability of the dielectric response. In addition, the presence of significant Bi reduces the processing temperatures required for densification and increases the required oxygen content in processing atmospheres relative to traditional X7R-type BaTiO 3-based dielectrics. Although detailed understanding of the structure–processing–property relationships in this class of materials is still in its infancy, this article reviews the current state of understanding of the mechanisms underlying the high and stable values of both relative permittivity and resistivity that are characteristic of BaTiO 3-Bi( M)O 3 dielectrics as well as the processing challenges and opportunities associated with these materials.« less

Fabrication and in vitro biological properties of piezoelectric bioceramics for bone regeneration

PubMed Central

Tang, Yufei; Wu, Cong; Wu, Zixiang; Hu, Long; Zhang, Wei; Zhao, Kang

2017-01-01

The piezoelectric effect of biological piezoelectric materials promotes bone growth. However, the material should be subjected to stress before it can produce an electric charge that promotes bone repair and reconstruction conducive to fracture healing. A novel method for in vitro experimentation of biological piezoelectric materials with physiological load is presented. A dynamic loading device that can simulate the force of human motion and provide periodic load to piezoelectric materials when co-cultured with cells was designed to obtain a realistic expression of piezoelectric effect on bone repair. Hydroxyapatite (HA)/barium titanate (BaTiO3) composite materials were fabricated by slip casting, and their piezoelectric properties were obtained by polarization. The d33 of HA/BaTiO3 piezoelectric ceramics after polarization was 1.3 pC/N to 6.8 pC/N with BaTiO3 content ranging from 80% to 100%. The in vitro biological properties of piezoelectric bioceramics with and without cycle loading were investigated. When HA/BaTiO3 piezoelectric bioceramics were affected by cycle loading, the piezoelectric effect of BaTiO3 promoted the growth of osteoblasts and interaction with HA, which was better than the effect of HA alone. The best biocompatibility and bone-inducing activity were demonstrated by the 10%HA/90%BaTiO3 piezoelectric ceramics. PMID:28240268

Fabrication and in vitro biological properties of piezoelectric bioceramics for bone regeneration.

PubMed

Tang, Yufei; Wu, Cong; Wu, Zixiang; Hu, Long; Zhang, Wei; Zhao, Kang

2017-02-27

The piezoelectric effect of biological piezoelectric materials promotes bone growth. However, the material should be subjected to stress before it can produce an electric charge that promotes bone repair and reconstruction conducive to fracture healing. A novel method for in vitro experimentation of biological piezoelectric materials with physiological load is presented. A dynamic loading device that can simulate the force of human motion and provide periodic load to piezoelectric materials when co-cultured with cells was designed to obtain a realistic expression of piezoelectric effect on bone repair. Hydroxyapatite (HA)/barium titanate (BaTiO 3 ) composite materials were fabricated by slip casting, and their piezoelectric properties were obtained by polarization. The d 33 of HA/BaTiO 3 piezoelectric ceramics after polarization was 1.3 pC/N to 6.8 pC/N with BaTiO 3 content ranging from 80% to 100%. The in vitro biological properties of piezoelectric bioceramics with and without cycle loading were investigated. When HA/BaTiO 3 piezoelectric bioceramics were affected by cycle loading, the piezoelectric effect of BaTiO 3 promoted the growth of osteoblasts and interaction with HA, which was better than the effect of HA alone. The best biocompatibility and bone-inducing activity were demonstrated by the 10%HA/90%BaTiO 3 piezoelectric ceramics.

Fabrication and in vitro biological properties of piezoelectric bioceramics for bone regeneration

NASA Astrophysics Data System (ADS)

Tang, Yufei; Wu, Cong; Wu, Zixiang; Hu, Long; Zhang, Wei; Zhao, Kang

2017-02-01

The piezoelectric effect of biological piezoelectric materials promotes bone growth. However, the material should be subjected to stress before it can produce an electric charge that promotes bone repair and reconstruction conducive to fracture healing. A novel method for in vitro experimentation of biological piezoelectric materials with physiological load is presented. A dynamic loading device that can simulate the force of human motion and provide periodic load to piezoelectric materials when co-cultured with cells was designed to obtain a realistic expression of piezoelectric effect on bone repair. Hydroxyapatite (HA)/barium titanate (BaTiO3) composite materials were fabricated by slip casting, and their piezoelectric properties were obtained by polarization. The d33 of HA/BaTiO3 piezoelectric ceramics after polarization was 1.3 pC/N to 6.8 pC/N with BaTiO3 content ranging from 80% to 100%. The in vitro biological properties of piezoelectric bioceramics with and without cycle loading were investigated. When HA/BaTiO3 piezoelectric bioceramics were affected by cycle loading, the piezoelectric effect of BaTiO3 promoted the growth of osteoblasts and interaction with HA, which was better than the effect of HA alone. The best biocompatibility and bone-inducing activity were demonstrated by the 10%HA/90%BaTiO3 piezoelectric ceramics.

Crystalline Structure, Defect Chemistry and Room Temperature Colossal Permittivity of Nd-doped Barium Titanate

NASA Astrophysics Data System (ADS)

Sun, Qiaomei; Gu, Qilin; Zhu, Kongjun; Jin, Rongying; Liu, Jinsong; Wang, Jing; Qiu, Jinhao

2017-02-01

Dielectric materials with high permittivity are strongly demanded for various technological applications. While polarization inherently exists in ferroelectric barium titanate (BaTiO3), its high permittivity can only be achieved by chemical and/or structural modification. Here, we report the room-temperature colossal permittivity (~760,000) obtained in xNd: BaTiO3 (x = 0.5 mol%) ceramics derived from the counterpart nanoparticles followed by conventional pressureless sintering process. Through the systematic analysis of chemical composition, crystalline structure and defect chemistry, the substitution mechanism involving the occupation of Nd3+ in Ba2+ -site associated with the generation of Ba vacancies and oxygen vacancies for charge compensation has been firstly demonstrated. The present study serves as a precedent and fundamental step toward further improvement of the permittivity of BaTiO3-based ceramics.

Crystalline Structure, Defect Chemistry and Room Temperature Colossal Permittivity of Nd-doped Barium Titanate.

PubMed

Sun, Qiaomei; Gu, Qilin; Zhu, Kongjun; Jin, Rongying; Liu, Jinsong; Wang, Jing; Qiu, Jinhao

2017-02-13

Dielectric materials with high permittivity are strongly demanded for various technological applications. While polarization inherently exists in ferroelectric barium titanate (BaTiO 3 ), its high permittivity can only be achieved by chemical and/or structural modification. Here, we report the room-temperature colossal permittivity (~760,000) obtained in xNd: BaTiO 3 (x = 0.5 mol%) ceramics derived from the counterpart nanoparticles followed by conventional pressureless sintering process. Through the systematic analysis of chemical composition, crystalline structure and defect chemistry, the substitution mechanism involving the occupation of Nd 3+ in Ba 2+ -site associated with the generation of Ba vacancies and oxygen vacancies for charge compensation has been firstly demonstrated. The present study serves as a precedent and fundamental step toward further improvement of the permittivity of BaTiO 3 -based ceramics.

Crystalline Structure, Defect Chemistry and Room Temperature Colossal Permittivity of Nd-doped Barium Titanate

PubMed Central

Sun, Qiaomei; Gu, Qilin; Zhu, Kongjun; Jin, Rongying; Liu, Jinsong; Wang, Jing; Qiu, Jinhao

2017-01-01

Dielectric materials with high permittivity are strongly demanded for various technological applications. While polarization inherently exists in ferroelectric barium titanate (BaTiO3), its high permittivity can only be achieved by chemical and/or structural modification. Here, we report the room-temperature colossal permittivity (~760,000) obtained in xNd: BaTiO3 (x = 0.5 mol%) ceramics derived from the counterpart nanoparticles followed by conventional pressureless sintering process. Through the systematic analysis of chemical composition, crystalline structure and defect chemistry, the substitution mechanism involving the occupation of Nd3+ in Ba2+ -site associated with the generation of Ba vacancies and oxygen vacancies for charge compensation has been firstly demonstrated. The present study serves as a precedent and fundamental step toward further improvement of the permittivity of BaTiO3-based ceramics. PMID:28205559

Rietveld refined structural and room temperature vibrational properties of BaTiO3 doped La0.67Ba0.33MnO3 composites

NASA Astrophysics Data System (ADS)

Dar, M. A.; Sheikh, M. W.; Malla, M. S.; Varshney, Dinesh

2016-05-01

The composites of (1-x) La0.67Ba0.33MnO3 (LBMO) + xBaTiO3 (BTO) (x = 0, 0.25 and 1.0) were synthesized by conventional solid-state reaction method. Rietveld refinement was employed to characterize the structural information of the prepared ceramics. The result of the Rietveld refinement of X-ray powder diffraction of La0.67Ba0.33MnO3 and BaTiO3 shows that these compounds crystallize in rhombohedral (R3c) and tetragonal (P4mm), respectively. The structural parameters and the reliability factors for the LBMO-BTO composite ceramics were successfully determined by the Rietveld refinement. At room temperature, Raman active phonon modes predicted by the group theory were observed only in BaTiO3 and composite sample. Pure LBMO does not show any Raman active Phonon mode at room temperature.

Patterned solid state growth of barium titanate crystals

NASA Astrophysics Data System (ADS)

Ugorek, Michael Stephen

An understanding of microstructure evolution in ceramic materials, including single crystal development and abnormal/enhanced grain growth should enable more controlled final ceramic element structures. In this study, two different approaches were used to control single crystal development in a patterned array. These two methods are: (1) patterned solid state growth in BaTiO 3 ceramics, and (2) metal-mediated single crystal growth in BaTiO 3. With the patterned solid state growth technique, optical photolithography was used to pattern dopants as well as [001] and [110] BaTiO3 single crystal template arrays with a 1000 microm line pattern array with 1000 microm spacings. These patterns were subsequently used to control the matrix grain growth evolution and single crystal development in BaTiO3. It was shown that the growth kinetics can be controlled by a small initial grain size, atmosphere conditions, and the introduction of a dopant at selective areas/interfaces. By using a PO2 of 1x10-5 atm during high temperature heat treatment, the matrix coarsening has been limited (to roughly 2 times the initial grain size), while retaining single crystal boundary motion up to 0.5 mm during growth for dwell times up to 9 h at 1300°C. The longitudinal and lateral growth rates were optimized at 10--15 microm/h at 1300°C in a PO2 of 1x10 -5 atm for single crystal growth with limited matrix coarsening. Using these conditions, a patterned microstructure in BaTiO3 was obtained. With the metal-mediated single crystal growth technique, a novel approach for fabricating 2-2 single crystal/polymer composites with a kerf < 5 microns was demonstrated. Surface templated grain growth was used to propagate a single crystal interface into a polycrystalline BaTiO3 or Ba(Zr0.05 Ti0.95)O3 matrix with lamellar nickel layers. The grain growth evolution and texture development were studied using both [001] and [110] BaTiO3 single crystals templates. By using a PO 2 of 1x10-11 atm during high temperature heat treatment, matrix coarsening was limited while enabling single crystal boundary motion up to 0.35 mm during growth between 1250°C and 1300°C with growth rates ˜ 3--4 microm/h for both single crystal orientations. By removing the inner electrodes, 2-2 single crystal (or ceramic) composites were prepared. The piezoelectric and dielectric properties of the composites of the two compositions were measured. The d33 and d31 of the composites were similar to the polycrystalline ceramic of the same composition.

High rate capability of a BaTiO3-decorated LiCoO2 cathode prepared via metal organic decomposition

NASA Astrophysics Data System (ADS)

Teranishi, Takashi; Katsuji, Naoto; Yoshikawa, Yumi; Yoneda, Mika; Hayashi, Hidetaka; Kishimoto, Akira; Yoda, Koji; Motobayashi, Hidefumi; Tasaki, Yuzo

2016-10-01

Metal organic decomposition (MOD) using octylic acid salts was applied to synthesize a BaTiO3-LiCoO2 (BT-LC) composite powder. The Ba and Ti octylates were utilized as metal precursors, in an attempt to synthesize homogeneous BT nanoparticles on the LC matrix. The BT-LC composite, having a phase-separated composite structure without any impurity phase, was successfully obtained by optimizing the MOD procedure. The composite prepared using octylate precursors exhibited a sharper distribution and better dispersibility of decorated BT particles. Additionally, the average particle size of the decorated BTs using metal octylate was reduced to 23.3 nm, compared to 44.4 nm from conventional processes using Ba acetate as well as Ti alkoxide as precursors. The composite cathode displayed better cell performance than its conventional counterpart; the discharge capacity of the metal octylate-derived specimen was 55.6 mAh/g at a 50C rate, corresponding to 173% of the capacity of the conventional specimen (32.2 mAh/g). The notable improvement in high rate capability obtained in this study, compared with the conventional route, was attributed to the higher density of the triple junction formed by the BT-LC-electrolyte interface.

Ferroelectric BaTiO3 and LiNbO3 Nanoparticles Dispersed in Ferroelectric Liquid Crystal Mixtures: Electrooptic and Dielectric (Postprint)

DTIC Science & Technology

2016-10-14

Nematic Liquid Crystals allowing for rapidly changing moving pictures during the time frame below about 5-10 ms. Ferroelectric Liquid Crystals (FLCs...could fill this gap bearing some advantages over Nematic Liquid Crystals , mainly a fast switching time in the microsecond range, better optical...AFRL-RX-WP-JA-2017-0210 FERROELECTRIC BaTiO3 AND LiNbO3 NANOPARTICLES DISPERSED IN FERROELECTRIC LIQUID CRYSTAL MIXTURES: ELECTROOPTIC

Growth of Nanoscale BaTiO3/SrTiO3 Superlattices by Molecular-Beam Epitaxy

DTIC Science & Technology

2008-05-01

also of interest for novel acous- tic phonon devices including mirrors, filters, and cavities for coherent acoustic phonon generation and control...phonon “laser”).4 The structure of these devices is de- termined by the acoustic phonon wavelength, which is typically in the range of a few nanometers...nanoscale [(BaTiO3)n /(SrTiO3)m]p superlattices with atomically abrupt interfaces that are vital for the perfor- mance of acoustic phonon devices as

Processing effects on the microstructure and dielectric properties of hydrothermal barium titanate and (barium,strontium)titanate thin films

NASA Astrophysics Data System (ADS)

McCormick, Mark Alan

The goal of this work was to produce BaTiO3 and BaxSr (1-x)TiO3 (BST) thin films with high dielectric constants, using a low-temperature (<100°C) hydrothermal synthesis route. To accomplish this, titanium metal-organic precursor films were spin-cast onto metal-coated glass substrates and converted to polycrystalline BaTiO3 or BST upon reacting in aqueous solutions of Ba(OH)2 or Ba(OH)2 and Sr(OH)2. The influences of solution molarity, processing temperature, and reaction time on thin film reaction kinetics, microstructure, and dielectric properties were examined for BaTiO3 films. Post-deposition annealing at temperatures as low as 200°C substantially affected the lattice parameter, dielectric constant, and dielectric loss. This behavior is explained in terms of hydroxyl defect incorporation during film formation. Current-voltage (I-V) measurements were performed to determine the dominant conduction mechanism(s) during application of a do field, and to extract the metal/ceramic barrier height. In particular, Schottky barrier-limited conduction and Poole-Frenkel conduction were investigated as potential leakage mechanisms. For BST thin films, film stoichiometry deviated from the initial solution composition, with a preferred incorporation of Sr2+ into the perovskite lattice. The dielectric constant of the BST films was measured as a function of composition (Ba:Sr ratio) and temperature over the range 25--150°C. Finally, capacitance-voltage (C-V) measurements were made for BST films to determine the influence of film composition on dielectric tunability.

Enhancement of tetragonal anisotropy and stabilisation of the tetragonal phase by Bi/Mn-double-doping in BaTiO3 ferroelectric ceramics

PubMed Central

Yabuta, Hisato; Tanaka, Hidenori; Furuta, Tatsuo; Watanabe, Takayuki; Kubota, Makoto; Matsuda, Takanori; Ifuku, Toshihiro; Yoneda, Yasuhiro

2017-01-01

To stabilise ferroelectric-tetragonal phase of BaTiO3, the double-doping of Bi and Mn up to 0.5 mol% was studied. Upon increasing the Bi content in BaTiO3:Mn:Bi, the tetragonal crystal-lattice-constants a and c shrank and elongated, respectively, resulting in an enhancement of tetragonal anisotropy, and the temperature-range of the ferroelectric tetragonal phase expanded. X-ray absorption fine structure measurements confirmed that Bi and Mn were located at the A(Ba)-site and B(Ti)-site, respectively, and Bi was markedly displaced from the centrosymmetric position in the BiO12 cluster. This A-site substitution of Bi also caused fluctuations of B-site atoms. Magnetic susceptibility measurements revealed a change in the Mn valence from +4 to +3 upon addition of the same molar amount of Bi as Mn, probably resulting from a compensating behaviour of the Mn at Ti4+ sites for donor doping of Bi3+ into the Ba2+ site. Because addition of La3+ instead of Bi3+ showed neither the enhancement of the tetragonal anisotropy nor the stabilisation of the tetragonal phase, these phenomena in BaTiO3:Mn:Bi were not caused by the Jahn-Teller effect of Mn3+ in the MnO6 octahedron, but caused by the Bi-displacement, probably resulting from the effect of the 6 s lone-pair electrons in Bi3+. PMID:28367973

Energy band alignment of antiferroelectric (Pb,La)(Zr,Sn,Ti)O3

NASA Astrophysics Data System (ADS)

Klein, Andreas; Lohaus, Christian; Reiser, Patrick; Dimesso, Lucangelo; Wang, Xiucai; Yang, Tongqing

2017-06-01

The energy band alignment of antiferroelectric (Pb,La)(Zr,Sn,Ti)O3 is studied with photoelectron spectroscopy using interfaces with high work function RuO2 and low work function Sn-doped In2O3 (ITO). It is demonstrated how spectral deconvolution can be used to determine absolute Schottky barrier heights for insulating materials with a high accuracy. Using this approach it is found that the valence band maximum energy of (Pb,La)(Zr,Sn,Ti)O3 is found to be comparable to that of Pb- and Bi-containing ferroelectric materials, which is ∼1 eV higher than that of BaTiO3. The results provide additional evidence for the occupation of the 6s orbitals as origin of the higher valence band maximum, which is directly related to the electrical properties of such compounds. The results also verify that the energy band alignment determined by photoelectron spectroscopy of as-deposited electrodes is not influenced by polarisation. The electronic structure of (Pb,La)(Zr,Sn,Ti)O3 should enable doping of the material without strongly modifying its insulating properties, which is crucial for high energy density capacitors. Moreover, the position of the energy bands should result in a great freedom of selecting electrode materials in terms of avoiding charge injection.

Dielectric properties of A- and B-site doped BaTiO 3: Effect of La and Ga

NASA Astrophysics Data System (ADS)

Gulwade, Devidas; Gopalan, Prakash

2009-06-01

Extremely small amounts of La and Ga doping on the A- and B-site of BaTiO 3, respectively, resulting in a solid solution of the type Ba 1-3xLa 2xTi 1-3yGa 4yO 3 have been investigated. The present work dwells on the influence of the individual dopants, namely La and Ga, on the dielectric properties of BaTiO 3. The compositions have been prepared by solid-state reaction. X-ray diffraction (XRD) reveals the presence of tetragonal (P4/mmm) phase. The XRD data has been analyzed using FULLPROF, a Rietveld refinement package. The microstructure have been studied by orientation imaging microscopy (OIM). The compositions have been characterized by dielectric spectroscopy between room temperature and 250 °C. Further, the nature of phase transition has been studied using high temperature XRD. The resulting compounds exhibit high dielectric constant, enhanced diffuseness and low temperature coefficient of capacitance.

In situ temperature measurements of reaction spaces under microwave irradiation using photoluminescent probes.

PubMed

Ano, Taishi; Kishimoto, Fuminao; Sasaki, Ryo; Tsubaki, Shuntaro; Maitani, Masato M; Suzuki, Eiichi; Wada, Yuji

2016-05-11

We demonstrate two novel methods for the measurement of the temperatures of reaction spaces locally heated by microwaves, which have been applied here to two example systems, i.e., BaTiO3 particles covered with a SiO2 shell (BaTiO3-SiO2) and layered tungstate particles. Photoluminescent (PL) probes showing the temperature-sensitivity in their PL lifetimes are located in the nanospaces of the above systems. In the case of BaTiO3-SiO2 core-shell particles, rhodamine B is loaded into the mesopores of the SiO2 shell covering the BaTiO3 core, which generates the heat through the dielectric loss of microwaves. The inner nanospace temperature of the SiO2 shell is determined to be 28 °C higher than the bulk temperature under microwave irradiation at 24 W. On the other hand, Eu(3+) is immobilized in the interlayer space of layered tungstate as the PL probe, showing that the nanospace temperature of the interlayer is only 4 °C higher than the bulk temperature. This method for temperature-measurement is powerful for controlling microwave heating and elucidates the ambiguous mechanisms of microwave special effects often observed in chemical reactions, contributing greatly to the practical application of microwaves in chemistry and materials sciences.

Study of the photovoltaic effect in thin film barium titanate

NASA Technical Reports Server (NTRS)

Grannemann, W. W.; Dharmadhikari, V. S.

1982-01-01

The basic mechanism associated with the photovoltaic phenomena observed in the R.F. sputtered BaTiO3/silicon system is presented. Series of measurements of short circuit photocurrents and open circuit photovoltage were made. The composition depth profiles and the interface characteristics of the BaTiO3/silicon system were investigated for a better understanding of the electronic properties. A Scanning Auger Microprobe combined with ion in depth profiling were used.

Preparation and Stoichiometry Effects on Microstructure and Properties of High Purity BaTiO3.

DTIC Science & Technology

1986-03-27

oxalate , citrate) salt solutions, from mixed alkoxide precursors or from hydrothermal solutions. Typical starting materials and reaction sequences...decomposition and calcination reactions to form the BaTiO compound. Both the oxalate and 3 hydrothermal processes show commnercial promise and are briefly...thermal decomposition of oxalates and by hydrothermal synthesis. As-received lots of mixed oxide and oxalate -derived powders had Ba:TI ratios of 0.997 and

Effect of BaTiO3 Nanopowder Concentration on Rheological Behaviour of Ceramic Inkjet Inks

NASA Astrophysics Data System (ADS)

Kyrpal, R.; Dulina, I.; Ragulya, A.

2015-04-01

The relationship between rheological properties of ceramic inkjet inks based on BaTiO3 nanopowder and solid phase concentration has been investigated. In the ink volume takes place the formation periodic colloidal structures (PCS). The determining factor of structure formation is powder-dispersant ratio. Structural constitution of in the system with the low pigment concentration represented as PCS2, that contains solid particles in deflocculated that stabilized by the presence of adsorption-solvate layers. Dilatant structure formation for such inks explained by constrained conditions of the interaction. Samples with high BaTiO3 concentration have been classified as PKS1. Dilatant properties of the PKS1 resulted in particles rearrangement under the influence of the flow. In the region of some values powder-dispersant ratio take place conversation PKS2 to PKS1 and ink structure transformation from monodisperse to aggregate state.

Complex-Shaped Microcomponents by the Reactive Conversion of Biology Templates

DTIC Science & Technology

2003-12-15

luminescent Eu-doped BaTiO3) and as structures for microfluidic mixing devices (e.g., based on electroosmotic flow). Optimization of the MgO conversion...ends of the iron tube. The tube was then crimped in the middle (to avoid physical mixing of the reactants) and the ends were welded shut. Upon heating...luminescent coatings (i.e., Eu-doped BaTiO 3 coatings on MgO), and ii) 3-D micro-structures for incorporation in electro-osmotic mixing devices (i.e., to

Potential Barrier Behavior of BaTiO3—(Bi0.5Na0.5)TiO3 Positive Temperature Coefficient of Resistivity Ceramic

NASA Astrophysics Data System (ADS)

Leng, Sen-Lin; Shi, Wei; Li, Guo-Rong; Zheng, Liao-Ying

2015-04-01

Not Available Supported by the Special Foundation for Scientists of Guizhou Province under Grant Nos KY[2012]102 and TZJF-2011-10, the Foundation of Key Laboratory of Inorganic Function Material and Device, the Chinese Academy of Sciences under Grant No KLIFMD2012-02, and the National Natural Science Foundation of China under Grant No 51462030.

Thin film processing of photorefractive BaTiO3

NASA Technical Reports Server (NTRS)

Schuster, Paul R.

1993-01-01

During the period covered by this report, October 11, 1991 through October 10, 1992, the research has progressed in a number of different areas. The sol-gel technique was initially studied and experimentally evaluated for depositing films of BaTiO3. The difficulties with the precursors and the poor quality of the films deposited lead to the investigation of pulsed laser deposition as an alternative approach. The development of the pulsed laser deposition technique has resulted in continuous improvements to the quality of deposited films of BaTiO3. The initial depositions of BaTiO3 resulted in amorphous films, however, as the pulsed laser deposition technique continued to evolve, films were deposited in the polycrystalline state, then the textured polycrystalline state, and most recently heteroepitaxial films have also been successfully deposited on cubic (100) oriented SrTiO3 substrates. A technique for poling samples at room temperature and in air is also undergoing development with some very preliminary but positive results. The analytical techniques, which include x-ray diffraction, ferroelectric analysis, UV-Vis spectrophotometry, scanning electron microscopy with x-ray compositional analysis, optical and polarized light microscopy, and surface profilometry have been enhanced to allow for more detailed evaluation of the samples. In the area of optical characterization, a pulsed Nd:YAG laser has been incorporated into the experimental configuration. Now data can also be acquired within various temporal domains resulting in more detailed information on the optical response of the samples and on their photorefractive sensitivity. The recent establishment of collaborative efforts with two departments at Johns Hopkins University and the Army Research Lab at Fort Belvoir has also produced preliminary results using the metallo-organic decomposition technique as an alternative method for thin film processing of BaTiO3. RF and DC sputtering is another film deposition approach that should be initiated in the near future. Other techniques for optical characterization, which may even allow for intragrannular (within single grains) investigations, are also being considered.

Energy shifts in photoemission lines during the tetragonal- to cubic-phase transition in BaTiO3 single crystals and systems with CoFe2O4 and NiFe2O4 overlayers

NASA Astrophysics Data System (ADS)

Welke, M.; Huth, P.; Dabelow, K.; Gorgoi, M.; Schindler, K.-M.; Chassé, A.; Denecke, R.

2018-05-01

In BaTiO3 the phase transition from tetragonal to cubic is connected with the disappearance of the ferroelectric polarization. In photoelectron spectroscopy huge transient shifts in the binding energies of all core-level photoemission lines have been observed while heating and cooling through the Curie temperature. Excitation energies from 2 keV to 6 keV have been used to show this to be a bulk effect and not a surface effect alone. These observations are discussed in terms of charging, which results from the disappearance of the ferroelectric polarization. This mechanism has previously been proposed as the origin of electron emission in ferroelectric materials. Besides the jump-like shifts, additional permanent shifts in binding energies have been observed for the tetragonal and the cubic phase. These experimental shifts have been related to theoretical ones from ab initio calculations. In addition to BaTiO3 single crystals, systems with CoFe2O4 and NiFe2O4 overlayers on BaTiO3 have been investigated. The low conductivity of these layers sets them apart from metallic overlayers like Fe or Co, where the shifts are suppressed. This difference adds further support for charging as the origin of the effect.

Shear-strain gradient induced polarization reversal in ferroelectric BaTiO3 thin films: A first-principles total-energy study

NASA Astrophysics Data System (ADS)

Li, Guannan; Huang, Xiaokun; Hu, Jingsan; Zhang, Weiyi

2017-04-01

Based on the first-principles total-energy calculation, we have studied the shear-strain gradient effect on the polarization reversal of ferroelectric BaTiO3 thin films. By calculating the energies of double-domain supercells for different electric polarization, shear-strain gradients, and domain-wall displacement, we extracted, in addition to the domain-wall energy, the polarization energy, elastic energy, and flexoelectric coefficient of a single domain. The constructed Landau-Devonshire phenomenological theory yields a critical shear-strain gradient of 9.091 ×107/m (or a curvature radius (R ) of 110 Å) for reversing the 180∘ domain at room temperature, which is on the same order of the experimentally estimated value of 3.333 ×107/m (R =300 Å ). In contrast to the commonly used linear response theory, the flexoelectric coefficient derived from fitting the total energy to a Landau-Devonshire energy functional does not depend on the specific pseudopotential. Thus, our method offers an alternative numerical approach to study the flexoelectric effect.

Dielectric and Impedance Characteristics of Nickel-Modified BiFeO3-BaTiO3 Electronic Compound

NASA Astrophysics Data System (ADS)

Das, S. N.; Pardhan, S. K.; Bhuyan, S.; Sahoo, S.; Choudhary, R. N. P.; Goswami, M. N.

2018-01-01

The temperature- and field-dependent capacitive, resistive and conducting characteristics of nickel-modified binary electronic systems of bismuth ferrite (BiFeO3) and barium titanate (BaTiO3) have been investigated using dielectric and impedance spectroscopy techniques. The orthorhombic crystal structures of the solid solution (Bi1-2xNixBax)(Fe1-2xTi0.2x)O3 (with x = 0.10, 0.15, 0.20 and 0.25) have been identified from powder x-ray crystallography. The micrographs exhibit the development of dense samples with reduced grain size for higher percentage of Ni in the BiFeO3-BaTiO3. The stoichiometric content of each sample has been realized using the energy dispersive x-ray technique. The relationship between micro-structural study and frequency-temperature-dependent electrical properties of the compound has revealed a negative temperature coefficient of resistance behavior. A non-Debye-type relaxation process is observed from the Niquist plot. The studied compound presents important dielectric properties for the formulation of electronic devices.

Cyclic electrical conductivity in BaTiO3-PbTiO3-V2O5 glass-ceramic nanocomposite

NASA Astrophysics Data System (ADS)

Bahgat, A. A.; Heikal, Sh.; Mahdy, Iman A.; Abd-Rabo, A. S.; Abdel Ghany, A.

2014-08-01

In this present work a glass of the composition 22.5 BaTiO3+7.5 PbTiO3+70 V2O5 was prepared by applying the conventional melt quashing technique. Isothermal annealing of the glass was applied at 732 K following differential scanning calorimetric analysis. The annealing was performed during different time intervals in the range of 0.25-24.0 h. X-ray diffraction and transmission electron microscopy were used to identify different phases as well as particle size precipitated during the annealing process. Nanocomposite glass-ceramic precipitation was recognized with nonperiodic cyclic particle sizes as a function of the annealing period. DC electrical conductivity, on the other hand, was conducted in the temperature range from 300 to 625 K. Electrical conductivity enhancement of the order 3×103 times after 2.5 h of annealing was observed. Nonperiodic cyclic DC electrical conductivity behavior was also observed and which was encountered in a reverse manner with particle size development. Furthermore, the analysis of the electrical conduction mechanism predicts that both adiabatic and nonadiabatic small polaron hopping trend may describe the experimental data depending on the particle size.

Evolution from successive phase transitions to "morphotropic phase boundary" in BaTiO3-based ferroelectrics

NASA Astrophysics Data System (ADS)

Zhou, Chao; Ke, Xiaoqin; Yao, Yonggang; Yang, Sen; Ji, Yuanchao; Liu, Wenfeng; Yang, Yaodong; Zhang, Lixue; Hao, Yanshuang; Ren, Shuai; Zhang, Le; Ren, Xiaobing

2018-04-01

Obtaining superior physical properties for ferroic materials by manipulating the phase transitions is a key concern in solid state physics. Here, we investigated the dielectric permittivity, piezoelectric coefficient d33, storage modulus, and crystal symmetry of (1-x)Ba(Ti0.8Zr0.2)O3-x(Ba1-yCay)TiO3 (BZT-xBCyT) systems to demonstrate the gradual evolution process from successive phase transitions in BaTiO3 to the morphotropic phase boundary (MPB) regime in BZT-xBC0.3T. Furthermore, we analysed with a Landau-type theoretical model to show that the high field-sensitive response (dielectric permittivity) originates from a small polarization anisotropy and low energy barrier at the quadruple point. Together, the intermediate orthorhombic phase regime and the tetragonal-orthorhombic and orthorhombic-rhombohedral phase boundaries constitute the MPB. Our work not only reconciles the arguments regarding whether the structural state around the MPB corresponds to a single-phase regime or a multiple-phase-coexistence regime but also suggests an effective method to design high-performance functional ferroic materials by tailoring the successive phase transitions.

Molecular Catalysis at Polarized Interfaces Created by Ferroelectric BaTiO3 (Postprint)

DTIC Science & Technology

2017-02-06

product ratio to 4.5 : 1.0. Next, 4b was attached to various ferroelectric and non-ferroelectric oxides studied . Reactions performed with 2 mM 1 and...interfaces without applying a voltage. We studied the effects of ferroelectric oxides on the selectivity of an Rh porphyrin-catalyzed carbene...rearrangement. The addition of ferroelectric BaTiO3 nanoparticles to the reaction solution changed the product ratio in the same direction and by a similar

Development of n- and p-type Doped Perovskite Single Crystals Using Solid-State Single Crystal Growth (SSCG) Technique

DTIC Science & Technology

2017-10-09

doped BaTiO3 single crystal) could be also fabricated by using a BaTiO3 ceramics with the same compositional gradient (Fig. 8). This result has...piezoelectric applications. Compositionally PZT ceramics lie near the MPB between the tetragonal and rhombohedral phases and MPB compositions ...single crystal growth) technique are suitable to grow a variety of “n- and p-type doped” perovskite single crystals of complicated compositions . The

Ceramic Translations. Volume 41. Grain Boundaries and Interfacial Phenomena in Electronic Ceramics

DTIC Science & Technology

1994-01-01

will be dealt with below. EXPERIMENTAL PROCEDURE Two BaTiO 3 powders were examined. The first was a commercially prepared hydrothermal powder whilst...the second was hydrothermally grown in the present work to an average particle size (0.28 To the extent authorized under the laws of the United States...program [14]. Particle sizes were determined with a JEOL JXA-840 scanning electron microscope running at 15 keV. Fresh commercial hydrothermal BaTiO 3

Theoretical prediction of morphotropic compositions in Na1/2Bi1/2TiO3-based solid solutions from transition pressures

NASA Astrophysics Data System (ADS)

Gröting, Melanie; Albe, Karsten

2014-02-01

In this article we present a method based on ab initio calculations to predict compositions at morphotropic phase boundaries in lead-free perovskite solid solutions. This method utilizes the concept of flat free energy surfaces and involves the monitoring of pressure-induced phase transitions as a function of composition. As model systems, solid solutions of Na1/2Bi1/2TiO3 with the alkali substituted Li1/2Bi1/2TiO3 and K1/2Bi1/2TiO3 and the alkaline earth substituted CaTiO3 and BaTiO3 are chosen. The morphotropic compositions are identified by determining the composition at which the phase transition pressure equals zero. In addition, we discuss the different effects of hydrostatic pressure (compression and tension) and chemical substitution on the antiphase tilts about the [111] axis (a-a-a-) present in pure Na1/2Bi1/2TiO3 and how they develop in the two solid solutions Na1/2Bi1/2TiO3-CaTiO3 and Na1/2Bi1/2TiO3-BaTiO3. Finally, we discuss the advantages and shortcomings of this simple computational approach.

Electron paramagnetic resonance of Nb-doped BaTiO3 ceramics with positive temperature coefficient of resistivity

NASA Astrophysics Data System (ADS)

Jida, Shin'suke; Miki, Toshikatsu

1996-11-01

Paramagnetic centers in Nb-doped BaTiO3 ceramics are measured at 77-500 K by electron paramagnetic resonance (EPR) for investigating the role of the centers on the well-known positive temperature coefficient of resistivity (PTCR) effect (PTCR at the Curie temperature). EPR detects four signals; an anisotropically broad singlet signal at g=2.005, a sextet signal due to Mn2+, a Cr3+ signal, and a Ti3+ signal. The former two signals arise in the rhombohedral and cubic phases, but disappear in the tetragonal and orthorhombic phases. The Cr3+ signal appears in all of the phases, while the Ti3+ signal is detected only at low temperatures. The singlet signal also arises in undoped, barium-deficient BaTiO3 ceramics, therefore the signal is attributable to barium-vacancy-associated centers rather than Nb4+ ions or Fe3+ ions proposed by several authors. In this article, we propose that the singlet signal is due to vacancy-pairs of VBa-F+ type, i.e., the vacancy pair of VBa-VO capturing one electron. The electrical resistivity data show a polaronic character of low-temperature conduction and a high resistivity jump around the Curie temperature. The low-temperature polaronic conduction is explained in terms of electron-hopping between Ti4+ and Ti3+ ions. The resistivity jump at the Curie temperature occurs along with the EPR intensity increase of the singlet signal, the Mn2+ signal and the Cr3+ signal. We conclude that the PTCR of Nb-doped BaTiO3 ceramics is strongly associated with the trap activation of the VBa-VO vacancy-pairs and manganese centers at the tetragonal-to-cubic transition.

High permittivity polyaniline-barium titanate nanocomposites with excellent electromagnetic interference shielding response

NASA Astrophysics Data System (ADS)

Saini, Parveen; Arora, Manju; Gupta, Govind; Gupta, Bipin Kumar; Singh, Vidya Nand; Choudhary, Veena

2013-05-01

Organic conductive polymers are at the forefront of materials science research because of their diverse applications built around their interesting and unique properties. This work reports for the first time a correlation between the structural, electrical, and electromagnetic properties of polyaniline (PANI)-tetragonal BaTiO3 (TBT) nanocomposites prepared by in-situ emulsion polymerization. XRD studies and HRTEM micrographs of these nanocomposites clearly revealed the incorporation of TBT nanoparticles in the conducting PANI matrix. EPR and XPS measurements reveal that increase in loading level of BaTiO3 results in a reduction of the doping level of PANI. The Ku-Band (12.4-18 GHz) network analysis of these composites shows exceptional microwave shielding response with absorption dominated total shielding effectiveness (SET) value of -71.5 dB (blockage of more than 99.99999% of incident radiation) which is the highest value reported in the literature. Such a high attenuation level, which critically depends on the fraction of BaTiO3 is attributed to optimized dielectric and electrical attributes. This demonstrates the possibility of using these materials in stealth technology and for making futuristic radar absorbing materials (RAMs).Organic conductive polymers are at the forefront of materials science research because of their diverse applications built around their interesting and unique properties. This work reports for the first time a correlation between the structural, electrical, and electromagnetic properties of polyaniline (PANI)-tetragonal BaTiO3 (TBT) nanocomposites prepared by in-situ emulsion polymerization. XRD studies and HRTEM micrographs of these nanocomposites clearly revealed the incorporation of TBT nanoparticles in the conducting PANI matrix. EPR and XPS measurements reveal that increase in loading level of BaTiO3 results in a reduction of the doping level of PANI. The Ku-Band (12.4-18 GHz) network analysis of these composites shows exceptional microwave shielding response with absorption dominated total shielding effectiveness (SET) value of -71.5 dB (blockage of more than 99.99999% of incident radiation) which is the highest value reported in the literature. Such a high attenuation level, which critically depends on the fraction of BaTiO3 is attributed to optimized dielectric and electrical attributes. This demonstrates the possibility of using these materials in stealth technology and for making futuristic radar absorbing materials (RAMs). Electronic supplementary information (ESI) available. See DOI: 10.1039/c3nr00634d

Optical second harmonic images of 90 deg domain structure in BaTiO3 and periodically inverted antiparallel domains in LiTaO3

NASA Astrophysics Data System (ADS)

Uesu, Y.; Kurimura, S.; Yamamoto, Y.

1995-04-01

Applied is a microscope to observations of 90 deg ferroelectric domain structure in BaTiO3 and inverted periodically are ferroelectric domains in LiTaO3. It is founded that the second harmonic generation microscope gives information which cannot be obtained by ordinary optical microscopes. The developed nonlinear optical microscope builds two dimensional second harmonic image of a specimen with inhomogenous distribution of d(sub ijk) and applied the microscope to observations of inhomogeneity in some nonlinear-optical organic microcrystals.

Stimulated Scattering and Phase Conjugation in Photorefractive Materials

DTIC Science & Technology

1992-01-31

than the grating in the deep traps. Bal’iO3 . 2 -15 Recently Brost et al. explained the intensity We predict that if the shallow traps can accumulate a...BSO and BaTiO 3 and induced transparency for Sr < so. Brost et al." ob- for I < 101 V/cm,. served that optical absorption of their BaTiO3 sample at A...flop crystal). Brost et al.’ showed 0 < 71 -< 1. In addition the Debye screening wave vector, that ko increased by -50%,’c between I = 2 x 10 - 3 W/cm

Structural, morphological and Raman studies on hybridized PVDF/BaTiO3 nanocomposites

NASA Astrophysics Data System (ADS)

Rajamanickam, N.; Jayakumar, K.; Ramachandran, K.

2017-05-01

Hybridized nanocomposites of polyvinylidene fluoride (PVDF) and nano - barium titanate (BaTiO3) were prepared using the solution casting method for different concentrations of nano-BaTiO3 and were characterized by X-ray diffraction and scanning electron microscopy. The flower like structure for morphology was observed in SEM. Raman analysis showed that the modified BaTiO3 particles, due to higher specific surfaces, induce, predominantly, the crystallization of the electrically active β-phase of PVDF, while the initial micron size particles induce the formation of the most common but non-polar α-crystal form.

Electrical Conduction of Ba(Ti0.99Fe0.01)O3-δ Ceramic at High Temperatures

NASA Astrophysics Data System (ADS)

Yu, Zi-De; Chen, Xiao-Ming

2018-03-01

BaTiO3 and Ba(Ti0.99Fe0.01)O3-δ ceramics with dense microstructure have been synthesized by a solid-state reaction method, and their electrical conduction investigated by broadband electrical impedance spectroscopy at frequencies from 0.05 Hz to 3 × 106 Hz and temperatures from 200°C to 400°C. Compared with BaTiO3, the real part of the permittivity and the phase-transition temperature of Ba(Ti0.99Fe0.01)O3-δ decreased. Relaxation peaks appeared in the curves of the imaginary part of the permittivity as a function of frequency. With increase in frequency, the peaks gradually shifted towards higher frequency and their height increased. Conductivity was closely related to frequency and temperature. Frequency-dependent conductivity was analyzed using the Jonscher double power law. Compared with BaTO3, Ba(Ti0.99Fe0.01)O3-δ exhibited high impedance at given frequency and temperature. Impedance Cole-Cole plots displayed two semicircles, which could be well fit using two parallel RC equivalent circuit models. The conductivity activation energy was found to be around 1 eV. For Ba(Ti0.99Fe0.01)O3-δ , the electrical modulus curve versus frequency displayed two peaks.

Electrical Conduction of Ba(Ti0.99Fe0.01)O3- δ Ceramic at High Temperatures

NASA Astrophysics Data System (ADS)

Yu, Zi-De; Chen, Xiao-Ming

2018-07-01

BaTiO3 and Ba(Ti0.99Fe0.01)O3- δ ceramics with dense microstructure have been synthesized by a solid-state reaction method, and their electrical conduction investigated by broadband electrical impedance spectroscopy at frequencies from 0.05 Hz to 3 × 106 Hz and temperatures from 200°C to 400°C. Compared with BaTiO3, the real part of the permittivity and the phase-transition temperature of Ba(Ti0.99Fe0.01)O3- δ decreased. Relaxation peaks appeared in the curves of the imaginary part of the permittivity as a function of frequency. With increase in frequency, the peaks gradually shifted towards higher frequency and their height increased. Conductivity was closely related to frequency and temperature. Frequency-dependent conductivity was analyzed using the Jonscher double power law. Compared with BaTO3, Ba(Ti0.99Fe0.01)O3- δ exhibited high impedance at given frequency and temperature. Impedance Cole-Cole plots displayed two semicircles, which could be well fit using two parallel RC equivalent circuit models. The conductivity activation energy was found to be around 1 eV. For Ba(Ti0.99Fe0.01)O3- δ , the electrical modulus curve versus frequency displayed two peaks.

Dielectric Performance of High Permitivity Nanocomposites: Impact of Polystyrene Grafting on BaTiO3 and TiO2

DTIC Science & Technology

2016-09-22

group of polymer grafted, hairy nanopar- ticles (HNPs) that feature high εr and refractive index core plus a polymer corona with tunable structure.15–17...Supporting Information, Fig. S6. Discharge efficiency was comparable for 3% v/v PS@BaTiO3 + PS and 4% v/v PS + BaTiO3 and main- tain a value of >85% for...BaTiO3 traditional blend films displayed a marked reduction in break- down strength, decreasing from 139 V/μm at 3% v/v down to Figure 6 Energy discharge

Magnetic Orders of LaTiO3 and YTiO3 Under Epitaxial Strain: a First-Principles study

NASA Astrophysics Data System (ADS)

Weng, Yakui; Huang, Xin; Tang, Yankun; Dong, Shuai

2014-03-01

Perovskite RTiO3 family is a typical Mott-insulator with localized 3d electrons. In this work, the epitaxial strain effects on the ground magnetic orders of LaTiO3 and YTiO3 films have been studied using the first-principles density-functional theory. For the YTiO3 films, A-type antiferromagnetic order emerges against the original ferromagnetic order under the in-plane compressive strain by LaAlO3 (001) substrate, although the A-type antiferromagnetic order does not exist in any RTiO3 bulks. Then, for the LaTiO3 films under the compressive strain, e.g. LaTiO3 films grown on LaAlO3, LaGaO3, and SrTiO3 substrates, undergo a phase transition from the original G-type antiferromagnetism to A-type antiferromagnetism. While under the tensile strain, e.g. grown on the BaTiO3 and LaScO3 substrate, LaTiO3 films show a tendency to transit to the C-type antiferromagnetism. Furthermore, our calculations find that the magnetic transitions under epitaxial strain do not change the insulating fact of LaTiO3 and YTiO3.

Ultralight, scalable, and high-temperature-resilient ceramic nanofiber sponges.

PubMed

Wang, Haolun; Zhang, Xuan; Wang, Ning; Li, Yan; Feng, Xue; Huang, Ya; Zhao, Chunsong; Liu, Zhenglian; Fang, Minghao; Ou, Gang; Gao, Huajian; Li, Xiaoyan; Wu, Hui

2017-06-01

Ultralight and resilient porous nanostructures have been fabricated in various material forms, including carbon, polymers, and metals. However, the development of ultralight and high-temperature resilient structures still remains extremely challenging. Ceramics exhibit good mechanical and chemical stability at high temperatures, but their brittleness and sensitivity to flaws significantly complicate the fabrication of resilient porous ceramic nanostructures. We report the manufacturing of large-scale, lightweight, high-temperature resilient, three-dimensional sponges based on a variety of oxide ceramic (for example, TiO 2 , ZrO 2 , yttria-stabilized ZrO 2 , and BaTiO 3 ) nanofibers through an efficient solution blow-spinning process. The ceramic sponges consist of numerous tangled ceramic nanofibers, with densities varying from 8 to 40 mg/cm 3 . In situ uniaxial compression in a scanning electron microscope showed that the TiO 2 nanofiber sponge exhibits high energy absorption (for example, dissipation of up to 29.6 mJ/cm 3 in energy density at 50% strain) and recovers rapidly after compression in excess of 20% strain at both room temperature and 400°C. The sponge exhibits excellent resilience with residual strains of only ~1% at 800°C after 10 cycles of 10% compression strain and maintains good recoverability after compression at ~1300°C. We show that ceramic nanofiber sponges can serve multiple functions, such as elasticity-dependent electrical resistance, photocatalytic activity, and thermal insulation.

Ultralight, scalable, and high-temperature–resilient ceramic nanofiber sponges

PubMed Central

Wang, Haolun; Zhang, Xuan; Wang, Ning; Li, Yan; Feng, Xue; Huang, Ya; Zhao, Chunsong; Liu, Zhenglian; Fang, Minghao; Ou, Gang; Gao, Huajian; Li, Xiaoyan; Wu, Hui

2017-01-01

Ultralight and resilient porous nanostructures have been fabricated in various material forms, including carbon, polymers, and metals. However, the development of ultralight and high-temperature resilient structures still remains extremely challenging. Ceramics exhibit good mechanical and chemical stability at high temperatures, but their brittleness and sensitivity to flaws significantly complicate the fabrication of resilient porous ceramic nanostructures. We report the manufacturing of large-scale, lightweight, high-temperature resilient, three-dimensional sponges based on a variety of oxide ceramic (for example, TiO2, ZrO2, yttria-stabilized ZrO2, and BaTiO3) nanofibers through an efficient solution blow-spinning process. The ceramic sponges consist of numerous tangled ceramic nanofibers, with densities varying from 8 to 40 mg/cm3. In situ uniaxial compression in a scanning electron microscope showed that the TiO2 nanofiber sponge exhibits high energy absorption (for example, dissipation of up to 29.6 mJ/cm3 in energy density at 50% strain) and recovers rapidly after compression in excess of 20% strain at both room temperature and 400°C. The sponge exhibits excellent resilience with residual strains of only ~1% at 800°C after 10 cycles of 10% compression strain and maintains good recoverability after compression at ~1300°C. We show that ceramic nanofiber sponges can serve multiple functions, such as elasticity-dependent electrical resistance, photocatalytic activity, and thermal insulation. PMID:28630915

Ultrafast terahertz-field-driven ionic response in ferroelectric BaTiO 3

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, F.; Zhu, Y.; Liu, S.

The dynamical processes associated with electric field manipulation of the polarization in a ferroelectric remain largely unknown but fundamentally determine the speed and functionality of ferroelectric materials and devices. Here we apply subpicosecond duration, single-cycle terahertz pulses as an ultrafast electric field bias to prototypical BaTiO 3 ferroelectric thin films with the atomic-scale response probed by femtosecond x-ray-scattering techniques. We show that electric fields applied perpendicular to the ferroelectric polarization drive large-amplitude displacements of the titanium atoms along the ferroelectric polarization axis, comparable to that of the built-in displacements associated with the intrinsic polarization and incoherent across unit cells. Thismore » effect is associated with a dynamic rotation of the ferroelectric polarization switching on and then off on picosecond time scales. These transient polarization modulations are followed by long-lived vibrational heating effects driven by resonant excitation of the ferroelectric soft mode, as reflected in changes in the c-axis tetragonality. The ultrafast structural characterization described here enables a direct comparison with first-principles-based molecular-dynamics simulations, with good agreement obtained.« less

Ultrafast terahertz-field-driven ionic response in ferroelectric BaTiO 3

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, F.; Zhu, Y.; Liu, S.

The dynamical processes associated with electric field manipulation of the polarization in a ferroelectric remain largely unknown but fundamentally determine the speed and functionality of ferroelectric materials and devices. Here in this paper we apply subpicosecond duration, single-cycle terahertz pulses as an ultrafast electric field bias to prototypical BaTiO 3 ferroelectric thin films with the atomic-scale response probed by femtosecond x-ray-scattering techniques. We show that electric fields applied perpendicular to the ferroelectric polarization drive large-amplitude displacements of the titanium atoms along the ferroelectric polarization axis, comparable to that of the built-in displacements associated with the intrinsic polarization and incoherent acrossmore » unit cells. This effect is associated with a dynamic rotation of the ferroelectric polarization switching on and then off on picosecond time scales. These transient polarization modulations are followed by long-lived vibrational heating effects driven by resonant excitation of the ferroelectric soft mode, as reflected in changes in the c-axis tetragonality. The ultrafast structural characterization described here enables a direct comparison with first-principles-based molecular-dynamics simulations, with good agreement obtained.« less

Ultrafast terahertz-field-driven ionic response in ferroelectric BaTiO 3

DOE PAGES

Chen, F.; Zhu, Y.; Liu, S.; ...

2016-11-22

The dynamical processes associated with electric field manipulation of the polarization in a ferroelectric remain largely unknown but fundamentally determine the speed and functionality of ferroelectric materials and devices. Here in this paper we apply subpicosecond duration, single-cycle terahertz pulses as an ultrafast electric field bias to prototypical BaTiO 3 ferroelectric thin films with the atomic-scale response probed by femtosecond x-ray-scattering techniques. We show that electric fields applied perpendicular to the ferroelectric polarization drive large-amplitude displacements of the titanium atoms along the ferroelectric polarization axis, comparable to that of the built-in displacements associated with the intrinsic polarization and incoherent acrossmore » unit cells. This effect is associated with a dynamic rotation of the ferroelectric polarization switching on and then off on picosecond time scales. These transient polarization modulations are followed by long-lived vibrational heating effects driven by resonant excitation of the ferroelectric soft mode, as reflected in changes in the c-axis tetragonality. The ultrafast structural characterization described here enables a direct comparison with first-principles-based molecular-dynamics simulations, with good agreement obtained.« less

Polarization-induced interfacial coupling modulations in BaTiO3/GaN heterojunction devices

NASA Astrophysics Data System (ADS)

Bhat, Thirumaleshwara N.; Pandey, B. K.; Krupanidhi, S. B.

2017-07-01

We report on the ferroelectric polarization-induced switchable interfacial coupling modulations in BaTiO3/GaN heterojunction transport behaviour. The ferroelectric barium titanate, BaTiO3 (BTO) was integrated with polar semiconductor gallium nitride (GaN). BTO with a tetragonal structure was deposited on a wurtzite (0 0 0 1) epitaxial GaN/c-Al2O3 substrate by pulsed laser deposition, which was further confirmed by x-ray diffraction and Raman spectroscopy. BTO/GaN heterojunctions with resistive switching behaviour exhibited modulations in transport characteristics due to the interfacial coupling. The ferroelectric nature and interfacial coupling effect of this heterojunction was confirmed with the help of piezo-response force microscopy. A valence band offset of 0.82 eV and conduction band offset of 0.62 eV were obtained for BTO/GaN heterojunctions by x-ray photo-electron spectroscopy. This interfacial coupling phenomenon was analysed and its effect on the carrier conduction in the heterojunction was investigated by band alignment studies.

Complementary resistive switching in BaTiO3/NiO bilayer with opposite switching polarities

NASA Astrophysics Data System (ADS)

Li, Shuo; Wei, Xianhua; Lei, Yao; Yuan, Xincai; Zeng, Huizhong

2016-12-01

Resistive switching behaviors have been investigated in the Au/BaTiO3/NiO/Pt structure by stacking the two elements with different switching types. The conducting atomic force microscope measurements on BaTiO3 thin films and NiO thin films suggest that with the same active resistive switching region, the switching polarities in the two semiconductors are opposite to each other. It is in agreement with the bipolar hysteresis I-V curves with opposite switching polarities for single-layer devices. The bilayer devices show complementary resistive switching (CRS) without electroforming and unipolar resistive switching (URS) after electroforming. The coexistence of CRS and URS is mainly ascribed to the co-effect of electric field and Joule heating mechanisms, indicating that changeable of resistance in this device is dominated by the redistribution of oxygen vacancies in BaTiO3 and the formation, disruption, restoration of conducting filaments in NiO. CRS in bilayer with opposite switching polarities is effective to solve the sneak current without the introduction of any selector elements or an additional metal electrode.

Synthesis of flower-like BaTiO3/Fe3O4 hierarchically structured particles and their electrorheological and magnetic properties.

PubMed

Wang, Baoxiang; Yin, Yichao; Liu, Chenjie; Yu, Shoushan; Chen, Kezheng

2013-07-21

Flower-like BaTiO3/Fe3O4 hierarchically structured particles composed of nano-scale structures on micro-scale materials were synthesized by a simple solvothermal approach and characterized by the means of X-ray powder diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), magnetic testing and rotary viscometer. The influences on the morphology and structure of solvothermal times, type and amount of surfactant, EG : H2O ratio, etc. were studied. Magnetic testing results show that the samples have strong magnetism and they exhibit superparamagnetic behavior, as evidenced by no coercivity and the remanence at room temperature, due to their very small sizes, observed on the M-H loop. The saturation magnetization (M(s)) value can achieve 18.3 emu g(-1). The electrorheological (ER) effect was investigated using a suspension of the flower-like BaTiO3/Fe3O4 hierarchically structured particles dispersed in silicone oil. We can observe a slight shear-thinning behavior of shear viscosity at a low shear rate region even at zero applied electric field and a Newtonian fluid behavior at high shear rate regions.

Photorefractive Properties of Doped BaTiO3 and SBN

DTIC Science & Technology

1991-12-01

couple these competing effects. The first measurements of the photoinduced absorption in BaTiO 3 were performed by Motes et al 6 8 and Brost et al. 9...Mahgereftireh 𔄀 and Brost . 17 play a rolh in liTh phiothtoitittt absorption. If the shallow acceptor levels were the source of the p)hotoivi’ucetil a...Opt. Soc. Am. B4, 1379 (1987) 8. A. Motes, G. Brost , J. Rotge, and J. Kim, Opt. Lett. 13, 509 (1988) 9. G. A. Brost , R. A. Motes, and J. R. Rotge. J

Adaptive strain prompting a pseudo-morphotropic phase boundary in ferroelectric (1-x ) Na0.5Bi0.5TiO3-x BaTiO3

NASA Astrophysics Data System (ADS)

Datta, K.; Neder, R. B.; Richter, A.; Göbbels, M.; Neuefeind, J. C.; Mihailova, B.

2018-05-01

The understanding of the atomistic origin of the morphotropic phase boundary (MPB) occurring in composition-temperature phase diagrams of ferroelectric solid solutions is a key topic in material science because materials often exhibit anomalous properties at the MPB. Here we reveal mesoscopic-scale structural correlations for a leading Pb-free ferroelectric system, (1 -x ) Na0.5Bi0.5TiO3-x BaTiO3 (NBT-x BT ), by examining atomic pair distribution functions and Raman scattering data at ambient conditions. We demonstrate that the amplification of the piezoelectric properties of NBT-x BT at the MPB are predominantly driven by an easy switchability resulting from a progressive decoupling between strain and polarization as the Ba content increases from zero to the critical MPB composition. It was observed that as Ba content increases towards MPB, competing local correlations, such as A-site chemical order, antiferrodistortive correlations of correlated BO6 tilts, and antipolar Bi shifts, are reduced, which in turn renders favorable conditions for easy switching of local dipoles under external fields. In addition, the evolving characteristics of the atomic dynamics as a function of composition suggest that the local potential functions of the cations are not completely flat at the MPB. Altogether, our results reveal atomistic mechanisms responsible for the observed elevated MPB properties in the case of NBT-x BT which imply that the so-called MPB of NBT-x BT should not be categorized as originally introduced for Pb-containing solid solutions.

Texturing of sodium bismuth titanate-barium titanate ceramics by templated grain growth

NASA Astrophysics Data System (ADS)

Yilmaz, Huseyin

2002-01-01

Sodium bismuth titanate modified with barium titanate, (Na1/2Bi 1/2)TiO3-BaTiO3 (NBT-BT), is a candidate lead-free piezoelectric material which has been shown to have comparatively high piezoelectric response. In this work, textured (Na1/2Bi1/2)TiO 3-BaTiO3 (5.5mol% BaTiO3) ceramics with <100> pc (where pc denotes the pseudocubic perovskite cell) orientation were fabricated by Templated Grain Growth (TGG) or Reactive Templated Grain Growth (RTGG) using anisotropically shaped template particles. In the case of TGG, molten salt synthesized SrTiO3 platelets were tape cast with a (Na1/2Bi1/2)TiO3-5.5mol%BaTiO3 powder and sintered at 1200°C for up to 12 hours. For the RTGG approach, Bi4Ti3O12 (BiT) platelets were tape cast with a Na2CO3, Bi2O3, TiO 2, and BaCO3 powder mixture and reactively sintered. The TGG approach using SrTiO3 templates gave stronger texture along [001] compared to the RTGG approach using BiT templates. The textured ceramics were characterized by X-ray and electron backscatter diffraction for the quality of texture. The texture function was quantified by the Lotgering factor, rocking curve, pole figures, inverse pole figures, and orientation imaging microscopy. Electrical and electromechanical property characterization of randomly oriented and <001>pc textured (Na1/2Bi1/2)TiO 3-5.5 mol% BaTiO3 rhombohedral ceramics showed 0.26% strain at 70 kV/cm, d33 coefficients over 500 pC/N have been obtained for highly textured samples (f ˜ 90%). The piezoelectric coefficient from Berlincourt was d33 ˜ 200 pC/N. The materials show considerable hysteresis. The presence of hysteresis in the unipolar-electric field curve is probably linked to the ferroelastic phase transition seen in the (Na 1/2Bi1/2)TiO3 system on cooling from high temperature at ˜520°C. The macroscopic physical properties (remanent polarization, dielectric constant, and piezoelectric coefficient) of random and textured ([001] pc) rhombohedral perovskites were estimated by linear averaging of single crystal data. However, the complete polarization, dielectric, and piezoelectric tensors are not available for NBT-BT single crystals. Therefore, the properties of lead based (PZT, 52/48) rhombohedral ferroelectric single domain-single crystals, whose properties (polarization, dielectric and piezoelectric) were computed using Landau-Ginsburg-Devonshire phenomenological theory (by Haun et. al.), were used in the calculations for random and textured cases. (Abstract shortened by UMI.)

Giant tunnelling electroresistance in metal/ferroelectric/semiconductor tunnel junctions by engineering the Schottky barrier

PubMed Central

Xi, Zhongnan; Ruan, Jieji; Li, Chen; Zheng, Chunyan; Wen, Zheng; Dai, Jiyan; Li, Aidong; Wu, Di

2017-01-01

Recently, ferroelectric tunnel junctions have attracted much attention due to their potential applications in non-destructive readout non-volatile memories. Using a semiconductor electrode has been proven effective to enhance the tunnelling electroresistance in ferroelectric tunnel junctions. Here we report a systematic investigation on electroresistance of Pt/BaTiO3/Nb:SrTiO3 metal/ferroelectric/semiconductor tunnel junctions by engineering the Schottky barrier on Nb:SrTiO3 surface via varying BaTiO3 thickness and Nb doping concentration. The optimum ON/OFF ratio as great as 6.0 × 106, comparable to that of commercial Flash memories, is achieved in a device with 0.1 wt% Nb concentration and a 4-unit-cell-thick BaTiO3 barrier. With this thinnest BaTiO3 barrier, which shows a negligible resistance to the tunnelling current but is still ferroelectric, the device is reduced to a polarization-modulated metal/semiconductor Schottky junction that exhibits a more efficient control on the tunnelling resistance to produce the giant electroresistance observed. These results may facilitate the design of high performance non-volatile resistive memories. PMID:28513590

Giant tunnelling electroresistance in metal/ferroelectric/semiconductor tunnel junctions by engineering the Schottky barrier

NASA Astrophysics Data System (ADS)

Xi, Zhongnan; Ruan, Jieji; Li, Chen; Zheng, Chunyan; Wen, Zheng; Dai, Jiyan; Li, Aidong; Wu, Di

2017-05-01

Recently, ferroelectric tunnel junctions have attracted much attention due to their potential applications in non-destructive readout non-volatile memories. Using a semiconductor electrode has been proven effective to enhance the tunnelling electroresistance in ferroelectric tunnel junctions. Here we report a systematic investigation on electroresistance of Pt/BaTiO3/Nb:SrTiO3 metal/ferroelectric/semiconductor tunnel junctions by engineering the Schottky barrier on Nb:SrTiO3 surface via varying BaTiO3 thickness and Nb doping concentration. The optimum ON/OFF ratio as great as 6.0 × 106, comparable to that of commercial Flash memories, is achieved in a device with 0.1 wt% Nb concentration and a 4-unit-cell-thick BaTiO3 barrier. With this thinnest BaTiO3 barrier, which shows a negligible resistance to the tunnelling current but is still ferroelectric, the device is reduced to a polarization-modulated metal/semiconductor Schottky junction that exhibits a more efficient control on the tunnelling resistance to produce the giant electroresistance observed. These results may facilitate the design of high performance non-volatile resistive memories.

BaTiO3-based nanolayers and nanotubes: first-principles calculations.

PubMed

Evarestov, Robert A; Bandura, Andrei V; Kuruch, Dmitrii D

2013-01-30

The first-principles calculations using hybrid exchange-correlation functional and localized atomic basis set are performed for BaTiO(3) (BTO) nanolayers and nanotubes (NTs) with the structure optimization. Both the cubic and the ferroelectric BTO phases are used for the nanolayers and NTs modeling. It follows from the calculations that nanolayers of the different ferroelectric BTO phases have the practically identical surface energies and are more stable than nanolayers of the cubic phase. Thin nanosheets composed of three or more dense layers of (0 1 0) and (0 1 1[overline]) faces preserve the ferroelectric displacements inherent to the initial bulk phase. The structure and stability of BTO single-wall NTs depends on the original bulk crystal phase and a wall thickness. The majority of the considered NTs with the low formation and strain energies has the mirror plane perpendicular to the tube axis and therefore cannot exhibit ferroelectricity. The NTs folded from (0 1 1[overline]) layers may show antiferroelectric arrangement of Ti-O bonds. Comparison of stability of the BTO-based and SrTiO(3)-based NTs shows that the former are more stable than the latter. Copyright © 2012 Wiley Periodicals, Inc.

Disappearance of dielectric anomaly in spite of presence of structural phase transition in reduced BaTiO3: Effect of defect states within the bandgap

NASA Astrophysics Data System (ADS)

Sagdeo, Archna; Nagwanshi, Anjali; Pokhriyal, Preeti; Sinha, A. K.; Rajput, Parasmani; Mishra, Vikash; Sagdeo, P. R.

2018-04-01

We report the structural, optical, ferroelectric, and dielectric properties of reduced BaTiO3 samples. For this purpose, oxygen vacancies in BaTiO3 are created by heating these samples with a Ti metal in a vacuum environment at different temperatures. It is observed that with an increase in oxygen deficiencies, the c/a ratio decreases as compared to that of the oxygen treated sample. The ferroelectric properties of the oxygen deficient samples are visibly different as compared to those of the oxygen treated sample. The disappearance of the P-E loop and the anomaly in the temperature variation of the dielectric constant have been observed; however, the structural phase transition corresponding to ferroelectric phase transitions still persists. Thus, it appears that the anomaly in dielectric data and the presence of the P-E loop are getting masked possibly by the Maxwell-Wagner effect. The presence of Ti+3 states in the prepared samples has been confirmed by X-ray absorption near edge structure measurements. The Kubelka-Munk optical absorption shows the presence of extra states below fundamental transition, indicating the emergence of new electronic states within the bandgap, which might be due to Ti+3 states. These new states appear at different energy positions, and with different intensities for different samples, which are reduced in the presence of Ti. These new states within the bandgap appear to modify the electronic structure, thereby reducing the overall bandgap, and hence, they seem to modify the ferroelectric and dielectric properties of the samples. Our results may be treated as experimental evidence for theoretically proposed defect states in oxygen deficient or reduced BaTiO3.

Absence of systemic toxicity in mouse model towards BaTiO3 nanoparticulate based eluate treatment.

PubMed

Dubey, Ashutosh Kumar; Thrivikraman, Greeshma; Basu, Bikramjit

2015-02-01

One of the existing issues in implant failure of orthopedic biomaterials is the toxicity induced by the fine particles released during long term use in vivo, leading to acute inflammatory response. In developing a new class of piezobiocomposite to mimic the integrated electrical and mechanical properties of bone, bone-mimicking physical properties as well as in vitro cytocompatibility properties have been achieved with spark plasma sintered hydroxyapatite (HA)-barium titanate (BaTiO3) composites. However, the presence of BaTiO3 remains a concern towards the potential toxicity effect. To address this issue, present work reports the first result to conclusively confirm the non-toxic effect of HA-BaTiO3 piezobiocomposite nanoparticulates, in vivo. Twenty BALB/c mice were intra-articularly injected at their right knee joints with different concentrations of HA-BaTiO3 composite of up to 25 mg/ml. The histopathological examination confirmed the absence of any trace of injected particles or any sign of inflammatory reaction in the vital organs, such as heart, spleen, kidney and liver at 7 days post-exposure period. Rather, the injected nanoparticulates were found to be agglomerated in the vicinity of the knee joint, surrounded by macrophages. Importantly, the absence of any systemic toxicity response in any of the vital organs in the treated mouse model, other than a mild local response at the site of delivery, was recorded. The serum biochemical analyses using proinflammatory cytokines (TNF-α and IL-1β) also complimented to the non-immunogenic response to injected particulates. Altogether, the absence of any inflammatory/adverse reaction will open up myriad of opportunities for BaTiO3 based piezoelectric implantable devices in biomedical applications.

BaTiO3-core Au-shell nanoparticles for photothermal therapy and bimodal imaging.

PubMed

Wang, Yanfei; Barhoumi, Aoune; Tong, Rong; Wang, Weiping; Ji, Tianjiao; Deng, Xiaoran; Li, Lele; Lyon, Sophie A; Reznor, Gally; Zurakowski, David; Kohane, Daniel S

2018-05-01

We report sub-100 nm metal-shell (Au) dielectric-core (BaTiO 3 ) nanoparticles with bimodal imaging abilities and enhanced photothermal effects. The nanoparticles efficiently absorb light in the near infrared range of the spectrum and convert it to heat to ablate tumors. Their BaTiO 3 core, a highly ordered non-centrosymmetric material, can be imaged by second harmonic generation, and their Au shell generates two-photon luminescence. The intrinsic dual imaging capability allows investigating the distribution of the nanoparticles in relation to the tumor vasculature morphology during photothermal ablation. Our design enabled in vivo real-time tracking of the BT-Au-NPs and observation of their thermally-induced effect on tumor vessels. Photothermal therapy induced by plasmonic nanoparticles has emerged as a promising approach to treating cancer. However, the study of the role of intratumoral nanoparticle distribution in mediating tumoricidal activity has been hampered by the lack of suitable imaging techniques. This work describes metal-shell (Au) dielectric-core (BaTiO 3 ) nanoparticles (abbreviated as BT-Au-NP) for photothermal therapy and bimodal imaging. We demonstrated that sub-100 nm BT-Au-NP can efficiently absorb near infrared light and convert it to heat to ablate tumors. The intrinsic dual imaging capability allowed us to investigate the distribution of the nanoparticles in relation to the tumor vasculature morphology during photothermal ablation, enabling in vivo real-time tracking of the BT-Au-NPs and observation of their thermally-induced effect on tumor vessels. Copyright © 2018 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Order-disorder phenomena in the low-temperature phase of BaTiO3

NASA Astrophysics Data System (ADS)

Völkel, G.; Müller, K. A.

2007-09-01

X - and Q -band electron paramagnetic resonance measurements are reported on Mn4+ -doped BaTiO3 single crystals in the rhombohedral low-temperature phase. The Mn4+ probe ion is statistically substitute for the isovalent Ti4+ ion. The critical line broadening observed when approaching the phase transition to the orthorhombic phase demonstrates the presence of order-disorder processes within the off-center Ti subsystem and the formation of dynamic precursor clusters with a structure compatible with one of the orthorhombic phase. From the data it is concluded that BaTiO3 shows a special type of phase transition where displacive and order-disorder character are not only present at the cubic-tetragonal transition, but also at the orthorhombic-rhombohedral transition at low temperatures. The disappearance of the Mn4+ spectrum in the orthorhombic, tetragonal, and cubic phases can be interpreted as the consequence of the strong line broadening caused by changes of the instantaneous off-center positions in time around the averaged off-center position along a body diagonal.

Room-temperature resonant quantum tunneling transport of macroscopic systems.

PubMed

Xiong, Zhengwei; Wang, Xuemin; Yan, Dawei; Wu, Weidong; Peng, Liping; Li, Weihua; Zhao, Yan; Wang, Xinmin; An, Xinyou; Xiao, Tingting; Zhan, Zhiqiang; Wang, Zhuo; Chen, Xiangrong

2014-11-21

A self-assembled quantum dots array (QDA) is a low dimensional electron system applied to various quantum devices. This QDA, if embedded in a single crystal matrix, could be advantageous for quantum information science and technology. However, the quantum tunneling effect has been difficult to observe around room temperature thus far, because it occurs in a microcosmic and low temperature condition. Herein, we show a designed a quasi-periodic Ni QDA embedded in a single crystal BaTiO3 matrix and demonstrate novel quantum resonant tunneling transport properties around room-temperature according to theoretical calculation and experiments. The quantum tunneling process could be effectively modulated by changing the Ni QDA concentration. The major reason was that an applied weak electric field (∼10(2) V cm(-1)) could be enhanced by three orders of magnitude (∼10(5) V cm(-1)) between the Ni QDA because of the higher permittivity of BaTiO3 and the 'hot spots' of the Ni QDA. Compared with the pure BaTiO3 films, the samples with embedded Ni QDA displayed a stepped conductivity and temperature (σ-T curves) construction.

Base-Metal Electrode-Multilayer Ceramic Capacitors: Past, Present and Future Perspectives

NASA Astrophysics Data System (ADS)

Kishi, Hiroshi; Mizuno, Youichi; Chazono, Hirokazu

2003-01-01

Multilayer ceramic capacitor (MLCC) production and sales figures are the highest among fine-ceramic products developed in the past 30 years. The total worldwide production and sales reached 550 billion pieces and 6 billion dollars, respectively in 2000. In the course of progress, the development of base-metal electrode (BME) technology played an important role in expanding the application area. In this review, the recent progress in MLCCs with BME nickel (Ni) electrodes is reviewed from the viewpoint of nonreducible dielectric materials. Using intermediate-ionic-size rare-earth ion (Dy2O3, Ho2O3, Er2O3, Y2O3) doped BaTiO3 (ABO3)-based dielectrics, highly reliable Ni-MLCCs with a very thin layer below 2 μm in thickness have been developed. The effect of site occupancy of rare-earth ions in BaTiO3 on the electrical properties and microstructure of nonreducible dielectrics is studied systematically. It appears that intermediate-ionic-size rare-earth ions occupy both A- and B-sites in the BaTiO3 lattice and effectively control the donor/acceptor dopant ratio and microstructural evolution. The relationship between the electrical properties and the microstructure of Ni-MLCCs is also presented.

Electric-field-induced domain intersection in BaTiO3 single crystal

NASA Astrophysics Data System (ADS)

He, Ming; Wang, Mengxia; Zhang, Zhihua

2017-03-01

Large-angle convergent beam electron diffraction was used to determine the directions of polarization vectors in a BaTiO3 single crystal. Domain intersections driven by an electric field were investigated by in situ transmission electron microscopy. The dark triangles observed in the domain intersection region can be accounted for by dislocations and the strain field. Domains nucleate at the domain tip depending on the dislocations and strain field to relieve the accumulated stress. Schematic representations of the intersecting domains and the microscopic structure are given, clarifying the special electric-field-induced domain structure.

Voltage control of magnetic single domains in Ni discs on ferroelectric BaTiO3

NASA Astrophysics Data System (ADS)

Ghidini, M.; Zhu, B.; Mansell, R.; Pellicelli, R.; Lesaine, A.; Moya, X.; Crossley, S.; Nair, B.; Maccherozzi, F.; Barnes, C. H. W.; Cowburn, R. P.; Dhesi, S. S.; Mathur, N. D.

2018-06-01

For 1 µm-diameter Ni discs on a BaTiO3 substrate, the local magnetization direction is determined by ferroelectric domain orientation as a consequence of growth strain, such that single-domain discs lie on single ferroelectric domains. On applying a voltage across the substrate, ferroelectric domain switching yields non-volatile magnetization rotations of 90°, while piezoelectric effects that are small and continuous yield non-volatile magnetization reversals that are non-deterministic. This demonstration of magnetization reversal without ferroelectric domain switching implies reduced fatigue, and therefore represents a step towards applications.

Combined ellipsometry and refractometry technique for characterisation of liquid crystal based nanocomposites.

PubMed

Warenghem, Marc; Henninot, Jean François; Blach, Jean François; Buchnev, Oleksandr; Kaczmarek, Malgosia; Stchakovsky, Michel

2012-03-01

Spectroscopic ellipsometry is a technique especially well suited to measure the effective optical properties of a composite material. However, as the sample is optically thick and anisotropic, this technique loses its accuracy for two reasons: anisotropy means that two parameters have to be determined (ordinary and extraordinary indices) and optically thick means a large order of interference. In that case, several dielectric functions can emerge out of the fitting procedure with a similar mean square error and no criterion to discriminate the right solution. In this paper, we develop a methodology to overcome that drawback. It combines ellipsometry with refractometry. The same sample is used in a total internal reflection (TIR) setup and in a spectroscopic ellipsometer. The number of parameters to be determined by the fitting procedure is reduced in analysing two spectra, the correct final solution is found by using the TIR results both as initial values for the parameters and as check for the final dielectric function. A prefitting routine is developed to enter the right initial values in the fitting procedure and so to approach the right solution. As an example, this methodology is used to analyse the optical properties of BaTiO(3) nanoparticles embedded in a nematic liquid crystal. Such a methodology can also be used to analyse experimentally the validity of the mixing laws, since ellipsometry gives the effective dielectric function and thus, can be compared to the dielectric function of the components of the mixture, as it is shown on the example of BaTiO(3)/nematic composite.

Understanding the role of A-site and B-site cations on piezoelectric instability in lead--free (1-x) BaTiO3 -- xA(Cu1/3Nb2/3)O3 (A = Sr, Ca, Ba) solid solutions

NASA Astrophysics Data System (ADS)

Maurya, Deepam; Zhou, Yuan; Priya, Shashank

2013-03-01

This study provides fundamental understanding of the enhanced piezoelectric instability in lead-free piezoelectric (1-x) BaTiO3-xA(Cu1/3Nb2/3) O3(A: Sr, Ba and Ca and x = 0.0-0.03) solid solutions. These compositions were found to exhibit large longitudinal piezoelectric constant (d33) of ~330 pC/N and electromechanical planar coupling constant (kp) ~ 46% at room temperature. The X-ray diffraction coupled with atomic pair distribution functions (PDF)s indicated increase in local polarization. Raman scattering and electron paramagnetic resonance (EPR) analysis revealed that substitutions on A and B-site both substantially perturbed the local octahedral dynamics and resulted in localized nano polar regions with lower symmetry. The presence of nano domains and local structural distortions smears the Curie peak resulting in diffuse order-disorder type phase transitions. The effect of these distortions on the variations in physical property was modeled and analyzed within the context of nanodomains and phase transitions. *spriya@vt.edu The financial support from National Science Foundation and Office of Basic Energy Science, Department of Energy (Microscopy analysis) is gratefully acknowledged. The authors would also like to acknowledge the support from KIMS (new piezoelectric)

Induced Ti magnetization at La 0.7Sr 0.3MnO 3 and BaTiO 3 interfaces

DOE PAGES

Liu, Yaohua; Tornos, J.; te Velthuis, S. G. E.; ...

2016-04-01

In artificial multiferroics hybrids consisting of ferromagnetic La 0.7Sr 0.3MnO 3 (LSMO) and ferroelectric BaTiO 3 epitaxial layers, net Ti moments are found from polarized resonant soft x-ray reflectivity and absorption. The Ti dichroic reflectivity follows the Mn signal during the magnetization reversal, indicating exchange coupling between the Ti and Mn ions. However, the Ti dichroic reflectivity shows stronger temperature dependence than the Mn dichroic signal. Lastly, besides a reduced ferromagnetic exchange coupling in the interfacial LSMO layer, this may also be attributed to a weak Ti-Mn exchange coupling that is insufficient to overcome the thermal energy at elevated temperatures.

Mechanisms of Texture Development in Lead-Free Piezoelectric Ceramics with Perovskite Structure Made by the Templated Grain Growth Process

PubMed Central

Kimura, Toshio; Yi, Yuan; Sakurai, Fumito

2010-01-01

The mechanisms of texture development were examined for BaTiO3 and a (K,Na,Li)(Nb,Ta)O3 solid solution made by the templated grain growth method, and compared with the mechanism in Bi0.5(Na,K)0.5TiO3. The dominant mechanism was different in each material; grain boundary migration in BaTiO3, solid state spreading in Bi0.5(Na,K)0.5TiO3, and abnormal grain growth in the (K,Na,Li)(Nb,Ta)O3 solid solution. The factor determining the dominant mechanism is the degree of smoothness of surface structure at an atomic level. PMID:28883364

Optical and electrical properties of composites based on functional components of an electroluminescent layer

NASA Astrophysics Data System (ADS)

Avanesyan, V. T.; Rakina, A. V.; Sychov, M. M.; Vasina, E. S.

2016-07-01

Optical and electrical properties of cyanoethyl ether of polyvinyl alcohol with filling of barium titanate BaTiO3 modified by shungite carbon nanoparticles are studied. It is found that the modification affects the diffuse reflectance spectra and dispersion characteristics of the impedance components due to a change in the nature of interfacial interactions in the system. The values of the forbidden band width for various modifier and filler concentrations are determined.

Quantitative evaluation of the piezoelectric response of unpoled ferroelectric ceramics from elastic and dielectric measurements: Tetragonal BaTiO3

NASA Astrophysics Data System (ADS)

Cordero, F.

2018-03-01

A method is proposed for evaluating the potential piezoelectric response, that a ferroelectric material would exhibit after full poling, from elastic and dielectric measurements of the unpoled ceramic material. The method is based on the observation that the softening in a ferroelectric phase with respect to the paraelectric phase is of piezoelectric origin, and is tested on BaTiO3. The angular averages of the piezoelectric softening in unpoled ceramics are calculated for ferroelectric phases of different symmetries. The expression of the orientational average with the piezoelectric and dielectric constants of single crystal tetragonal BaTiO3 from the literature reproduces well the softening of the Young's modulus of unpoled ceramic BaTiO3, after a correction for the porosity. The agreement is good in the temperature region sufficiently far from the Curie temperature and from the transition to the orthorhombic phase, where the effect of fluctuations should be negligible, but deviations are found outside this region, and possible reasons for this are discussed. This validates the determination of the piezoelectric response by means of purely elastic measurements on unpoled samples. The method is indirect and, for quantitative assessments, requires the knowledge of the dielectric tensor. On the other hand, it does not require poling of the sample, and therefore is insensitive to inaccuracies from incomplete poling, and can even be used with materials that cannot be poled, for example, due to excessive electrical conductivity. While the proposed example of the Young's modulus of a ceramic provides an orientational average of all the single crystal piezoelectric constants, a Resonant Ultrasound Spectroscopy measurement of a single unpoled ceramic sample through the ferroelectric transition can in principle measure all the piezoelectric constants, together with the elastic ones.

Improving dielectric properties of BaTiO3/poly(vinylidene fluoride) composites by employing core-shell structured BaTiO3@Poly(methylmethacrylate) and BaTiO3@Poly(trifluoroethyl methacrylate) nanoparticles

NASA Astrophysics Data System (ADS)

Zhang, Xianhong; Zhao, Sidi; Wang, Fang; Ma, Yuhong; Wang, Li; Chen, Dong; Zhao, Changwen; Yang, Wantai

2017-05-01

Polymer based dielectric composites were fabricated through incorporation of core-shell structured BaTiO3 (BT) nanoparticles into PVDF matrix by means of solution blending. Core-shell structured BT nanoparticles with different shell composition and shell thickness were prepared by grafting methacrylate monomer (MMA or TFEMA) onto the surface of BT nanoparticles via surface initiated atom transfer radical polymerization (SI-ATRP). The content of the grafted polymer and the micro-morphology of the core-shell structured BT nanoparticles were investigated by thermo gravimetric analyses (TGA) and transmission electron microscopy (TEM), respectively. The dielectric properties were measured by broadband dielectric spectroscopy. The results showed that high dielectric constant and low dielectric loss are successfully realized in the polymer based composites. Moreover, the type of the grafted polymer and its content had different effect on the dielectric constant. In detail, the attenuation of dielectric constant was 16.6% for BT@PMMA1/PVDF and 10.7% for BT@PMMA2/PVDF composite in the range of 10 Hz to 100 kHz, in which the grafted content of PMMA was 5.5% and 8.0%, respectively. However, the attenuation of dielectric constant was 5.5% for BT@PTFEMA1/PVDF and 4.0% for BT@PTFEMA2/PVDF composite, in which the grafted content of PTFEMA was 1.5% and 2.0%, respectively. These attractive features of BT@PTFEMA/PVDF composites suggested that dielectric ceramic fillers modified with fluorinated polymer can be used to prepare high performance composites, especially those with low dielectric loss and high dielectric constant.

Phase diagrams of ferroelectric nanocrystals strained by an elastic matrix

NASA Astrophysics Data System (ADS)

Nikitchenko, A. I.; Azovtsev, A. V.; Pertsev, N. A.

2018-01-01

Ferroelectric crystallites embedded into a dielectric matrix experience temperature-dependent elastic strains caused by differences in the thermal expansion of the crystallites and the matrix. Owing to the electrostriction, these lattice strains may affect polarization states of ferroelectric inclusions significantly, making them different from those of a stress-free bulk crystal. Here, using a nonlinear thermodynamic theory, we study the mechanical effect of elastic matrix on the phase states of embedded single-domain ferroelectric nanocrystals. Their equilibrium polarization states are determined by minimizing a special thermodynamic potential that describes the energetics of an ellipsoidal ferroelectric inclusion surrounded by a linear elastic medium. To demonstrate the stability ranges of such states for a given material combination, we construct a phase diagram, where the inclusion’s shape anisotropy and temperature are used as two parameters. The ‘shape-temperature’ phase diagrams are calculated numerically for PbTiO3 and BaTiO3 nanocrystals embedded into representative dielectric matrices generating tensile (silica glass) or compressive (potassium silicate glass) thermal stresses inside ferroelectric inclusions. The developed phase maps demonstrate that the joint effect of thermal stresses and matrix-induced elastic clamping of ferroelectric inclusions gives rise to several important features in the polarization behavior of PbTiO3 and BaTiO3 nanocrystals. In particular, the Curie temperature displays a nonmonotonic variation with the ellipsoid’s aspect ratio, being minimal for spherical inclusions. Furthermore, the diagrams show that the polarization orientation with respect to the ellipsoid’s symmetry axis is controlled by the shape anisotropy and the sign of thermal stresses. Under certain conditions, the mechanical inclusion-matrix interaction qualitatively alters the evolution of ferroelectric states on cooling, inducing a structural transition in PbTiO3 nanocrystals and suppressing in BaTiO3 inclusions some transformations occurring in their bulk counterpart. The constructed phase maps open the possibility to calculate dielectric properties of strained PbTiO3 and BaTiO3 nanocrystals and ferroelectric nanocomposites comprising such crystallites.

Structural imaging of nanoscale phonon transport in ferroelectrics excited by metamaterial-enhanced terahertz fields

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhu, Yi; Chen, Frank; Park, Joonkyu

Nanoscale phonon transport is a key process that governs thermal conduction in a wide range of materials and devices. Creating controlled phonon populations by resonant excitation at terahertz (THz) frequencies can drastically change the characteristics of nanoscale thermal transport and allow a direct real-space characterization of phonon mean-free paths. Using metamaterial-enhanced terahertz excitation, we tailored a phononic excitation by selectively populating low-frequency phonons within a nanoscale volume in a ferroelectric BaTiO3 thin film. Real-space time-resolved x-ray diffraction microscopy following THz excitation reveals ballistic phonon transport over a distance of hundreds of nm, two orders of magnitude longer than the averagedmore » phonon mean-free path in BaTiO3. On longer length scales, diffusive phonon transport dominates the recovery of the transient strain response, largely due to heat conduction into the substrate. The measured real-space phonon transport can be directly compared with the phonon mean-free path as predicted by molecular dynamics modeling. This time-resolved real-space visualization of THz-matter interactions opens up opportunities to engineer and image nanoscale transient structural states with new functionalities.« less

Structural imaging of nanoscale phonon transport in ferroelectrics excited by metamaterial-enhanced terahertz fields

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhu, Yi; Chen, Frank; Park, Joonkyu

Nanoscale phonon transport is a key process that governs thermal conduction in a wide range of materials and devices. Creating controlled phonon populations by resonant excitation at terahertz (THz) frequencies can drastically change the characteristics of nanoscale thermal transport and allow a direct real-space characterization of phonon mean-free paths. Using metamaterial-enhanced terahertz excitation, we tailored a phononic excitation by selectively populating low-frequency phonons within a nanoscale volume in a ferroelectric BaTiO 3 thin film. Real-space time-resolved x-ray diffraction microscopy following THz excitation reveals ballistic phonon transport over a distance of hundreds of nm, two orders of magnitude longer than themore » averaged phonon mean-free path in BaTiO 3. On longer length scales, diffusive phonon transport dominates the recovery of the transient strain response, largely due to heat conduction into the substrate. The measured real-space phonon transport can be directly compared with the phonon mean-free path as predicted by molecular dynamics modeling. In conclusion, this time-resolved real-space visualization of THz-matter interactions opens up opportunities to engineer and image nanoscale transient structural states with new functionalities.« less

Structural imaging of nanoscale phonon transport in ferroelectrics excited by metamaterial-enhanced terahertz fields

DOE PAGES

Zhu, Yi; Chen, Frank; Park, Joonkyu; ...

2017-11-16

Nanoscale phonon transport is a key process that governs thermal conduction in a wide range of materials and devices. Creating controlled phonon populations by resonant excitation at terahertz (THz) frequencies can drastically change the characteristics of nanoscale thermal transport and allow a direct real-space characterization of phonon mean-free paths. Using metamaterial-enhanced terahertz excitation, we tailored a phononic excitation by selectively populating low-frequency phonons within a nanoscale volume in a ferroelectric BaTiO 3 thin film. Real-space time-resolved x-ray diffraction microscopy following THz excitation reveals ballistic phonon transport over a distance of hundreds of nm, two orders of magnitude longer than themore » averaged phonon mean-free path in BaTiO 3. On longer length scales, diffusive phonon transport dominates the recovery of the transient strain response, largely due to heat conduction into the substrate. The measured real-space phonon transport can be directly compared with the phonon mean-free path as predicted by molecular dynamics modeling. In conclusion, this time-resolved real-space visualization of THz-matter interactions opens up opportunities to engineer and image nanoscale transient structural states with new functionalities.« less

Bond length (Ti-O) dependence of nano ATO3-based (A = Pb, Ba, Sr) perovskite structures: Optical investigation in IR range

NASA Astrophysics Data System (ADS)

Ghasemifard, Mahdi; Ghamari, Misagh; Okay, Cengiz

2018-01-01

In the current study, ABO3 (A = Pb, Ba, Sr and B = Ti) perovskite structures are produced by the auto-combustion route by using citric acid (CA) and nitric acid (NA) as fuel and oxidizer. The X-ray diffraction (XRD) patterns confirmed the perovskite nanostructure with cubic, tetragonal, and rhombohedral for SrTiO3, PbTiO3, and BaTiO3, respectively. Using Scherrer’s equation and XRD pattern, the average crystallite size of the samples were acquired. The effect of Ti-O bond length on the structure of the samples was evaluated. The type of structures obtained depends on Ti-O bond length which is in turn influenced by A2+ substitutions. Microstructural studies of nanostructures calcined at 850∘C confirmed the formation of polyhedral particles with a narrow size distribution. The values of optical band gaps were measured and the impact of A2+ was discussed. The optical properties such as the complex refractive index and dielectric function were calculated by IR spectroscopy and Kramers-Kronig (K-K) relations. Lead, as the element with the highest density as compared to other elements, changes the optical constants, remarkably due to altering titanium and oxygen distance in TO6 groups.

Preparation and study of (1 - x)CuFe2O4-xBaTiO3 (x = 0, 0.1 and 1) composite multiferroics

NASA Astrophysics Data System (ADS)

Murtaza, Tahir; Ali, Javid; Khan, M. S.

2018-07-01

The parent and mixed spinel-perovskite composite of (1 - x)CuFe2O4-xBaTiO3 (x = 0, 0.1 and 1) has been prepared by solid-state reaction method and studied by X-ray diffraction (XRD), scanning electron microscopy (SEM), Mössbauer spectroscopy, magnetometry and P-E lope tracer. The XRD results showed the formation of single phase tetragonal spinel CuFe2O4 and tetragonal perovskite BaTiO3 at room temperature, further XRD of composite 0.1CuFe2O4-0.9BaTiO3 reflects the two crystallographic phases with 1:9 ratio. The SEM micrographs show the homogeneous and uniform formation of the samples. Through EDAX analysis, the chemical composition of the sample is found to be same as the nominal composition. The high field Mossbauer data of CuFe2O4 sample shows the ferrimagnetic ordering in the sample. The observed M-H and P-E loops of the composite 0.1CuFe2O4-0.9BaTiO3 sample show the presence of spontaneous magnetization and spontaneous electric polarization indicating the multiferroic nature of the sample.

Reconciling Local Structure Disorder and the Relaxor State in (Bi1/2Na1/2)TiO3-BaTiO3

NASA Astrophysics Data System (ADS)

Groszewicz, Pedro B.; Gröting, Melanie; Breitzke, Hergen; Jo, Wook; Albe, Karsten; Buntkowsky, Gerd; Rödel, Jürgen

2016-08-01

Lead-based relaxor ferroelectrics are key functional materials indispensable for the production of multilayer ceramic capacitors and piezoelectric transducers. Currently there are strong efforts to develop novel environmentally benign lead-free relaxor materials. The structural origins of the relaxor state and the role of composition modifications in these lead-free materials are still not well understood. In the present contribution, the solid-solution (100-x)(Bi1/2Na1/2)TiO3-xBaTiO3 (BNT-xBT), a prototypic lead-free relaxor is studied by the combination of solid-state nuclear magnetic resonance (NMR) spectroscopy, dielectric measurements and ab-initio density functional theory (DFT). For the first time it is shown that the peculiar composition dependence of the EFG distribution width (ΔQISwidth) correlates strongly to the dispersion in dielectric permittivity, a fingerprint of the relaxor state. Significant disorder is found in the local structure of BNT-xBT, as indicated by the analysis of the electric field gradient (EFG) in 23Na 3QMAS NMR spectra. Aided by DFT calculations, this disorder is attributed to a continuous unimodal distribution of octahedral tilting. These results contrast strongly to the previously proposed coexistence of two octahedral tilt systems in BNT-xBT. Based on these results, we propose that considerable octahedral tilt disorder may be a general feature of these oxides and essential for their relaxor properties.

Magnetoelectric coupling in multiferroic BaTiO3-CoFe2O4 composite nanofibers via electrospinning

NASA Astrophysics Data System (ADS)

Fu, Bi; Lu, Ruie; Gao, Kun; Yang, Yaodong; Wang, Yaping

2015-07-01

Magnetoelectric (ME) coupling in Pb-based multiferroic composites has been widely investigated due to the excellent piezoelectric property of lead zirconate titanate (PZT). In this letter, we report a strategy to create a hybrid Pb-free ferroelectric and ferromagnetic material and detect its ME coupling at the nanoscale. Hybrid Pb-free multiferroic BaTiO3-CoFe2O4 (BTO-CFO) composite nanofibers (NFs) were generated by sol-gel electrospinning. The perovskite structure of BTO and the spinel structure of CFO nanograins were homogenously distributed in the composite NFs and verified by bright-field transmission electron microscopy observations along the perovskite [111] zone axis. Multiferroicity was confirmed by amplitude-voltage butterfly curves and magnetic hysteresis loops. ME coupling was observed in terms of a singularity on a dM/dT curve at the ferroelectric Curie temperature (TC) of BaTiO3. The lateral ME coefficient was investigated by the evolution of the piezoresponse under an external magnetic field of 1000 Oe and was estimated to be α31 =0.78× 104 \\text{mV cm}-1 \\text{Oe}-1 . These findings could enable the creation of nanoscale Pb-free multiferroic composite devices.

Structural and Optical properties of poly-crystalline BaTiO3 and SrTiO3 prepared via solid state route

NASA Astrophysics Data System (ADS)

Jarabana, Kanaka M.; Mishra, Ashutosh; Bisen, Supriya

2016-10-01

Polycrystalline BaTiO3 (BTO) and SrTiO3 (STO) were synthesized by solid state route method and properties of made polycrystalline were characterized by X-Ray diffraction (XRD), Raman Spectroscopy & FTIR Spectroscopy. XRD analysis shows that samples are crystalline in nature. In Raman Spectroscopy measurement, the experiment has been done with the help of JOBIN-YOVN HORIBA LABRAM HR800 single monochromator, which is coupled with a “peltier cooled” charge coupled device (CCD). Raman Spectroscopy at low temperature measurement shows the phase transition above & below the curie temperature in samples. Fourier transform Infrared spectroscopy was used to determine the Ti-O bond length position.

Morphology-preserving chemical conversion of bioorganic and inorganic templates

NASA Astrophysics Data System (ADS)

Vernon, Jonathan Paul

The generation of nanostructured assemblies with complex (three-dimensional, 3D) self-assembled morphologies and with complex (multicomponent) tailorable inorganic compositions is of considerable technological and scientific interest. This dissertation demonstrates self-assembled 3D organic templates of biogenic origin can be converted into replicas comprised of numerous other functional nanocrystalline inorganic materials. Nature provides a spectacular variety of biologically-assembled 3D organic structures with intricate, hierarchical (macro-to-micro-to-nanoscale) morphologies. Such processing on readily-available structurally complex templates provides a framework for chemical conversion of synthetic organic templates and, potentially, production of organic/inorganic composites. Four specific research thrusts are detailed in this document. First, chemical conversion of a nanostructured bioorganic template into a multicomponent oxide compound (tetragonal BaTiO3) via SSG coating and subsequent morphology-preserving microwave hydrothermal processing is demonstrated. Second, morphology-preserving chemical conversion of bioorganic templates into hierarchical photoluminescent microparticles is demonstrated to reveal both the dramatic change in properties such processing can provide, and the potential utility of chemically transformed templates in anti-counterfeiting / authentication applications. Third, determination of the reaction mechanism(s) for morphology-preserving microwave hydrothermal conversion of TiO2 to BaTiO3, through Au inert markers on single crystal rutile titania, is detailed. Finally, utilization of constructive coating techniques (SSG) and moderate temperature (< 500°C) heat treatments to modify and replicate structural color is coupled with deconstructive focused ion beam microsurgery to prepare samples for microscale structure interrogation. Specifically, the effects of coating thickness and composition on reflection spectra of structurally colored templates are examined. Also, the effects of the replacement of natural material with higher index of refraction inorganic materials on optical properties are discussed. The three processing research thrusts constituting chapters 1, 2 and 4 take advantage of moderate temperature processing to ensure nanocrystalline materials, either for shape preservation or to prevent scattering in optical applications. The research thrust detailed in chapter 3 examines hydrothermal conversion of TiO2 to BaTiO3, not only to identify the reaction mechanism(s) involved in hydrothermal conversion under morphology-preserving conditions, but also to introduce inert marker experiments to the field of microwave hydrothermal processing.

Elastic excitations in BaTiO3 single crystals and ceramics: Mobile domain boundaries and polar nanoregions observed by resonant ultrasonic spectroscopy

NASA Astrophysics Data System (ADS)

Salje, Ekhard K. H.; Carpenter, Michael A.; Nataf, Guillaume F.; Picht, Gunnar; Webber, Kyle; Weerasinghe, Jeevaka; Lisenkov, S.; Bellaiche, L.

2013-01-01

The dynamic properties of elastic domain walls in BaTiO3 were investigated using resonance ultrasonic spectroscopy (RUS). The sequence of phase transitions is characterized by minima in the temperature dependence of RUS resonance frequencies and changes in Q factors (resonance damping). Damping is related to the friction of mobile twin boundaries (90° ferroelectric walls) and distorted polar nanoregions (PNRs) in the cubic phase. Damping is largest in the tetragonal phase of ceramic materials but very low in single crystals. Damping is also small in the low-temperature phases of the ceramic sample and slightly increases with decreasing temperature in the single crystal. The phase angle between the real and imaginary part of the dynamic response function changes drastically in the cubic and tetragonal phases and remains constant in the orthorhombic phase. Other phases show a moderate dependence of the phase angle on temperature showing systematic changes of twin microstructures. Mobile twin boundaries (or sections of twin boundaries such as kinks inside twin walls) contribute strongly to the energy dissipation of the forced oscillation while the reduction in effective modulus due to relaxing twin domains is weak. Single crystals and ceramics show strong precursor softening in the cubic phase related to polar nanoregions (PNRs). The effective modulus decreases when the transition point of the cubic-tetragonal transformation is approached from above. The precursor softening follows temperature dependence very similar to recent results from Brillouin scattering. Between the Burns temperature (≈586 K) and Tc at 405 K, we found a good fit of the squared RUS frequency [˜Δ (C11-C12)] to a Vogel-Fulcher process with an activation energy of ˜0.2 eV. Finally, some first-principles-based effective Hamiltonian computations were carried out in BaTiO3 single domains to explain some of these observations in terms of the dynamics of the soft mode and central mode.

Enhanced energy density and thermostability in polyimide nanocomposites containing core-shell structured BaTiO3@SiO2 nanofibers

NASA Astrophysics Data System (ADS)

Wang, Junchuan; Long, Yunchen; Sun, Ying; Zhang, Xueqin; Yang, Hong; Lin, Baoping

2017-12-01

High energy density polymer nanocomposites with high-temperature resistance are quite desirable for film capacitors and many other power electronics. In this study, polyimide-based (PI) nanocomposite films containing the core-shell structured barium titanate@silicon dioxide (BT@SiO2) nanofibers have been successfully synthesized by the solution casting method. In the BT@SiO2/PI nanocomposite films, the dielectric permittivity as well as the breakdown strength increase significantly. The SiO2 shell layers with moderate dielectric permittivity could effectively mitigate the local field concentration induced by the large mismatch between the dielectric permittivity of BT and PI, which contributes to the enhancement of the breakdown strength of the PI nanocomposite films. As a result, the PI nanocomposite film filled with 3 vol% BT@SiO2 nanofibers exhibits a maximal energy density of 2.31 J cm-3 under the field of 346 kV/mm, which is 62% over the pristine PI (1.42 J cm-3 at 308 kV/mm) and about 200% greater than the best commercial polymer, i.e. biaxially oriented polypropylenes (BOPP) (≈1.2 J cm-3). The thermogravimetric analysis results indicate that the BT@SiO2/PI nanocomposite films have good thermal stability below 500 °C.

Local geometric and electronic structures and origin of magnetism in Co-doped BaTiO3 multiferroics

NASA Astrophysics Data System (ADS)

Phan, The-Long; Thang, P. D.; Ho, T. A.; Manh, T. V.; Thanh, Tran Dang; Lam, V. D.; Dang, N. T.; Yu, S. C.

2015-05-01

We have prepared polycrystalline samples BaTi1-xCoxO3 (x = 0-0.1) by solid-state reaction. X-ray diffraction and Raman-scattering studies reveal the phase separation in crystal structure as changing Co-doping content (x). The samples with x = 0-0.01 are single phase in a tetragonal structure. At higher doping contents (x > 0.01), there is the formation and development of a secondary hexagonal phase. Magnetization measurements at room temperature indicate a coexistence of paramagnetic and weak-ferromagnetic behaviors in BaTi1-xCoxO3 samples with x > 0, while pure BaTiO3 is diamagnetic. Both these properties increase with increasing x. Analyses of X-ray absorption spectra recorded from BaTi1-xCoxO3 for the Co and Ti K-edges indicate the presence of Co2+ and Co3+ ions. They locate in the Ti4+ site of the tetragonal and hexagonal BaTiO3 structures. Particularly, there is a shift of oxidation state from Co2+ to Co3+ when Co-doping content increases. We believe that the paramagnetic nature in BaTi1-xCoxO3 samples is due to isolated Co2+ and Co3+ centers. The addition of Co3+ ions enhances the paramagnetic behavior. Meanwhile, the origin of ferromagnetism is due to lattice defects, which is less influenced by the changes caused by the variation in concentration of Co2+ and Co3+ ions.

Memristive behavior in BaTiO 3 thin films integrated with semiconductors

NASA Astrophysics Data System (ADS)

Singamaneni, Srinivasa Rao; Prater, John; Narayan, Jay

BaTiO3 has been studied for emerging non-volatile memory applications. However, most of the previous work has focused on this material when it was deposited on insulting oxide substrates such as SrTiO3. Unfortunately, this substrate is not suitable for CMOS-based microelectronics applications. This motivated us to carry out the present work. We have studied the resistive switching behavior in BaTiO3/La0.7Sr0.3MnO3 (BTO/LSMO) heterostructures integrated with Si (100) using pulsed laser deposition1,2. I-V measurements were conducted on BTO (500nm)/LSMO (25nm) devices at 200K, with the compliance current of 10mA. Here, Pt was used as a top electrode and LSMO served as bottom electrode. A few important observations are noted: (a) broad hysteresis in forward and reverse voltage sweeps -ideal for memory applications, (b) the ratio of high resistance to low resistance state is ~600 -important for switching devices, (c) the device is stable at least up to 50 cycles. However, we found that hysteretic behavior was collapsed after 36 cycles upon oxygen annealing of the device at 1 atmospheric pressure, 200o C for 1 hour, inferring the important role of oxygen vacancies in the resistive switching behavior of BTO/LSMO device. The comprehensive experimental data will be presented and discussed.1,2.

A General Reliability Model for Ni-BaTiO3-Based Multilayer Ceramic Capacitors

NASA Technical Reports Server (NTRS)

Liu, Donhang

2014-01-01

The evaluation of multilayer ceramic capacitors (MLCCs) with Ni electrode and BaTiO3 dielectric material for potential space project applications requires an in-depth understanding of their reliability. A general reliability model for Ni-BaTiO3 MLCC is developed and discussed. The model consists of three parts: a statistical distribution; an acceleration function that describes how a capacitor's reliability life responds to the external stresses, and an empirical function that defines contribution of the structural and constructional characteristics of a multilayer capacitor device, such as the number of dielectric layers N, dielectric thickness d, average grain size, and capacitor chip size A. Application examples are also discussed based on the proposed reliability model for Ni-BaTiO3 MLCCs.

A General Reliability Model for Ni-BaTiO3-Based Multilayer Ceramic Capacitors

NASA Technical Reports Server (NTRS)

Liu, Donhang

2014-01-01

The evaluation for potential space project applications of multilayer ceramic capacitors (MLCCs) with Ni electrode and BaTiO3 dielectric material requires an in-depth understanding of the MLCCs reliability. A general reliability model for Ni-BaTiO3 MLCCs is developed and discussed in this paper. The model consists of three parts: a statistical distribution; an acceleration function that describes how a capacitors reliability life responds to external stresses; and an empirical function that defines the contribution of the structural and constructional characteristics of a multilayer capacitor device, such as the number of dielectric layers N, dielectric thickness d, average grain size r, and capacitor chip size A. Application examples are also discussed based on the proposed reliability model for Ni-BaTiO3 MLCCs.

Hydroxyl defects and conversion thermodynamics and kinetics of hydrothermal barium titanate

NASA Astrophysics Data System (ADS)

Atakan, Vahit

The main objectives of this study are to investigate the possibility of hydrothermal conversion of carboxylate based solid-state precursors to BaTiO3 and to characterize residual H or commonly referred as hydroxyls, which are common defects in hydrothermally synthesized ceramic oxides. Neutron scattering techniques, prompt gamma activation analysis (PGAA) and neutron powder diffraction (NPD) were selected as the main tools for characterization of residual H due to high interaction capability of neutrons with H. Residual H was classified as surface and lattice H. Total H content was measured by PGAA and surface H was measured by Karl Fischer Titration (KFT). NPD was used for estimating lattice H. It was found that 75% of the residual H was in the lattice. Even though more than half of the residual H was removed at low temperatures like 200°C, it was tough to remove H completely even at 1200°C. Residual H caused expansion in the unit cell and presence of lattice H was compensated by Ti vacancies. Yield diagrams were generated depending on a thermodynamic model to theoretically verify that hydrothermal conversion of carboxylate based solid-state precursors to BaTiO3 is possible. Theoretical results were then verified experimentally. It was found that BaC2O 4 and TiO2, and BaTiO(C2O4)2 can be successfully converted to BaTiO3 under hydrothermal conditions. However, BaCO3 and TiO2 precursors were not fully converted. Among barium oxalate and titania, and barium titanly oxalate (BTO) systems, conversion of BTO was more favorable in terms of reaction temperature and KOH concentration. BTO can be hydrothermally converted to BaTiO3 at temperatures as low as room temperature. Further studies on hydrothermal conversion of BTO showed that, reaction time can be reduced from 12 h to less than 5 seconds under atmospheric pressure at ˜103°C.

High temperature ferroic phase transitions and evidence of paraelectric cubic phase in the multiferroic 0.8BiFeO3-0.2BaTiO3

NASA Astrophysics Data System (ADS)

Singh, Anar; Patel, Jay Prakash; Pandey, Dhananjai

2009-10-01

We present here results of a powder x-ray diffraction study on the multiferroic 0.8BiFeO3-0.2BaTiO3 in the temperature range of 300-925 K. Our results provide unambiguous evidence for paraelectric cubic phase. We do not find any evidence for intermediate β-phase in our studies. The rhombohedral to cubic phase transition is shown to be of first order as revealed by the coexistence of cubic and rhombohedral phases over 100 K range and a discontinuous change in the unit cell volume. An anomaly in the unit cell volume at the magnetic transition temperature indicative of the magnetoelastic coupling is also reported.

Epitaxial growth of (111)-oriented BaTiO3/SrTiO3 perovskite superlattices on Pt(111)/Ti/Al2O3(0001) substrates

NASA Astrophysics Data System (ADS)

Panomsuwan, Gasidit; Takai, Osamu; Saito, Nagahiro

2013-09-01

Symmetric BaTiO3/SrTiO3 (BTO/STO) superlattices (SLs) were epitaxially grown on Pt(111)/Ti/Al2O3(0001) substrates with various modulation periods (Λ = 4.8 - 48 nm) using double ion beam sputter deposition. The BTO/STO SLs exhibit high (111) orientation with two in-plane orientation variants related by a 180° rotation along the [111]Pt axis. The BTO layer is under an in-plane compressive state, whereas the STO layer is under an in-plane tensile state due to the effect of lattice mismatch. A remarkable enhancement of dielectric constant is observed for the SL with relatively small modulation period, which is attributed to both the interlayer biaxial strain effect and the Maxwell-Wagner effect.

Atmospheric Pressure Non-Thermal Plasma Activation of CO2 in a Packed-Bed Dielectric Barrier Discharge Reactor.

PubMed

Mei, Danhua; Tu, Xin

2017-11-17

Direct conversion of CO 2 into CO and O 2 is performed in a packed-bed dielectric barrier discharge (DBD) non-thermal plasma reactor at low temperatures and atmospheric pressure. The maximum CO 2 conversion of 22.6 % is achieved when BaTiO 3 pellets are fully packed into the discharge gap. The introduction of γ-Al 2 O 3 or 10 wt % Ni/γ-Al 2 O 3 catalyst into the BaTiO 3 packed DBD reactor increases both CO 2 conversion and energy efficiency of the plasma process. Packing γ-Al 2 O 3 or 10 wt % Ni/γ-Al 2 O 3 upstream of the BaTiO 3 bed shows higher CO 2 conversion and energy efficiency compared with that of mid- or downstream packing modes because the reverse reaction of CO 2 conversion-the recombination of CO and O to form CO 2 -is more likely to occur in mid- and downstream modes. Compared with the γ-Al 2 O 3 support, the coupling of the DBD with the Ni catalyst shows a higher CO 2 conversion, which can be attributed to the presence of Ni active species on the catalyst surface. The argon plasma treatment of the reacted Ni catalyst provides extra evidence to confirm the role of Ni active species in the conversion of CO 2 . © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Substitution behavior of x(Na0.5K0.5)NbO3-(1 - x)BaTiO3 ceramics for multilayer ceramic capacitors by a near edge x-ray absorption fine structure analysis

NASA Astrophysics Data System (ADS)

Ha, Jooyeon; Ryu, Jiseung; Lee, Heesoo

2014-06-01

The doping effect of (Na0.5K0.5)NbO3 (NKN) as alternatives for rare-earth elements on the electrical properties of BaTiO3 has been investigated, in terms of their substitution behavior. The dielectric constant of a specimen with x = 0.05 was about 79% higher than that of pure BaTiO3, and the temperature coefficient of capacitance was satisfied by the X7R specification. The specimen with x = 0.05 showed the lowest tetragonality among the four compositions and had a fine grain size of <2 μm. Although the addition of NKN decreased the specimen's tetragonality, the electrical properties were enhanced by the formation of defect dipoles and conduction electrons, which resulted from an acceptor and donor substitution behavior. Through O K-edge near edge x-ray absorption fine structure spectroscopy, the practical substitution behavior was defined by the change in Ti 3d orbital states. The energy separation of the Ti 3d orbitals was more apparent with the specimen of x = 0.05, which is related to the donor level from the donor substitution of Nb5+ ion for Ti-sites. Therefore, the simultaneous substitution of Na+/K+ and Nb5+ ions into BaTiO3 can improve dielectric properties, based on the charge-transfer process.

Role of initial heat treatment of the ferrite component on magnetic properties in the composite of ferrimagnetic Co1.75Fe1.25O4 ferrite and non-magnetic BaTiO3 oxide

NASA Astrophysics Data System (ADS)

Bhowmik, R. N.; Kazhugasalamoorthy, S.; Sinha, A. K.

2017-12-01

We have prepared a composite of ferrimagnetic ferrite Co1.75Fe1.25O4 and non-magnetic oxide BaTiO3. The ferrite composition Co1.75Fe1.25O4 has been prepared by chemical co-precipitation and subsequently heated at different temperatures. The heat treated ferrite powder has been mixed with BaTiO3 powder with mass ratio 1:1 and the mixed powder has been finally heated at 1000 °C to form composite material. Structural phase of the composite material has been confirmed by high quality Synchrotron X-ray diffraction pattern and Micro-Raman spectra. The grain surface morphology and elemental composition have been studied by Scanning electron microscope and Energy dispersive X-ray analysis. The distribution of magnetic exchange interactions and blocking behavior of the ferrimagnetic grains in composite samples has been understood by analyzing the temperature and magnetic field dependence of dc magnetization. Finally, information on modified micro-structure and ferrimagnetic parameters in composite samples has been obtained as the variation of annealing temperature of the ferrite component before making composite.

Solid State Ultracapacitor

NASA Technical Reports Server (NTRS)

Hill, Curtis W. (Inventor); Rolin, Terry D. (Inventor)

2018-01-01

An ink of the formula: 60-80% by weight BaTiO3 particles coated with SiO2; 5-50% by weight high dielectric constant glass; 0.1-5% by weight surfactant; 5-25% by weight solvent; and 5-25% weight organic vehicle. Also a method of manufacturing a capacitor comprising the steps of: heating particles of BaTiO3 for a special heating cycle, under a mixture of 70-96% by volume N2 and 4-30% by volume H2 gas; depositing a film of SiO2 over the particles; mechanically separating the particles; incorporating them into the above described ink formulation; depositing the ink on a substrate; and heating at 850-900 C for less than 5 minutes and allowing the ink and substrate to cool to ambient in N2 atmosphere. Also a dielectric made by: heating particles of BaTiO3 for a special heating cycle, under a mixture of 70-96% by volume N2 and 4-30% by volume H2 gas; depositing a film of SiO2 over the particles; mechanically separating the particles; forming them into a layer; and heating at 850-900 C for less than 5 minutes and allowing the layer to cool to ambient in N2 atmosphere.

Structural, dielectric and magnetic studies of (x) Ni0.7Co0.1Cu0.2Fe2O4 + (1-x) BaTiO3 magnetoelectric composites

NASA Astrophysics Data System (ADS)

Khader, S. Abdul; Parveez, Asiya; Giridharan, N. V.; Sankarappa, T.

2016-05-01

The Magneto-electric composites (x) Ni0.7Co0.1Cu0.2Fe2O4 + (1-x) BaTiO3 (x=10%, 20% and 30%) were synthesized by sintering mixtures of highly ferroelectric BaTiO3 (BT) and highly magneto-strictive component Ni0.7Co0.1Cu0.2Fe2O4 (NCCF). The presences of constituent phases in magneto-electric composites were probed by X-ray diffraction (XRD) studies. The peaks observed in the XRD spectrum indicated spinel cubic structure for NCCF ferrite phase and tetragonal perovskite structure for BT and, both spinel and pervoskite structures for synthesized ME composites. Surface morphology of the samples has been investigated using Field Emission Scanning Electron Microscope (FESEM). Frequency and composition dependent dielectric properties of synthesized composites were measured from 100 Hz to 1 MHz at room temperature using Hioki LCR Hi-TESTER. The dielectric dispersion is observed at lower frequencies for the synthesized ME composites. The hysteresis behavior was studied to understand the magnetic ordering in the synthesized composites using a Vibrating Sample Magnetometer (VSM). It is observed that the values of saturation magnetization increases along with the ferrite content.

Microstructure and ferroelectricity of BaTiO3 thin films on Si for integrated photonics

NASA Astrophysics Data System (ADS)

Kormondy, Kristy J.; Popoff, Youri; Sousa, Marilyne; Eltes, Felix; Caimi, Daniele; Rossell, Marta D.; Fiebig, Manfred; Hoffmann, Patrik; Marchiori, Chiara; Reinke, Michael; Trassin, Morgan; Demkov, Alexander A.; Fompeyrine, Jean; Abe, Stefan

2017-02-01

Significant progress has been made in integrating novel materials into silicon photonic structures in order to extend the functionality of photonic circuits. One of these promising optical materials is BaTiO3 or barium titanate (BTO) that exhibits a very large Pockels coefficient as required for high-speed light modulators. However, all previous demonstrations show a noticable reduction of the Pockels effect in BTO thin films deposited on silicon substrates compared to BTO bulk crystals. Here, we report on the strong dependence of the Pockels effect in BTO thin films on their microstructure, and provide guidelines on how to engineer thin films with strong electro-optic response. We employ several deposition methods such as molecular beam epitaxy and chemical vapor deposition to realize BTO thin films with different morphology and crystalline structure. While a linear electro-optic response is present even in porous, polycrystalline BTO thin films with an effective Pockels coefficient r eff = 6 pm V-1, it is maximized for dense, tetragonal, epitaxial BTO films (r eff = 140 pm V-1). By identifying the key structural predictors of electro-optic response in BTO/Si, we provide a roadmap to fully exploit the linear electro-optic effect in novel hybrid oxide/semiconductor nanophotonic devices.

Three-dimensional imaging of vortex structure in a ferroelectric nanoparticle driven by an electric field.

PubMed

Karpov, D; Liu, Z; Rolo, T Dos Santos; Harder, R; Balachandran, P V; Xue, D; Lookman, T; Fohtung, E

2017-08-17

Topological defects of spontaneous polarization are extensively studied as templates for unique physical phenomena and in the design of reconfigurable electronic devices. Experimental investigations of the complex topologies of polarization have been limited to surface phenomena, which has restricted the probing of the dynamic volumetric domain morphology in operando. Here, we utilize Bragg coherent diffractive imaging of a single BaTiO 3 nanoparticle in a composite polymer/ferroelectric capacitor to study the behavior of a three-dimensional vortex formed due to competing interactions involving ferroelectric domains. Our investigation of the structural phase transitions under the influence of an external electric field shows a mobile vortex core exhibiting a reversible hysteretic transformation path. We also study the toroidal moment of the vortex under the action of the field. Our results open avenues for the study of the structure and evolution of polar vortices and other topological structures in operando in functional materials under cross field configurations.Imaging of topological states of matter such as vortex configurations has generally been limited to 2D surface effects. Here Karpov et al. study the volumetric structure and dynamics of a vortex core mediated by electric-field induced structural phase transition in a ferroelectric BaTiO 3 nanoparticle.

Ferroelectric nanoparticle-embedded sponge structure triboelectric generators

NASA Astrophysics Data System (ADS)

Park, Daehoon; Shin, Sung-Ho; Yoon, Ick-Jae; Nah, Junghyo

2018-05-01

We report high-performance triboelectric nanogenerators (TENGs) employing ferroelectric nanoparticles (NPs) embedded in a sponge structure. The ferroelectric BaTiO3 NPs inside the sponge structure play an important role in increasing surface charge density by polarized spontaneous dipoles, enabling the packaging of TENGs even with a minimal separation gap. Since the friction surfaces are encapsulated in the packaged device structure, it suffers negligible performance degradation even at a high relative humidity of 80%. The TENGs also demonstrated excellent mechanical durability due to the elasticity and flexibility of the sponge structure. Consequently, the TENGs can reliably harvest energy even under harsh conditions. The approach introduced here is a simple, effective, and reliable way to fabricate compact and packaged TENGs for potential applications in wearable energy-harvesting devices.

Property measurements and solidification studies by electrostatic levitation.

PubMed

Paradis, Paul-François; Yu, Jianding; Ishikawa, Takehiko; Yoda, Shinichi

2004-11-01

The National Space Development Agency of Japan has recently developed several electrostatic levitation furnaces and implemented new techniques and procedures for property measurement, solidification studies, and atomic structure research. In addition to the contamination-free environment for undercooled and liquid metals and semiconductors, the newly developed facilities possess the unique capabilities of handling ceramics and high vapor pressure materials, reducing processing time, and imaging high luminosity samples. These are exemplified in this paper with the successful processing of BaTiO(3). This allowed measurement of the density of high temperature solid, liquid, and undercooled phases. Furthermore, the material resulting from containerless solidification consisted of micrometer-size particles and a glass-like phase exhibiting a giant dielectric constant exceeding 100,000.

Ferroelectric nanoparticle-embedded sponge structure triboelectric generators.

PubMed

Park, Daehoon; Shin, Sung-Ho; Yoon, Ick-Jae; Nah, Junghyo

2018-05-04

We report high-performance triboelectric nanogenerators (TENGs) employing ferroelectric nanoparticles (NPs) embedded in a sponge structure. The ferroelectric BaTiO 3 NPs inside the sponge structure play an important role in increasing surface charge density by polarized spontaneous dipoles, enabling the packaging of TENGs even with a minimal separation gap. Since the friction surfaces are encapsulated in the packaged device structure, it suffers negligible performance degradation even at a high relative humidity of 80%. The TENGs also demonstrated excellent mechanical durability due to the elasticity and flexibility of the sponge structure. Consequently, the TENGs can reliably harvest energy even under harsh conditions. The approach introduced here is a simple, effective, and reliable way to fabricate compact and packaged TENGs for potential applications in wearable energy-harvesting devices.

Stress induced magnetic-domain evolution in magnetoelectric composites

NASA Astrophysics Data System (ADS)

Trivedi, Harsh; Shvartsman, Vladimir V.; Lupascu, Doru C.; Medeiros, Marco S. A.; Pullar, Robert C.

2018-06-01

Local observation of the stress mediated magnetoelectric (ME) effect in composites has gained a great deal of interest over the last decades. However, there is an apparent lack of rigorous methods for a quantitative characterization of the ME effect at the local scale, especially in polycrystalline microstructures. In the present work, we address this issue by locally probing the surface magnetic state of barium titante–hexagonal barium ferrite (BaTiO3–BaFe12O19) ceramic composites using magnetic force microscopy (MFM). The effect of the piezoelectrically induced local stress on the magnetostrictive component (BaFe12O19, BaM) was observed in the form of the evolution of the magnetic domains. The local piezoelectric stress was induced by applying a voltage to the neighboring BaTiO3 grains, using a conductive atomic force microscopy tip. The resulting stochastic evolution of magnetic domains was studied in the context of the induced magnetoelastic anisotropy. In order to overcome the ambiguity in the domain changes observed by MFM, certain generalizations about the observed MFM contrast are put forward, followed by application of an algorithm for extracting the average micromagnetic changes. An average change in domain wall thickness of 50 nm was extracted, giving a lower limit on the corresponding induced magnetoelastic anisotropy energy. Furthermore, we demonstrate that this induced magnetomechanical energy is approximately equal to the K1 magnetocrystalline anisotropy constant of BaM, and compare it with a modeled value of applied elastic energy density. The comparison allowed us to judge the quality of the interfaces in the composite system, by roughly gauging the energy conversion ratio.

Study of the photovoltaic effect in thin film barium titanate

NASA Technical Reports Server (NTRS)

Grannemann, W. W.; Dharmadhikari, V. S.

1982-01-01

Ferroelectric films of barium titanate were synthesized on silicon and quartz substrates, and the photoelectric effect in the structure consisting of metal deposited ferroelectric barium titanate film silicon was studied. A photovoltage with polarity that depends on the direction of the remanent polarization was observed. The deposition of BaTiO3 on silicon and fused quartz substrates was accomplished by an rf sputtering technique. A series of experiments to study the growth of ferroelectric BaTiO3 films on single crystal silicon and fused quartz substrates were conducted. The ferroelectric character in these films was found on the basis of evidence from the polarization electric field hysteresis loops, capacitance voltage and capacitance temperature techniques and from X-ray diffraction studies.

Preparation, characterization and gas sensing performance of BaTiO3 nanostructured thin films

NASA Astrophysics Data System (ADS)

Suryawanshi, Dinesh N.; Pathan, Idris G.; Bari, Anil. R.; Patil, Lalchand A.

2018-05-01

Spray pyrolysis techniques was employed to prepare BaTiO3 thin films. AR grade solutions of Barium chloride (0.05 M) and Titanium chloride (0.05 M) were mixed in the proportion of 30:70, 50:50 and 70:30. The solutions were sprayed on quartz substrate heated at 350°C temperature to obtain the films. These thin films were annealed for a two hours at 600°C in air medium respectively. The prepared thin films were characterized using XRD, FESEM, EDAX, TEM. The electrical and gas sensing properties of these films were investigated. 50:50 film showed better response to Liquid Petroleum Gas (LPG) as compare 30:70 and 70:30 films.

Comparison of Quantum and Classical Monte Carlo on a Simple Model Phase Transition

NASA Astrophysics Data System (ADS)

Cohen, D. E.; Cohen, R. E.

2005-12-01

Most simulations of phase transitions in minerals use classical molecular dynamics or classical Monte Carlo. However, it is known that in some cases, quantum effects are quite large, even for perovskite oxides [1]. We have studied the simplest model of a phase transition where this can be tested, that of interacting of double wells with an infinite- range interaction. The energy is E = ∑i (-A xi2 + B xi4 + ξ xi) . We used the same parameters used in a study of vibrational spectra and soft- mode behavior [4], A=0.01902, B=0.14294, ξ=0.025 in Hartree atomic units. This gives Tc of about 400 K. We varied the oscillator mass from 18 to 100. Classical Monte Carlo and path integral Monte Carlo (PIMC) were performed on this model. The maximum effect was for the lightest mass, in which PIMC gave a 75K lower Tc than the classical simulation. This is similar to the reduction in Tc observed in PIMC simulations for BaTiO3 at zero pressure [1]. We will explore the effects of varying the well depths. Shallower wells would show a greater quantum effect, as was seen in the high pressure BaTiO3 simulations, since pressure reduces the double well depths [5]. [1] Iniguez, J. & Vanderbilt, D. First-principles study of the temperature-pressure phase diagram of BaTiO3. Phys. Rev. Lett. 89, 115503 (2002). [2] Gillis, N. S. & Koehler, T. R. Phase transitions in a simple model ferroelectric-- -comparison of exact and variational treatments of a molecular-field Hamiltonian. Phys. Rev. B 9, 3806 (1974). [3] Koehler, T. R. & Gillis, N. S. Phase Transitions in a Model of Interacting Anharmonic Oscillators. Phys. Rev. B 7, 4980 (1973). [4] Flocken, J. W., Guenther, R. A., Hardy, J. R. & Boyer, L. L. Dielectric response spectrum of a damped one-dimensional double-well oscillator. Phys. Rev. B 40, 11496-11501 (1989). [5] Cohen, R. E. Origin of ferroelectricity in oxide ferroelectrics and the difference in ferroelectric behavior of BaTiO3 and PbTiO3. Nature 358, 136-138 (1992).

Effects of La-doped BaSnO3epitaxial electrode on the ferroelectric properties of BaTiO3

NASA Astrophysics Data System (ADS)

Lee, Hahoon; Kim, Young Mo; Kim, Youjung; Shin, Juyeon; Char, Kookrin

In order to integrate the newly discovered high-mobility perovskite semiconductor BaSnO3 with a ferroelectric perovskite, we have grown epitaxial ferroelectric BaTiO3 (BTO) on top of the 4 % La-doped BaSnO3 (BLSO). X-ray diffraction measurement suggests that the BTO film on top of BLSO electrode is tensilely strained due to the larger lattice constant of BLSO. An all epitaxial sandwich structure of BLSO/BTO/BLSO was fabricated in order to measure the ferroelectric properties of the BTO under tensile strain. The polarization-electric field (P-E) hysteresis curve will be discussed from the viewpoint of the tensile strain. In addition, the breakdown field will be measured to evaluate the potential of BTO for a gate oxide on top of BLSO. Samsung science and technology foundation.

Large Energy Density, Excellent Thermal Stability, and High Cycling Endurance of Lead-Free BaZr0.2Ti0.8O3 Film Capacitors.

PubMed

Sun, Zixiong; Ma, Chunrui; Wang, Xi; Liu, Ming; Lu, Lu; Wu, Ming; Lou, Xiaojie; Wang, Hong; Jia, Chun-Lin

2017-05-24

A large energy storage density (ESD) of 30.4 J/cm 3 and high energy efficiency of 81.7% under an electrical field of 3 MV/cm was achieved at room temperature by the fabrication of environmentally friendly lead-free BaZr 0.2 Ti 0.8 O 3 epitaxial thin films on Nb-doped SrTiO 3 (001) substrates by using a radio-frequency magnetron sputtering system. Moreover, the BZT film capacitors exhibit great thermal stability of the ESD from 16.8 J/cm 3 to 14.0 J/cm 3 with efficiency of beyond 67.4% and high fatigue endurance (up to 10 6 cycles) in a wide temperature range from room temperature to 125 °C. Compared to other BaTiO 3 -based energy storage capacitor materials and even Pb-based systems, BaZr 0.2 Ti 0.8 O 3 thin film capacitors show either high ESD or great energy efficiency. All of these excellent results revealed that the BaZr 0.2 Ti 0.8 O 3 film capacitors have huge potential in the application of modern electronics, such as locomotive and pulse power, in harsh working environments.

High calcination of ferroelectric BaTiO3 doped Fe nanoceramics prepared by a solid-state sintering method

NASA Astrophysics Data System (ADS)

Samuvel, K.; Ramachandran, K.

2015-07-01

This study examined the effects of the combination of starting materials on the properties of solid-state reacted BaTiO3 using two different types of BaCO3 and TiO2. In addition, the effect of mechanochemical activation by high energy milling and the Ba/Ti molar ratio on the reaction temperature, particle size and tetragonality were investigated. The TiO2 phase and size plays a major role in increasing the reaction temperature and particle size. With the optimum selection of starting materials and processing conditions, BaTiO3 with a particle size <200 nm (Scherrer's formula) and a tetragonality c/a of approximately 1.007 was obtained. Broadband dielectric spectroscopy is applied to investigate the electrical properties of disordered perovskite-like ceramics in a wide temperature range. From the X-ray diffraction analysis it was found that the newly obtained BaTi0.5Fe0.5O3 ceramics consist of two chemically different phases. The electric modulus M∗ formalism used in the analysis enabled us to distinguish and separate the relaxation processes, dominated by marked conductivity in the ε∗(ω) representation. Interfacial effects on the dielectric properties of the samples have been understood by Cole-Cole plots in complex impedance and modulus formalism. Modulus formalism has identified the effects of both grain and grain boundary microstructure on the dielectric properties, particularly in solid state routed samples.

A newly-designed magnetic/dielectric [Fe3O4/BaTiO3@MWCNT] nanocomposite system for modern electromagnetic absorption applications

NASA Astrophysics Data System (ADS)

Sardarian, Pouria; Naffakh-Moosavy, Homam; Afghahi, Seyyed Salman Seyyed

2017-11-01

Developments in electronic industries for telecommunications and demands for decreasing electromagnetic radiation pollution result in developing researches on microwave absorption materials. The target of the present study is to design materials with high absorption properties for electromagnetic waves in the 12-18 GHz range. Thus, Fe3O4 magnetic nanoparticles were syntheses through chemical co-precipitation reinforced by ultrasonic. Then, BaTiO3 nanocrystalline powder was synthesized by the hydrothermal sol-gel method under atmospheric oxygen. Next, nano-particles of barium titanate were deposited on the multi-walled carbon nanotubes (BaTiO3@CNT). It was concluded that a magnetic-dielectric nanocomposite has superior microwave absorption properties in comparison to individual magnetic or dielectric absorbers. Also, in order to obtain an optimum absorption in a wide frequency band, dielectric-CNT nanocomposites represents higher properties than magnetic-CNT composites. It is concluded that composites with more magnetic percentage showed better absorption in low frequency band (12 GHz), whereas composites with more dielectric percentage exhibited superior absorption for high frequency band (18 GHz). 80-93% absorption was obtained in the frequency range of 16.7-18 GHz by composite 40M.20F.40C (40% paraffin, 20% magnetite, 40% multi-walled carbon nanotubes). Also, composite 40M.20B.40B@C (40% paraffin, 20% barium titanate, 40% barium titanate deposited on multi-walled carbon nanotubes) showed the absorption of 80-90%.

Ceramic synthesis of 0.08BiGaO3-0.90BaTiO3-0.02LiNbO3 under high pressure and high temperature

NASA Astrophysics Data System (ADS)

Hui, Jin; Yong, Li; Mou-Sheng, Song; Lin, Chen; Xiao-Peng, Jia; Hong-An, Ma

2016-07-01

In this paper, the preparation of 0.08BiGaO3-0.90BaTiO3-0.02LiNbO3 is investigated at pressure 3.8 GPa and temperature 1100-1200 °C. Experimental results indicate that not only is the sintered rate more effective, but also the sintered temperature is lower under high pressure and high temperature than those of under normal pressure. It is thought that the adscititious pressure plays the key role in this process, which is discussed in detail. The composition and the structure of the as-prepared samples are recorded by XRD patterns. The result shows that the phases of BaTiO3, BaBiO2.77, and Ba2Bi4Ti5O18 with piezoelectric ceramic performance generate in the sintered samples. Furthermore, the surface morphology characteristics of the typical samples are also investigated using a scanning electron microscope. It indicates that the grain size and surface structure of the samples are closely related to the sintering temperature and sintering time. It is hoped that this study can provide a new train of thought for the preparation of lead-free piezoelectric ceramics with excellent performance. Project supported by the National Natural Science Foundation of China (Grant No. 51172089), the Natural Science Foundation of Education Department of Guizhou Province, China (Grant Nos. KY [2013]183 and LH [2015]7232), and the Research Fund for the Doctoral Program of Tongren University, China (Grant No. DS1302).

Enhanced output performance of a lead-free nanocomposite generator using BaTiO3 nanoparticles and nanowires filler

NASA Astrophysics Data System (ADS)

Baek, Changyeon; Yun, Jong Hyuk; Wang, Hee Seung; Wang, Ji Eun; Park, Hyeonbin; Park, Kwi-Il; Kim, Do Kyung

2018-01-01

Flexible nanocomposite generators based on piezoelectric nanoparticles (NPs)-polymeric matrix have been attracted attention as the energy harvesting device converted the electricity from the mechanical deformations. To enhance the piezo-potential difference introduced inside the piezoelectric nanocomposite, one-dimensional nanostructures such as CNTs, copper nanorods, and Ag nanowires (NWs) should be used inevitably as a dispersing agent for achieving well-distributed piezoelectric nanoparticles in an elastomer. These non-piezoelectric additives showed versatile roles; however, their toxicity to living organism has been an obstacle to realize the bio-eco-friendly flexible energy harvesters. Replacing them with piezoelectric NWs with non-toxic can be a challengeable approach to achieve not only the original purposes of additives but also the improvement of output performance. Here, we synthesized well-crystallized BaTiO3 spherical and acicular NPs via a simple hydrothermal reaction and the two-step hydrothermal reactions, respectively and produced piezoelectric nanocomposite made of piezoelectric BaTiO3 NPs and NWs without toxic dispersion enhancers. Output performance of the fabricated flexible energy harvesters with varying the composition of NPs and NWs were investigated by the well-optimized measurement system during the periodical bending and unbending. A nanocomposite-based energy harvester with 4:1 wt ratio generated the maximum open-circuit voltage and short-circuit current of 60 V and 1.1 μA, respectively.

Dielectric properties and microstructures for various MLCCs coated with additives

NASA Astrophysics Data System (ADS)

Oh, Min Wook; Yeo, Dong Hun; Shin, Hyo Soon; Jeong, Dae Yong

2013-12-01

As electronic devices become smaller and have higher capacity, dielectric thin films are being used in the development of multilayer ceramic capacitors (MLCCs). Smaller BaTiO3 dielectric particles should be used to obtain the thickness of low dielectric layers. Further, MLCC properties are achieved through the uniform addition of various additives, but the existing method of adding nano additives has limitations. As such, this study evaluated the dielectric properties of BaTiO3 pellets after using the liquid coating method to add additives such as Dy, Mg, Mn, Cr, and Si to 150 nm BaTiO3 dielectric powder. Mn, Cr, and Si ions were each fixed at 0.1, 0.1, and 0.65 mol-%. Sintering was performed in a reducing atmosphere, and the microstructure and the dielectric properties were evaluated while varying Dy from 0.5 to 1.0 mol-% and Mg from 1.0 to 2.0 mol-%. Grain growth was observed for higher amounts of Dy, but were suppressed for higher amounts of Mg. With regards to changes in particle size, both the permittivity and the temperature coefficient of capacitance (TCC) increased with increasing particle size. The permittivity was highest for Si=0.65, Mn=0.1, Cr=0.1 Dy=0.75, and Mg=2.0 mol-%. These levels also satisfied the TCC properties of X7R. In the microstructure, the core-shell was the most developed.

Negative Capacitance in BaTiO3/BiFeO3 Bilayer Capacitors.

PubMed

Hou, Ya-Fei; Li, Wei-Li; Zhang, Tian-Dong; Yu, Yang; Han, Ren-Lu; Fei, Wei-Dong

2016-08-31

Negative capacitances provide an approach to reduce heat generations in field-effect transistors during the switch processes, which contributes to further miniaturization of the conventional integrated circuits. Although there are many studies about negative capacitances using ferroelectric materials, the direct observation of stable ferroelectric negative capacitances has rarely been reported. Here, we put forward a dc bias assistant model in bilayer capacitors, where one ferroelectric layer with large dielectric constant and the other ferroelectric layer with small dielectric constant are needed. Negative capacitances can be obtained when external dc bias electric fields are larger than a critical value. Based on the model, BaTiO3/BiFeO3 bilayer capacitors are chosen as study objects, and negative capacitances are observed directly. Additionally, the upward self-polarization effect in the ferroelectric layer reduces the critical electric field, which may provide a method for realizing zero and/or small dc bias assistant negative capacitances.

Effect of mechanical milling on barium titanate (BaTiO3) perovskite

NASA Astrophysics Data System (ADS)

Singh, Rajan Kumar; Sanodia, Sagar; Jain, Neha; Kumar, Ranveer

2018-05-01

Commercial Barium Titanate BaTiO3 (BT) is milled by planetary ball mill in acetone medium using stainless steel bowl & ball for different hours. BT is an important perovskite oxide with structure ABO3. BT has applications in electro-optic devices, energy storing devices such as photovoltaic cells, thermistors, multiceramic capacitors & DRAMs etc. BT is non-toxic & environment friendly ceramic with high dielectric and piezoelectric property so it can be used as the substitute of PZT & PbTiO3. Here, we have investigated the effect of milling time and temperature on particle size and phase transition of BT powder. We used use Raman spectroscopy for studying the spectra of BT; XRD is used for structural study. Intensity (height) of Raman spectra and XRD spectra continuously decrease with increasing the milling hours and width if these spectra increases which indicates, decrease in BT size.

Single crystal growth of 67%BiFeO 3 -33%BaTiO 3 solution by the floating zone method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rong, Y.; Zheng, H.; Krogstad, M. J.

The growth conditions and the resultant grain morphologies and phase purities from floating-zone growth of 67%BiFeO3-33%BaTiO3 (BF-33BT) single crystals are reported. We find two formidable challenges for the growth. First, a low-melting point constituent leads to a pre-melt zone in the feed-rod that adversely affects growth stability. Second, constitutional super-cooling (CSC), which was found to lead to dendritic and columnar features in the grain morphology, necessitates slow traveling rates during growth. Both challenges were addressed by modifications to the floating-zone furnace that steepened the temperature gradient at the melt-solid interfaces. Slow growth was also required to counter the effects ofmore » CSC. Single crystals with typical dimensions of hundreds of microns have been obtained which possess high quality and are suitable for detailed structural studies.« less

Electric-field-induced phase transformation at a lead-free morphotropic phase boundary: Case study in a 93%(Bi0.5Na0.5)TiO3-7% BaTiO3 piezoelectric ceramic

NASA Astrophysics Data System (ADS)

Daniels, John E.; Jo, Wook; Rödel, Jürgen; Jones, Jacob L.

2009-07-01

The electric-field-induced strain in 93%(Bi0.5Na0.5)TiO3-7%BaTiO3 polycrystalline ceramic is shown to be the result of an electric-field-induced phase transformation from a pseudocubic to tetragonal symmetry. High-energy x-ray diffraction is used to illustrate the microstructural nature of the transformation. A combination of induced unit cell volumetric changes, domain texture, and anisotropic lattice strains are responsible for the observed macroscopic strain. This strain mechanism is not analogous to the high electric-field-induced strains observed in lead-based morphotropic phase boundary systems. Thus, systems which appear cubic under zero field should not be excluded from the search for lead-free piezoelectric compositions.

Single crystal growth of 67%BiFeO3-33%BaTiO3 solution by the floating zone method

NASA Astrophysics Data System (ADS)

Rong, Y.; Zheng, H.; Krogstad, M. J.; Mitchell, J. F.; Phelan, D.

2018-01-01

The growth conditions and the resultant grain morphologies and phase purities from floating-zone growth of 67%BiFeO3-33%BaTiO3 (BF-33BT) single crystals are reported. We find two formidable challenges for the growth. First, a low-melting point constituent leads to a pre-melt zone in the feed-rod that adversely affects growth stability. Second, constitutional super-cooling (CSC), which was found to lead to dendritic and columnar features in the grain morphology, necessitates slow traveling rates during growth. Both challenges were addressed by modifications to the floating-zone furnace that steepened the temperature gradient at the melt-solid interfaces. Slow growth was also required to counter the effects of CSC. Single crystals with typical dimensions of hundreds of microns have been obtained which possess high quality and are suitable for detailed structural studies.

Multisite occupation of divalent dopants in barium and strontium titanates

NASA Astrophysics Data System (ADS)

Zulueta, Yohandys A.; Nguyen, Minh Tho

2018-10-01

Based on recent experimental and theoretical proofs of calcium multisite occupation in barium titanate, we investigated a mixed incorporation mechanism for divalent dopants in barium and strontium titanates (BaTiO3 and SrTiO3). Our present theoretical results demonstrated the multisite occupation of divalent dopants in both perovskite structures. We determined the dependences of the solution, binding energies, and final solution energies with respect to the ionic radii of the dopants. Calculated results obtained based on classical simulations showed that the divalent dopants can occupy both A- and Ti- cation sites in ATiO3 perovskite structures. Such a multisite occupation has direct implications for other experimental findings regarding BaTiO3, such as non-stabilization of the tetragonal phase, shifts in the Curie temperature, intensification of the diffuse phase transition, and shifts in the absorption of ultraviolet light to the visible range in photocatalytic applications related to solar cells for producing energy.

Prediction of the physical properties of barium titanates using an artificial neural network

NASA Astrophysics Data System (ADS)

Al-Jabar, Ahmed Jaafar Abed; Al-dujaili, Mohammed Assi Ahmed; Al-hydary, Imad Ali Disher

2017-04-01

Barium titanate is one of the most important ceramics amongst those that are widely used in the electronic industry because of their dielectric properties. These properties are related to the physical properties of the material, namely, the density and the porosity. Thus, the prediction of these properties is highly desirable. The aim of the current work is to develop models that can predict the density, porosity, firing shrinkage, and the green density of barium titanate BaTiO3. An artificial neural network was used to fulfill this aim. The modified pechini method was used to prepare barium titanate powders with five different particle size distributions. Eighty samples were prepared using different processing parameters including the pressing rate, pressing pressure, heating rate, sintering temperature, and soaking time. In the artificial neural network (ANN) model, the experimental data set consisted of these 80 samples, 70 samples were used for training the network and 10 samples were employed for testing. A comparison was made between the experimental and the predicted data. Good performance of the ANN model was achieved, in which the results showed that the mean error for the density, porosity, shrinkage, and green density are 0.02, 0.06, 0.04, and 0.002, respectively.

Universal two-dimensional characteristics in perovskite-type oxyhydrides ATiO2H (A = Li, Na, K, Rb, Cs)

NASA Astrophysics Data System (ADS)

Sato, Nobuya; Akashi, Ryosuke; Tsuneyuki, Shinji

2017-07-01

A series of unsynthesized perovskite-type oxyhydrides ATiO2H (A = Li, Na, K, Rb, Cs) are investigated by the density functional calculations. These oxyhydrides are stable in the sense of the formation energies for some possible synthesis reactions. They are crystallized into quite similar crystal structures with the long c-axis, and the corner-sharing TiO4H2 octahedra of the ideal perovskite-type structure are deformed into the 5-fold coordinated titanium atoms with the OH plane and the apical oxygen atoms. All of these oxyhydrides exhibit two-dimensional electronic states at the valence band maximum characterized by the in-plane oxygen 2p and the hydrogen 1s orbitals. While the c-axis becomes short as the ionic radius of the A atom becomes small and the two-dimensional characteristics are weakened, the electronic state at the valence band maximum is still characterized as the O-H in-plane state. Additionally, the Born effective charge tensors, spontaneous electric polarizations, dielectric tensors, and piezoelectric tensors are evaluated. It is found that the spontaneous electric polarizations of these oxyhydrides are much larger than that of tetragonal BaTiO3.

Fully Printed Stretchable Thin-Film Transistors and Integrated Logic Circuits.

PubMed

Cai, Le; Zhang, Suoming; Miao, Jinshui; Yu, Zhibin; Wang, Chuan

2016-12-27

This paper reports intrinsically stretchable thin-film transistors (TFTs) and integrated logic circuits directly printed on elastomeric polydimethylsiloxane (PDMS) substrates. The printed devices utilize carbon nanotubes and a type of hybrid gate dielectric comprising PDMS and barium titanate (BaTiO 3 ) nanoparticles. The BaTiO 3 /PDMS composite simultaneously provides high dielectric constant, superior stretchability, low leakage, as well as good printability and compatibility with the elastomeric substrate. Both TFTs and logic circuits can be stretched beyond 50% strain along either channel length or channel width directions for thousands of cycles while showing no significant degradation in electrical performance. This work may offer an entry into more sophisticated stretchable electronic systems with monolithically integrated sensors, actuators, and displays, fabricated by scalable and low-cost methods for real life applications.

Microwave synthesis of noncentrosymmetric BaTiO3 truncated nanocubes for charge storage applications.

PubMed

Swaminathan, V; Pramana, Stevin S; White, T J; Chen, L; Chukka, Rami; Ramanujan, R V

2010-11-01

Truncated nanocubes of barium titanate (BT) were synthesized using a rapid, facile microwave-assisted hydrothermal route. Stoichiometric composition of pellets of nanocube BT powders was prepared by two-stage microwave process. Characterization by powder XRD, Rietveld refinement, SEM, TEM, and dielectric and polarization measurements was performed. X-ray diffraction revealed a polymorphic transformation from cubic Pm3̅m to tetragonal P4mm after 15 min of microwave irradiation, arising from titanium displacement along the c-axis. Secondary electron images were examined for nanocube BT synthesis and annealed at different timings. Transmission electron microscopy showed a narrow particle size distribution with an average size of 70 ± 9 nm. The remanence and saturation polarization were 15.5 ± 1.6 and 19.3 ± 1.2 μC/cm(2), respectively. A charge storage density of 925 ± 47 nF/cm(2) was obtained; Pt/BT/Pt multilayer ceramic capacitor stack had an average leakage current density of 5.78 ± 0.46 × 10(-8) A/cm(2) at ±2 V. The significance of this study shows an inexpensive and facile processing platform for synthesis of high-k dielectric for charge storage applications.

Effect of grain size on structural and dielectric properties of barium titanate piezoceramics synthesized by high energy ball milling

NASA Astrophysics Data System (ADS)

Verma, Narendra Kumar; Patel, Sandeep Kumar Singh; Kumar, Dinesh; Singh, Chandra Bhal; Singh, Akhilesh Kumar

2018-05-01

We have investigated the effect of sintering temperature on the densification behaviour, grain size, structural and dielectric properties of BaTiO3 ceramics, prepared by high energy ball milling method. The Powder x-ray diffraction reveals the tetragonal structure with space group P4mm for all the samples. The samples were sintered at four different temperatures, (T = 900°C, 1000°C, 1100°C, 1200°C and 1300°C). Density increased with increasing sintering temperature, reaching up to 97% at 1300°C. A grain growth was observed with increasing sintering temperature. Impedance analyses of the sintered samples at various temperatures were performed. Increase in dielectric constant and Curie temperature is observed with increasing sintering temperature.

Polyvinylidene fluoride based nanocomposites for the development of energy systems

NASA Astrophysics Data System (ADS)

Pereira, Joao Pedro Nunes

The economic and environmental costs of current energy resources created the need to develop new methods to generate and store energy. In this sense, the development of polymer materials led to the emergence of a new generation of porous polymers for energy applications, which are typically described as "energy polymers". The specific properties of poly(vinylidene fluoride) (PVDF) and its copolymer poly(vinylidene fluoride-co-trifluoroethylene) (P(VDF-TrFE)), such as high dielectric permittivity, high polarity, softness and flexibility, among others, make them excellent choices for energy applications. The incorporation of fillers into these polymeric matrices can also be highly advantageous, since it allows tuning certain properties of the matrices optimizing their characteristics for specific applications. According this, P(VDF-TrFE) based composite membranes with zeolites (Y zeolite, NaY), clays (montmorillonite, MMT), multiwalled-carbon nanotubes (MWCNT) and barium titanate (BaTiO3) fillers were prepared by thermally induced phase separation (TIPS) for batteries separator applications. PVDF and P(VDF-TrFE) polymers and composites with BaTiO3 were also prepared by electrospinning for energy harvesting systems. P(VDF-TrFE) composite membranes showed suitable morphological, thermal, mechanical and electrochemical properties for the development of lithium ion separator membranes for battery applications. The developed membranes showed high degrees of porosity, ranging from 70 % for the pristine polymer to a maximum of 83 % for MMT filled membrane, excepting NaY membrane which showed the lowest value of 36 %. The porosity increase is reflected in electrolyte solution uptake, which increases markedly for membranes with higher porosity reaching values above 300 % for BaTiO3 and MMT filled membranes, whereas for the pristine polymer is 225 %. The room temperature ionic conductivity showed a strong increase for all composites, from 5.24x10. -7 S/cm for the pristine polymer to a maximumof 9.22x10. -6 S/cm for the BaTiO3/P(VDF-TrFE) membrane. The ionic conductivityvariation with temperature is diminished with the inclusion of fillers, in particular for the MMT and MWCNT filled membranes. The stable operation window is at least 6.0 V for all membranes. Pristine polymer electrospun fibers of PVDF showed the best energy harvesting performance with generated output powers of 0.02 muW and 25 muW, under low and high mechanical deformation conditions, respectively. Pristine P(VDF-TrFE) and BaTiO3/P(VDF-TrFE) composites fibers showed lower output powers. The objectives of the study were successfully achieved, and the overall results are an effective contribute for the development of novel polymer based materials for energy systems applications.

Tuning Phase Composition of Polymer Nanocomposites toward High Energy Density and High Discharge Efficiency by Nonequilibrium Processing.

PubMed

Jiang, Jianyong; Zhang, Xin; Dan, Zhenkang; Ma, Jing; Lin, Yuanhua; Li, Ming; Nan, Ce-Wen; Shen, Yang

2017-09-06

Polymer nanocomposite dielectrics with high energy density and low loss are major enablers for a number of applications in modern electronic and electrical industry. Conventional fabrication of nanocomposites by solution routes involves equilibrium process, which is slow and results in structural imperfections, hence high leakage current and compromised reliability of the nanocomposites. We propose and demonstrate that a nonequilibrium process, which synergistically integrates electrospinning, hot-pressing and thermal quenching, is capable of yielding nanocomposites of very high quality. In the nonequilibrium nanocomposites of poly(vinylidene fluoride-co-hexafluoropropylene) (P(VDF-HFP)) and BaTiO 3 nanoparticles (BTO_nps), an ultrahigh Weibull modulus β of ∼30 is achieved, which is comparable to the quality of the bench-mark biaxially oriented polypropylene (BOPP) fabricated with melt-extrusion process by much more sophisticated and expensive industrial apparatus. Favorable phase composition and small crystalline size are also induced by the nonequilibrium process, which leads to concomitant enhancement of electric displacement and breakdown strength of the nanocomposite hence a high energy density of ∼21 J/cm 3 . Study on the polarization behavior and phase transformation at high electric field indicates that BTO_nps could facilitate the phase transformation from α- to β-polymorph at low electric field.

Giant negative electrocaloric effect in PbZrO3/0.88BaTiO3-0.12Bi(Mg1/2,Ti1/2)O3 multilayered composite ferroelectric thin film for solid-state refrigeration

NASA Astrophysics Data System (ADS)

Huang, D.; Wang, J. B.; Zhong, X. L.; Li, B.; Zhang, Y.; Jin, C.; Zheng, D. F.; Meng, X. J.

2017-11-01

A giant negative electrocaloric (EC) effect in a PbZrO3/(0.88BaTiO3-0.12 Bi(Mg1/2,Ti1/2)O3) (PZ/(BT-BMT)) multilayered composite ferroelectric (MCFE) thin film which is grown on Pt(111)/Ti/SiO2/Si(100) substrates by the sol-gel method is investigated in this work. The negative EC effect in the PZ/(BMT-BT) MCFE thin film is greatly higher than that in the PZ AFE thin film with an adiabatic temperature change (ATC) ΔT = 1.5 K. The ATC ΔT of the PZ/(BMT-BT) MCFE thin film is -32 K under the applied electric field change ΔE = 1151 kV/cm. The result is conducive to enhance the EC refrigeration efficiency greatly.

Giant strain with ultra-low hysteresis and high temperature stability in grain oriented lead-free K0.5Bi0.5TiO3-BaTiO3-Na0.5Bi0.5TiO3 piezoelectric materials

PubMed Central

Maurya, Deepam; Zhou, Yuan; Wang, Yaojin; Yan, Yongke; Li, Jiefang; Viehland, Dwight; Priya, Shashank

2015-01-01

We synthesized grain-oriented lead-free piezoelectric materials in (K0.5Bi0.5TiO3-BaTiO3-xNa0.5Bi0.5TiO3 (KBT-BT-NBT) system with high degree of texturing along the [001]c (c-cubic) crystallographic orientation. We demonstrate giant field induced strain (~0.48%) with an ultra-low hysteresis along with enhanced piezoelectric response (d33 ~ 190pC/N) and high temperature stability (~160°C). Transmission electron microscopy (TEM) and piezoresponse force microscopy (PFM) results demonstrate smaller size highly ordered domain structure in grain-oriented specimen relative to the conventional polycrystalline ceramics. The grain oriented specimens exhibited a high degree of non-180° domain switching, in comparison to the randomly axed ones. These results indicate the effective solution to the lead-free piezoelectric materials. PMID:25716551

Phase transitions and domain structures in multiferroics

NASA Astrophysics Data System (ADS)

Vlahos, Eftihia

2011-12-01

Thin film ferroelectrics and multiferroics are two important classes of materials interesting both from a scientific and a technological prospective. The volatility of lead and bismuth as well as environmental issues regarding the toxicity of lead are two disadvantages of the most commonly used ferroelectric random access memory (FeRAM) materials such as Pb(Zr,Ti)O3 and SrBi2Ta2O9. Therefore lead-free thin film ferroelectrics are promising substitutes as long as (a) they can be grown on technologically important substrates such as silicon, and (b) their T c and Pr become comparable to that of well established ferroelectrics. On the other hand, the development of functional room temperature ferroelectric ferromagnetic multiferroics could lead to very interesting phenomena such as control of magnetism with electric fields and control of electrical polarization with magnetic fields. This thesis focuses on the understanding of material structure-property relations using nonlinear optical spectroscopy. Nonlinear spectroscopy is an excellent tool for probing the onset of ferroelectricity, and domain dynamics in strained ferroelectrics and multiferroics. Second harmonic generation was used to detect ferroelectricity and the antiferrodistortive phase transition in thin film SrTiO3. Incipient ferroelectric CaTiO3 has been shown to become ferroelectric when strained with a combination of SHG and dielectric measurements. The tensorial nature of the induced nonlinear polarization allows for probing of the BaTiO3 and SrTiO3 polarization contributions in nanoscale BaTiO3/SrTiO3 superlattices. In addition, nonlinear optics was used to demonstrate ferroelectricity in multiferroic EuTiO3. Finally, confocal SHG and Raman microscopy were utilized to visualize polar domains in incipient ferroelectric and ferroelastic CaTiO3.

Multiferroic properties of nanocrystalline BaTiO 3

NASA Astrophysics Data System (ADS)

Mangalam, R. V. K.; Ray, Nirat; Waghmare, Umesh V.; Sundaresan, A.; Rao, C. N. R.

2009-01-01

Some of the Multiferroics [H. Schmid, Ferroelectrics 162 (1994) 317] form a rare class of materials that exhibit magneto-electric coupling arising from the coexistence of ferromagnetism and ferroelectricity, with potential for many technological applications [J.F. Scott, Nat. Mater. 6 (2007) 256; N.A. Spaldin, M. Fiebig, Science 309 (2005) 391]. Over the last decade, an active research on multiferroics has resulted in the identification of a few routes that lead to multiferroicity in bulk materials [C. Ederer, N.A. Spaldin, Nat. Mater. 3 (2004) 849; D.V. Efremov, J. van den Brink, D.I. Khomskii, Nat. Mater. 3 (2004) 853; N. Hur, S. Park, P.A. Sharma, J.S. Ahn, S. Guha, S.W. Cheong, Nature 429 (2004) 392]. While ferroelectricity in a classic ferroelectric such as BaTiO 3 is expected to diminish with the reducing particle size, [C.H. Ahn, K.M. Rabe, J.M. Triscone, Science 303 (2004) 488; J. Junquera, P. Ghosez, Nature 422 (2003) 506] ferromagnetism cannot occur in its bulk form [N.A. Hill, J. Phys. Chem. B 104 (2000) 6694]. Here, we use a combination of experiment and first-principles simulations to demonstrate that multiferroic nature emerges in intermediate size nanocrystalline BaTiO 3, ferromagnetism arising from the oxygen vacancies at the surface and ferroelectricity from the core. A strong coupling between a surface polar phonon and spin is shown to result in a magnetocapacitance effect observed at room temperature, which can open up possibilities of new electro-magneto-mechanical devices at the nano-scale.

Development of advanced polymer nanocomposite capacitors

NASA Astrophysics Data System (ADS)

Mendoza, Miguel

The current development of modern electronics has driven the need for new series of energy storage devices with higher energy density and faster charge/discharge rate. Batteries and capacitors are two of the most widely used energy storage devices. Compared with batteries, capacitors have higher power density and significant higher charge/discharge rate. Therefore, high energy density capacitors play a significant role in modern electronic devices, power applications, space flight technologies, hybrid electric vehicles, portable defibrillators, and pulse power applications. Dielectric film capacitors represent an exceptional alternative for developing high energy density capacitors due to their high dielectric constants, outstanding breakdown voltages, and flexibility. The implementation of high aspect ratio dielectric inclusions such as nanowires into polymer capacitors could lead to further enhancement of its energy density. Therefore, this research effort is focused on the development of a new series of dielectric capacitors composed of nanowire reinforced polymer matrix composites. This concept of nanocomposite capacitors combines the extraordinary physical and chemical properties of the one-dimension (1D) nanoceramics and high dielectric strength of polymer matrices, leading to a capacitor with improved dielectric properties and energy density. Lead-free sodium niobate (NaNbO3) and lead-containing lead magnesium niobate-lead titanate (0.65PMN-0.35PT) nanowires were synthesized following hydrothermal and sol-gel approaches, respectively. The as-prepared nanowires were mixed with a polyvinylidene fluoride (PVDF) matrix using solution-casting method for nanocomposites fabrication. The dielectric constants and breakdown voltages of the NaNbO3/PVDF and 0.65PMN-0.35PT/PVDF nanocomposites were measured under different frequency ranges and temperatures in order to determine their maximum energy (J/cm3) and specific (J/g) densities. The electrical properties of the synthesized nanoceramics were compared with commercially available barium titanate (BaTiO3) and lead zirconate titanate Pb(ZrxTi1-x)O3 powders embedded into a PVDF matrix. The resulting dielectric film capacitors represent an excellent alternative energy storage device for future high energy density applications.

Relationship between BaTiO₃ nanowire aspect ratio and the dielectric permittivity of nanocomposites.

PubMed

Tang, Haixiong; Zhou, Zhi; Sodano, Henry A

2014-04-23

The aspect ratio of barium titanate (BaTiO3) nanowires is demonstrated to be successfully controlled by adjusting the temperature of the hydrothermal growth from 150 to 240 °C, corresponding to aspect ratios from 9.3 to 45.8, respectively. Polyvinylidene fluoride (PVDF) nanocomposites are formed from the various aspect ratio nanowires and the relationship between the dielectric constant of the nanocomposite and the aspect ratio of the fillers is quantified. It was found that the dielectric constant of the nanocomposite increases with the aspect ratio of the nanowires. Nanocomposites with 30 vol % BaTiO3 nanowires and an aspect ratio of 45.8 can reach a dielectric constant of 44.3, which is 30.7% higher than samples with an aspect ratio of 9.3 and 352% larger than the polymer matrix. These results demonstrate that using high-aspect-ratio nanowires is an effective way to control and improve the dielectric performance of nanocomposites for future capacitor applications.

Effect of calcination routes on phase formation of BaTiO3 and their electronic and magnetic properties

NASA Astrophysics Data System (ADS)

Majumder, Supriyo; Choudhary, R. J.; Tripathi, M.; Phase, D. M.

2018-05-01

We have investigated the phase formation and correlation between electronic and magnetic properties of oxygen deficient BaTiO3 ceramics, synthesized by solid state reaction method, following different calcination paths. The phase analysis divulge that a higher calcination temperature above 1000° C is favored for tetragonal phase formation than the cubic phase. The core level X-ray photo electron spectroscopy measurements confirm the presence of oxygen vacancies and oxygen vacancy mediated Ti3+ states. As the calcination temperature and calcination time increases these oxygen vacancies and hence Ti3+ concentrations reduce in the sample. The temperature dependent magnetization curves suggest unexpected magnetic ordering, which may be due to the presence of unpaired electron at the t2g state (d1) of nearest-neighbor Ti atoms. In magnetization vs magnetic field isotherms, the regular decrease of saturation moment value with increasing calcination temperature and calcination time, can be discussed considering the amount of oxygen deficiency induced Ti3+ concentrations, present in the sample.

Dielectric relaxation in AC powder electroluminescent devices

NASA Astrophysics Data System (ADS)

Zhang, Shuai; Su, Haibin; Tan, Chuan Seng; Wong, Terence Kin Shun; Teo, Ronnie Jin Wah

2017-01-01

The dielectric properties of AC powder electroluminescent devices were measured and analyzed using complex impedance spectroscopy to determine the relaxation processes occurring within the devices. The relaxation processes identified were ascribed to the electrode polarization caused by ion accumulation at the electrode/resin interfaces, the Maxwell-Wagner-Sillars effects at the (ZnS or BaTiO3) particle/resin interfaces, and the dipolar reorientation of polymer chains in the resin matrix. Each relaxation process was represented by its corresponding equivalent circuit component. Space charge polarization at the electrodes were represented by a Warburg element, a resistor, and a constant phase element. The resin matrix, ZnS/resin and BaTiO3/resin interfaces could each be modeled by a resistor and a capacitor in parallel. The simulated equivalent circuits for three different printed structures showed good fitting with their experimental impedance results.

Electronic and Structural Properties of ABO3: Role of the B-O Coulomb Repulsions for Ferroelectricity

PubMed Central

Miura, Kaoru; Azuma, Masaki; Funakubo, Hiroshi

2011-01-01

We have investigated the role of the Ti–O Coulomb repulsions in the appearance of the ferroelectric state in BaTiO3 as well as the role of the Zn–O Coulomb repulsions in BiZn0.5Ti0.5O3, using a first-principles calculation with optimized structures. In tetragonal BaTiO3, it is found that the Coulomb repulsions between Ti 3s and 3p states and O 2s and 2p states have an important role for the appearance of Ti ion displacement. In BiZn0.5Ti0.5O3, on the other hand, the stronger Zn–O Coulomb repulsions, which are due to the 3s, 3p, and 3d (d10) states of the Zn ion, have more important role than the Ti–O Coulomb repulsions for the appearance of the tetragonal structure. Our suggestion is consistent with the other ferroelectric perovskite oxides ABO3 in the appearance of tetragonal structures as well as rhombohedral structures. PMID:28879987

Electronic and Structural Properties of ABO3: Role of the B-O Coulomb Repulsions for Ferroelectricity.

PubMed

Miura, Kaoru; Azuma, Masaki; Funakubo, Hiroshi

2011-01-17

We have investigated the role of the Ti-O Coulomb repulsions in the appearance of the ferroelectric state in BaTiO3 as well as the role of the Zn-O Coulomb repulsions in BiZn0.5Ti0.5O3, using a first-principles calculation with optimized structures. In tetragonal BaTiO3, it is found that the Coulomb repulsions between Ti 3s and 3p states and O 2s and 2p states have an important role for the appearance of Ti ion displacement. In BiZn0.5Ti0.5O3, on the other hand, the stronger Zn-O Coulomb repulsions, which are due to the 3s, 3p, and 3d (d10) states of the Zn ion, have more important role than the Ti-O Coulomb repulsions for the appearance of the tetragonal structure. Our suggestion is consistent with the other ferroelectric perovskite oxides ABO3 in the appearance of tetragonal structures as well as rhombohedral structures.

Assessment of capacitor electrodes for intracortical neural stimulation.

PubMed

Rose, T L; Kelliher, E M; Robblee, L S

1985-01-01

Capacitor electrodes offer the potential for the safest method of stimulation of neural tissue because they operate without any faradaic process occurring at the electrode-electrolyte interface. Their use eliminates problems associated with metal dissolution or water electrolysis which may occur with electrodes of noble metals. This paper reviews recent work aimed at increasing the charge storage density of capacitor electrodes to allow their application with the small areas of 10(-4) mm2 required for intracortical stimulation of single neurons. Increased charge storage with electrodes using anodic films such as TiO2 and Ta2O5 has been obtained by increasing the real surface area of microelectrodes. Experiments have also been done with BaTiO3 films which have a much higher dielectric constant than the anodic film dielectrics. State-of-the-art electrodes made with these materials, however, have a charge storage density which at best is comparable to that obtained with Pt and is considerably lower than electrochemically safe charge densities that have been reported for activated Ir. It is concluded that for very small intracortical electrodes, capacitor electrodes will not be competitive with electrodes which operate using surface localized faradaic reactions.

Onset of multiferroicity in nickel and lithium co-substituted barium titanate ceramics

NASA Astrophysics Data System (ADS)

Alkathy, Mahmoud S.; James Raju, K. C.

2018-04-01

The structural, magnetic and ferroelectric properties of nickel and lithium co-substituted barium titanate were investigated in this work. Ba(1-x)LixNix/2TiO3 (x = 0, 0.02, 0.04 and 0.08) ceramics were synthesized via solid-state reaction with the assistance of microwave heating of the starting materials. The tetragonal structure has been observed in all samples, and it is confirmed by the Rietveld refinement study. The morphological study has been carried out by FE-SEM. Electron spin resonance (ESR) has been used to study the electron interaction and to verify the magnetism behavior of present samples. No resonance signal was observed in pure BaTiO3 samples. However, the resonance signal has appeared in the co-substituted samples. The result shows that the electron interactions are strongly affected by Ni2+ and Li+ concentrations. M-H loop was traced using VSM at room temperature. The results confirm that the sample with x = 0 shows an anti-ferromagnetic response. However, a ferromagnetic hysteresis loop arises with co-substitution. The emergence of M-H loops confirms the appearance of magnetic properties in Ni2+ and Li+ co-substituted BaTiO3 ceramics. The origin of magnetic behavior could be due to the carrier-mediated exchange interactions. Room temperature P-E hysteresis loop has been investigated at an applied electric field of 35 kV/cm and 33 Hz frequency. Measurements of room temperature ferroelectric and magnetic hysteresis loops indicate that the Ni2+ and Li+ co-substituted BaTiO3 ceramics show ferroelectricity and ferromagnetism simultaneously.

Molecular Beam Epitaxy Integration of Magnetic Ferrites with Wide Bandgap Semiconductor 6Hydrogen-Silicon carbide for Next-generation Microwave and Spintronic Devices

NASA Astrophysics Data System (ADS)

Cai, Zhuhua

Ferrite/ferroelectric heterostructures have attracted much attention in recent years because of their unique ability to potentially enable dual magnetic and electric field tunability. The simultaneous magnetic and electric tunability in such structures can be applied in a wide range of microwave planar devices (e.g., tunable phase shifters, resonators, and delay lines) and spintronics (e.g., magnetic tunneling junctions for magnetic sensors and nonvolatile magnetic memories). However, the attempts to engineer ferrite/ferroelectric heterostructures to operate at the frequencies higher than 5 GHz are limited. Barium hexaferrite (BaM, BaFe12O19) is an ideal candidate for high frequency microwave device applications because of its strong uniaxial anisotropy (HA ˜17 kOe) and can be tuned to ferromagnetic resonance (FMR) at frequencies higher than 40 GHz with relatively small applied magnetic fields. Spinel ferrite Fe3O4 has a high Curie temperature of 858 K and is predicted to possess ˜ 100% spin polarization, which can lead to ultrahigh tunneling magnetoresistence even at room temperature. The performance of today's ferrite-based microwave communication and spintronic devices would be enhanced and next-generation monolithic microwave integrated circuit (MMIC) would be possible if ferrite/ferroelectric heterostructures can be integrated with wide band gap semiconductors (e.g., SiC or GaN), which can function in high-temperature, high-power, and high-frequency environments. The goal of this work is to use molecular beam epitaxy (MBE) to understand nucleation and film growth mechanisms needed to integrate magnetic ferrites (BaM and Fe3O4) with SiC, and subsequently understand the material chemistry and structure influences on forming functional interfaces (i.e., interfaces that enable effective ferrite/ferroelectric coupling). The study of chemistry, structure, and magnetic properties of three generations of BaM films grown by pulsed laser deposition shows a MBE-grown single crystalline MgO template promotes the c-axis alignment through formation of an oxygen bridge at the interface and minimizes the interface mixing, which enables the effective heteroepitaxy of device quality BaM on 6H-SiC. Epitaxial single crystalline BaM film with strong c-axis perpendicular alignment, high H A (16.2 kOe) and magnetization (4.1 kG) was also successfully grown by MBE for the first time on 6H-SiC. Through MBE, further study of the chemistry and structure evolution at the BaM//SiC interface suggests the 10 nm MgO template not only functions as a diffusion barrier, but also forms a spinel transition layer that is structurally similar to BaM. The high quality BaM film on SiC is compatible with MMIC and can also function as a magnetic layer in BaM/ferroelectric multiferroic heterostructures for electrostatic FMR tuning. Through MBE, single crystalline, epitaxial Fe3O4 (111) films and Fe 3O4/BaTiO3/Fe3O4 heterostructures were successfully integrated with 6H-SiC. The Fe3O4 film exhibits high strucutrual order with sharp interfaces and an easy axis in-plane magnetization with a coercivity of 200 Oe. In the Fe3O 4/BaTiO3/Fe3O4 heterostructure, the magnetoeletric coupling is demonstrated at room-temperature by an electric field induced magnetic anisotropy field change. The Fe3O4 /BaTiO3/Fe3O4 heterostructure has the potential application in multiferroic tunneling junction used in novel information storage. Understanding the ferrite growth mechanisms and interface functions through this research, is an important contribution toward the realization of a next-generation, multifunctional device.

Ferroelectric domain wall motion induced by polarized light

PubMed Central

Rubio-Marcos, Fernando; Del Campo, Adolfo; Marchet, Pascal; Fernández, Jose F.

2015-01-01

Ferroelectric materials exhibit spontaneous and stable polarization, which can usually be reoriented by an applied external electric field. The electrically switchable nature of this polarization is at the core of various ferroelectric devices. The motion of the associated domain walls provides the basis for ferroelectric memory, in which the storage of data bits is achieved by driving domain walls that separate regions with different polarization directions. Here we show the surprising ability to move ferroelectric domain walls of a BaTiO3 single crystal by varying the polarization angle of a coherent light source. This unexpected coupling between polarized light and ferroelectric polarization modifies the stress induced in the BaTiO3 at the domain wall, which is observed using in situ confocal Raman spectroscopy. This effect potentially leads to the non-contact remote control of ferroelectric domain walls by light. PMID:25779918

Improvement of the Reliability of Dielectrics for MLCC

NASA Astrophysics Data System (ADS)

Nakamura, Tomoyuki; Yao, Takayuki; Ikeda, Jun; Kubodera, Noriyuki; Takagi, Hiroshi

2011-10-01

To achieve enough reliability of monolithic ceramic capacitor, it is important to know the contribution of grain boundary and grain interior to its reliability and insulation resistance. As the number of grain boundaries per layer increased, mean time to failure (MTTF) increased. In addition, as the number of grain boundaries per layer increased, samples showed lower current leakage in the measured electric field range. Using these data, the grain boundary E-J curves were determined by simulation. As a result, temperature and electric field dependence of insulation resistance of grain boundary were very low. The insulation characteristics of one BaTiO3 grain per layer were examined. The resistance and reliability of grain interior were very low. To improve the degradation resistance of grain interior, Ca-doped BaTiO3-based dielectrics were developed. The influence of Ca substitution on MTTF was investigated and it was found out that MTTF increased with the increase of Ca substitution.

Electroactive BaTiO3 nanoparticle-functionalized fibrous scaffolds enhance osteogenic differentiation of mesenchymal stem cells

PubMed Central

Li, Yiping; Dai, Xiaohan; Bai, Yunyang; Liu, Yun; Wang, Yuehong; Liu, Ousheng; Yan, Fei; Tang, Zhangui; Zhang, Xuehui; Deng, Xuliang

2017-01-01

It has been proven that the surface topographic cues of fiber arrangement can induce osteogenic differentiation of mesenchymal stem cells. However, this effect alone is weak and insufficient to meet the needs of regenerative medicine. In this work, electroactivity concept was introduced to enhance the osteoinductivity of fibrous scaffolds. The randomly oriented and aligned electroactive fibrous scaffolds of poly-(l-lactic acid) (PLLA) with incorporation of ferroelectric ceramic BaTiO3 (BTO) nanoparticles (NPs) were fabricated by electrospinning. Physicochemical properties, including fiber morphology, microstructure, composition, thermal stability, surface roughness, and surface wettability, of these fibrous scaffolds were studied. The dielectric properties of the scaffolds were evaluated. The results showed that the randomly oriented BTO/PLLA composite fibrous scaffolds had the highest dielectric permittivity of 1.19, which is of the same order of magnitude as the natural bone. The combined effects of fiber orientation and electrical activity on the osteogenic responses of bone marrow mesenchymal stem cells (BM-MSCs) were specifically investigated. Randomly oriented composite fibrous scaffolds significantly promoted polygonal spreading and encouraged early osteogenic differentiation in BM-MSCs, whereas aligned composite fibrous scaffolds promoted cell elongation and discouraged osteogenic differentiation. These results evidenced that randomly fiber orientation and biomimetic electric activity have combining effects on osteogenic differentiation of BM-MSCs. Our findings indicate that coupling effects of multi-physical properties should be paid more attention to mimic the microenvironment for enhancing osteogenic differentiation of BM-MSCs. PMID:28603415

Effect of texture dispersion on the effective biaxial modulus of fiber-textured hexagonal, tetragonal, and orthorhombic films

NASA Astrophysics Data System (ADS)

Wu, Huaping; Wu, Linzhi; Du, Shanyi

2008-04-01

The effective biaxial modulus (Meff) of fiber-textured hexagonal, tetragonal, and orthorhombic films is estimated by using the Voigt-Reuss-Hill and Vook-Witt grain-interaction models. The orientation distribution function with Gaussian distributions of the two Euler angles θ and ϕ is adopted to analyze the effect of texture dispersion degree on Meff. Numerical results that are based on ZnO, BaTiO3, and yttrium barium copper oxide (YBCO) materials show that the Vook-Witt average of Meff is identical to the Voigt-Reuss-Hill average of Meff for the (001) plane of ideally fiber-textured hexagonal and tetragonal films. The ϕ distribution has no influence on Meff of the (hkl)-fiber-textured hexagonal film at any θ distribution in terms of the isotropy in the plane perpendicular to the [001] direction. Comparably, tetragonal and orthorhombic films represent considerable actions of ϕ dispersion on Meff, and the effect of ϕ dispersion on Meff of a (001)-fiber-textured YBCO film is smaller than that for a (001)-fiber-textured BaTiO3 film since the shear anisotropic factor in the (001) shear plane of a YBCO film more closely approaches 1. Enhanced θ and ϕ distributions destroy the perfect fiber textures, and as a result, the films exhibit an evolution from ideal (hkl) fiber textures to random textures with varying full widths at half maximums of θ and ϕ.

Characterization of Fe-doped SrTiO3/BaTiO3 multilayer films and their ethanol sensing applications

NASA Astrophysics Data System (ADS)

Supasai, Thidarat; Wisitsoraat, Anurat; Hodak, Satreerat

2010-03-01

Fe-doped SrTiO3/BaTiO3 multilayer films have been deposited on alumina substrate using a sol-gel spin coating technique. The field effect scanning electron microscope photographs revealed a mixture of round and facet-shaped crystals in the undoped films. This microstructure disappeared in Fe-doped films which adopted a more porous sponge-like structure. The grain size of the films decreased from 300 nm for undoped films to 100 nm and 70 nm with Fe doping concentrations of 4 and 8 wt%, respectively. The absorption edge energy for X-rays by Fe was found to be about 7121 eV consistent with Fe^2+ oxidation state. Interdigitated electrodes were applied on these films for ethanol gas sensing application. A sensitivity figure of merit based on the relative change in the resistance of the Fe-doped films 8 wt% film was found to be in the 1-3 range for ethanol doses of 100-1000 ppm when operating at 250 C and in the range of 3-10 when the operating temperature was 350 C.

Roll to Roll Electric Field "Z" Alignment of Nanoparticles from Polymer Solutions for Manufacturing Multifunctional Capacitor Films.

PubMed

Guo, Yuanhao; Batra, Saurabh; Chen, Yuwei; Wang, Enmin; Cakmak, Miko

2016-07-20

A roll to roll continuous processing method is developed for vertical alignment ("Z" alignment) of barium titanate (BaTiO3) nanoparticle columns in polystyrene (PS)/toluene solutions. This is accomplished by applying an electric field to a two-layer solution film cast on a carrier: one is the top sacrificial layer contacting the electrode and the second is the polymer solution dispersed with BaTiO3 particles. Flexible Teflon coated mesh is utilized as the top electrode that allows the evaporation of solvent through the openings. The kinetics of particle alignment and chain buckling is studied by the custom-built instrument measuring the real time optical light transmission during electric field application and drying steps. The nanoparticles dispersed in the composite bottom layer form chains due to dipole-dipole interaction under an applied electric field. In relatively weak electric fields, the particle chain axis tilts away from electric field direction due to bending caused by the shrinkage of the film during drying. The use of strong electric fields leads to maintenance of alignment of particle chains parallel to the electric field direction overcoming the compression effect. At the end of the process, the surface features of the top porous electrodes are imprinted at the top of the top sacrificial layer. By removing this layer a smooth surface film is obtained. The nanocomposite films with "Z" direction alignment of BaTiO3 particles show substantially increased dielectric permittivity in the thickness direction for enhancing the performance of capacitors.

Barium Titanate Nanoparticles for Biomarker Applications

NASA Astrophysics Data System (ADS)

Matar, O.; Posada, O. M.; Hondow, N. S.; Wälti, C.; Saunders, M.; Murray, C. A.; Brydson, R. M. D.; Milne, S. J.; Brown, A. P.

2015-10-01

A tetragonal crystal structure is required for barium titanate nanoparticles to exhibit the nonlinear optical effect of second harmonic light generation (SHG) for use as a biomarker when illuminated by a near-infrared source. Here we use synchrotron XRD to elucidate the tetragonal phase of commercially purchased tetragonal, cubic and hydrothermally prepared barium titanate (BaTiO3) nanoparticles by peak fitting with reference patterns. The local phase of individual nanoparticles is determined by STEM electron energy loss spectroscopy (EELS), measuring the core-loss O K-edge and the Ti L3-edge energy separation of the t2g, eg peaks. The results show a change in energy separation between the t2g and eg peak from the surface and core of the particles, suggesting an intraparticle phase mixture of the barium titanate nanoparticles. HAADF-STEM and bright field TEM-EDX show cellular uptake of the hydrothermally prepared BaTiO3 nanoparticles, highlighting the potential for application as biomarkers.

Study of the photovoltaic effect in thin film barium titanate

NASA Technical Reports Server (NTRS)

Grannemann, W. W.; Dharmadhikari, V. S.

1983-01-01

The feasibility of making non-volatile digital memory devices of barium titanate, BaTiO3, that are integrated onto a silicon substrate with the required ferroelectric film produced by processing, compatible with silicon technology was examined.

Synthesis and characterization of nanocrystalline LaMnO3 modified BaTiO3 ferroelectric ceramics prepared by chemical route

NASA Astrophysics Data System (ADS)

Dhak, Prasanta; Adak, Mrinal Kanti; Dhak, Debasis

2016-02-01

Nanocrystalline Ba1-3xTi1-3xLa2xMn4xO3, [x = 0.006, 0.008, 0.01 and 0.05] (abbreviated hereafter as BTLM) by chemical route. The phase formation and purity were checked by X-ray diffraction (XRD) study and transmission electron microscopy (TEM). The grain morphology after sintering was studied by scanning electron microscopy (SEM). The crystallite sizes range from 21 nm to 30 nm, while the particle size ranges between 27 nm and 38 nm. The grain size 212 nm and grain density 96.8% were found to be maximum for BTLM x = 0.05 and x = 0.01, respectively. The temperature dependence of dielectric constants was found to be more diffused and the peak value of the dielectric constant was decreased and more flat with the increase of the substituent concentration. The tangent loss was found to be decreased and reached to the minimum value of 0.032 for BTLM x = 0.05. The remnant polarization Pr, was 10 μC/cm2 for BTLM x = 0.01.

Electronic structures and abnormal phonon behaviors of cobalt-modified Na0.5Bi0.5TiO3-6%BaTiO3 single crystals

NASA Astrophysics Data System (ADS)

Huang, T.; Zhang, P.; Xu, L. P.; Chen, C.; Zhang, J. Z.; Hu, Z. G.; Luo, H. S.; Chu, J. H.

2016-10-01

Optical properties, electronic structures, and structural variations of x wt% cobalt (Co) doped Na0.5Bi0.5TiO3-6%BaTiO3 (x=0%, 0.5%, 0.8%) single crystals have been studied by temperature-dependent optical ellipsometry and Raman spectra from 250 to 650 K. Based on the temperature evolution of electronic transitions (Ecp1 and Ecp2) and the phonon modes involving Ti-O vibrations, two critical temperature points exhibit an increasing trend with Co dopants, which are related to structural variations for ferroelectric to anti-ferroelectric, and anti-ferroelectric to paraelectric transition, respectively. Additionally, distinguishing abnormal phonon behaviors can be observed from Raman spectra for the crystal of x=0.5% and 0.8%, which show reverse frequency shift of the modes involving Ti-O vibration. It can be ascribed to different relative concentration of Co2+ and Co3+ in the crystals, which has been confirmed by X-ray Photoelectron Spectroscopy data.

Displacement-type ferroelectric transition with magnetic Mn ions in perovskite Sr1-xBaxMnO3

NASA Astrophysics Data System (ADS)

Sakai, Hideaki; Fujioka, Jun; Fukuda, Tatsuo; Okuyama, Daisuke; Hashizume, Daisuke; Kagawa, Fumitaka; Nakao, Hironori; Murakami, Youich; Arima, Takahisa; Baron, Alfred Q. R.; Taguchi, Yasujiro; Tokura, Yoshinori

2012-02-01

Almost all the proper ferroelectrics with a perovskite structure discovered so far have no d-electrons in the off-center transition metal site, as exemplified by BaTiO3 and Pb(Zr,Ti)O3. This empirical d^0 rule is incompatible with the emergence of magnetism and has significantly restricted the variety of multiferroic materials. In this work, we have discovered a displacement-type ferroelectric transition originating from off-center Mn^4+ ions in antiferromagnetic Mott insulators Sr1-xBaxMnO3. As Ba concentration increases, the perovskite lattice shows the typical soft mode dynamics, and the ferroelectricity shows up for x .45. In addition to the large polarization and high transition temperature comparable to BaTiO3, we demonstrate that the magnetic order suppresses the ferroelectric lattice dilation by ˜70% and increases the soft-phonon energy by ˜50%, indicating gigantic magnetoelectric effects [1]. This work was supported by the FIRST program on ``Quantum Science on Strong Correlation''. [4pt] [1] H. Sakai et al., Phys. Rev. Lett. 107, 137601 (2011).

Observation of multiple dielectric relaxations in BaTiO3-Bi(Li1/3Ti2/3)O3 ceramics

NASA Astrophysics Data System (ADS)

Zhou, Changrong; Feteira, Antonio

2017-11-01

Dense (1 - x)BaTiO3- xBi(Li1/3Ti2/3)O3 ceramics were fabricated by the solid state reaction route. Powder X-ray diffraction analyses revealed an increase in the unit cell volume with increasing x and a change on the average crystal structure from tetragonal (space group P4mm) to cubic ( Pm\\bar{3}m ) at x > 0.10. Raman spectroscopy analyses corroborated a change of symmetry, but also showed the local structure for x > 0.10 to be inconsistent with the centrosymmetric ( Pm\\bar{3}m ) space group. The dielectric measurements revealed for the first time, to our knowledge, a double relaxor behaviour in a BaTiO3-based solid solution. Basically, with increasing x, the sharp ferroelectric anomaly at the Curie temperature ( T c) shifts towards lower temperatures until a relaxor-type response is observed, but simultaneously, another relaxation emerges above T c. The first arises from poor coupling between polar nanoregions, whereas the later obeys the Arrhenius Law and may be associated either with a defect-dipole reorientation or a Skanavi-type mechanism.

Chemical vapor deposition of silicon, silicon dioxide, titanium and ferroelectric thin films

NASA Astrophysics Data System (ADS)

Chen, Feng

Various silicon-based thin films (such as epitaxial, polycrystalline and amorphous silicon thin films, silicon dioxide thin films and silicon nitride thin films), titanium thin film and various ferroelectric thin films (such as BaTiO3 and PbTiO3 thin films) play critical roles in the manufacture of microelectronics circuits. For the past few years, there have been tremendous interests to search for cheap, safe and easy-to-use methods to develop those thin films with high quality and good step coverage. Silane is a critical chemical reagent widely used to deposit silicon-based thin films. Despite its wide use, silane is a dangerous material. It is pyrophoric, extremely flammable and may explode from heat, shock and/or friction. Because of the nature of silane, serious safety issues have been raised concerning the use, transportation, and storage of compressed gas cylinders of silane. Therefore it is desired to develop safer ways to deposit silicon-based films. In chapter III, I present the results of our research in the following fields: (1) Silane generator, (2) Substitutes of silane for deposition of silicon and silicon dioxide thin films, (3) Substitutes of silane for silicon dioxide thin film deposition. In chapter IV, hydropyridine is introduced as a new ligand for use in constructing precursors for chemical vapor deposition. Detachement of hydropyridine occurs by a low-temperature reaction leaving hydrogen in place of the hydropyridine ligands. Hydropyridine ligands can be attached to a variety of elements, including main group metals, such as aluminum and antimony, transition metals, such as titanium and tantalum, semiconductors such as silicon, and non-metals such as phosphorus and arsenic. In this study, hydropyridine-containing titanium compounds were synthesized and used as chemical vapor deposition precursors for deposition of titanium containing thin films. Some other titanium compounds were also studied for comparison. In chapter V, Chemical Vapor Depositions (CVD) of many oxide thin films including ferroelectric and high dielectric constant BaTiO3, SrTiO 3 and PbTiO3 films had been carried out under reduced pressure (30 torr--80 torr) using liquid precursors containing beta-diketone ligands. The relative reactivities of Ba(beta-diketonate)2, Sr(beta-diketonate) 2, Pb(beta-diketonate)2, Ti(beta-diketonate)3, TiO(beta-diketonate)2 and Ti(OiPr)2(beta-diketonate) 2 had been studied individually prior to the deposition of BaTiO 3, SrTiO3 and PbTiO3 thin films from the mixtures of corresponding precursors. By using multi-step deposition method, carbon free stoichiometric BaTiO3 thin films uniform in large area have been achieved.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Levin, I.; Laws, W. J.; Wang, D.

A crystal-chemical framework has been proposed for the design of pseudocubic perovskites with nanoscale ferroelectric order, and its applicability has been demonstrated using a series of representative solid solutions that combined ferroelectric (K0.5Bi0.5TiO3, BaTiO3, and PbTiO3) and antiferroelectric (Nd-substituted BiFeO3) end members. The pseudocubic structures obtained in these systems exhibited distortions that were coherent on a scale ranging from sub-nanometer to tens of nanometers, but, in all cases, the macroscopic distortion remained unresolvable even if using high-resolution X-ray powder diffraction. Different coherence lengths for the local atomic displacements account for the distinctly different dielectric, ferroelectric, and electromechanical properties exhibited bymore » the samples. The guidelines identified provide a rationale for chemically tuning the coherence length to obtain the desired functional response.« less

Giant room temperature magnetoelectric response in strain controlled nanocomposites

NASA Astrophysics Data System (ADS)

Rafique, Mohsin; Herklotz, Andreas; Dörr, Kathrin; Manzoor, Sadia

2017-05-01

We report giant magnetoelectric coupling at room temperature in a self-assembled nanocomposite of BiFeO3-CoFe2O4 (BFO-CFO) grown on a BaTiO3 (BTO) crystal. The nanocomposite consisting of CFO nanopillars embedded in a BFO matrix exhibits weak perpendicular magnetic anisotropy due to a small out-of-plane compression (˜0.3%) of the magnetostrictive (CFO) phase, enabling magnetization rotation under moderate in-plane compression. Temperature dependent magnetization measurements demonstrate strong magnetoelastic coupling between the BaTiO3 substrate and the nanocomposite film, which has been exploited to produce a large magnetoelectric response in the sample. The reorientation of ferroelectric domains in the BTO crystal upon the application of an electric field (E) alters the strain state of the nanocomposite film, thus enabling control of its magnetic anisotropy. The strain mediated magnetoelectric coupling coefficient α = μ o d M / d E calculated from remnant magnetization at room temperature is 2.6 × 10-7 s m-1 and 1.5 × 10-7 s m-1 for the out-of-plane and in-plane orientations, respectively.

Electric control of magnetization reorientation in FeRh /BaTiO3 mediated by a magnetic phase transition

NASA Astrophysics Data System (ADS)

Odkhuu, Dorj

2017-10-01

Employing first-principles calculations we predict magnetization reorientation in FeRh films epitaxially grown on BaTiO3 by reversing the electric polarization or applying the strain effect, which is associated with the recently discovered voltage-induced interfacial magnetic-phase transition by R. O. Cherifi et al. [Nat. Mater. 13, 345 (2014), 10.1038/nmat3870]. We propose that this transition from antiferromagnetic to ferromagnetic phase is the results of the mutual mechanisms of the polarization-reversal-induced volume/strain expansion in the interfacial FeRh layers and the competition between direct and indirect exchange interactions. These mechanisms are mainly driven by the ferroelectrically driven hybridization between Fe and Ti 3 d orbital states at the interface. Such a strong hybridization can further involve Rh 4 d states with large spin-orbit coupling, which, rather than the Fe 3 d orbitals, is responsible for magnetization reorientation at the magnetic-phase transition. These findings point toward the feasibility of electric field control of magnetization switching associated with the magnetic-phase transition in an antiferromagnet structure.

Interface Control of Ferroelectricity in an SrRuO3 /BaTiO3 /SrRuO3 Capacitor and its Critical Thickness.

PubMed

Shin, Yeong Jae; Kim, Yoonkoo; Kang, Sung-Jin; Nahm, Ho-Hyun; Murugavel, Pattukkannu; Kim, Jeong Rae; Cho, Myung Rae; Wang, Lingfei; Yang, Sang Mo; Yoon, Jong-Gul; Chung, Jin-Seok; Kim, Miyoung; Zhou, Hua; Chang, Seo Hyoung; Noh, Tae Won

2017-05-01

The atomic-scale synthesis of artificial oxide heterostructures offers new opportunities to create novel states that do not occur in nature. The main challenge related to synthesizing these structures is obtaining atomically sharp interfaces with designed termination sequences. In this study, it is demonstrated that the oxygen pressure (PO2) during growth plays an important role in controlling the interfacial terminations of SrRuO 3 /BaTiO 3 /SrRuO 3 (SRO/BTO/SRO) ferroelectric (FE) capacitors. The SRO/BTO/SRO heterostructures are grown by a pulsed laser deposition method. The top SRO/BTO interface, grown at high PO2 (around 150 mTorr), usually exhibits a mixture of RuO 2 -BaO and SrO-TiO 2 terminations. By reducing PO2, the authors obtain atomically sharp SRO/BTO top interfaces with uniform SrO-TiO 2 termination. Using capacitor devices with symmetric and uniform interfacial termination, it is demonstrated for the first time that the FE critical thickness can reach the theoretical limit of 3.5 unit cells. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Strain-mediated magnetic response in La0.67Sr0.33MnO3/SrTiO3/La0.67Sr0.33MnO3/BaTiO3 structure

NASA Astrophysics Data System (ADS)

Swain, Anupama; Komatsu, Katsuyoshi; Itoh, Mitsuru; Taniyama, Tomoyasu; Gorige, Venkataiah

2018-05-01

Electric field controlled magnetism is an exciting area of condensed matter physics to explore the device applications at ultra-low power consumption compared to the conventional current controlled or magnetic field controlled devices. In this study, an attempt was made to demonstrate electric field controlled magnetoresistance (MR) in a tri-layer structure consisting of La0.67Sr0.33MnO3 (LSMO) (40 nm)/SrTiO3 (10 nm)/LSMO (10 nm) grown on a 500-μm-thick BaTiO3 (001) (BTO) single crystal substrate by pulsed laser deposition technique. Epitaxial growth of the trilayer structure was confirmed by x-ray diffraction measurements. Jumps observed in the temperature-dependent magnetization curve at around the structural phase transitions of BTO ensure the strain-mediated magnetoelectric coupling between LSMO and BTO layers. A significant change in MR of this structure in applied electric fields does not show any polarity dependence. The findings are related to the lattice strain-mediated magnetoelectric coupling in ferromagnetic LSMO/ferroelectric BTO heterostructures.

High-temperature tunneling electroresistance in metal/ferroelectric/semiconductor tunnel junctions

NASA Astrophysics Data System (ADS)

Xi, Zhongnan; Jin, Qiao; Zheng, Chunyan; Zhang, Yongcheng; Lu, Chaojing; Li, Qiang; Li, Shandong; Dai, Jiyan; Wen, Zheng

2017-09-01

Recently, ferroelectric tunnel junctions (FTJs) have attracted great attention due to promising applications in non-volatile memories. In this study, we report high-temperature tunneling electroresistance (TER) of metal/ferroelectric/semiconductor FTJs. Hysteretic resistance-voltage loops are observed in the Pt/BaTiO3/Nb:SrTiO3 tunnel junction from 300 to 513 K due to the modulation of interfacial Schottky barrier by polarization switching in the 4 u.c.-thick BaTiO3 barrier via a ferroelectric field effect. The Pt/BaTiO3/Nb:SrTiO3 device exhibits a giant ROFF/RON resistance ratio of ˜3 × 105 at 383 K and maintains bipolar resistance switching up to 513 K, suggesting excellent thermal endurance of the FTJs. The temperature-dependent TER behaviors are discussed in terms of the decrease of polarization in the BaTiO3 barrier, and the associated junction barrier profiles are deduced by transport and capacitance analyses. In addition, by extrapolating the retention time at elevated temperature in an Arrhenius-type relation, activation energy of ˜0.93 eV and room-temperature retention time of ˜70 years can be extracted.

Interface Control of Ferroelectricity in an SrRuO 3/BaTiO 3/SrRuO 3 Capacitor and its Critical Thickness

DOE PAGES

Shin, Yeong Jae; Kim, Yoonkoo; Kang, Sung -Jin; ...

2017-03-03

Here, the atomic-scale synthesis of artificial oxide heterostructures offers new opportunities to create novel states that do not occur in nature. The main challenge related to synthesizing these structures is obtaining atomically sharp interfaces with designed termination sequences. In this study, it is demonstrated that the oxygen pressure (P O2) during growth plays an important role in controlling the interfacial terminations of SrRuO 3/BaTiO 3/SrRuO 3 (SRO/BTO/SRO) ferroelectric (FE) capacitors. The SRO/BTO/SRO heterostructures are grown by a pulsed laser deposition method. The top SRO/BTO interface, grown at high P O2 (around 150 mTorr), usually exhibits a mixture of RuO 2-BaOmore » and SrO-TiO 2 terminations. By reducing P O2, the authors obtain atomically sharp SRO/BTO top interfaces with uniform SrO-TiO 2 termination. Using capacitor devices with symmetric and uniform interfacial termination, it is demonstrated for the first time that the FE critical thickness can reach the theoretical limit of 3.5 unit cells.« less

Effect of grain boundary layer strain on the magnetic and transport properties of (100- x) La 0.7Ca 0.3MnO 3/( x) BaTiO 3 composites showing enhanced magnetoresistance

NASA Astrophysics Data System (ADS)

Bose, Esa; Taran, S.; Karmakar, S.; Chaudhuri, B. K.; Pal, S.; Sun, C. P.; Yang, H. D.

2007-07-01

A ferromagnetic/ferroelectric composite system, viz. (100- x)La 0.7Ca 0.3 MnO 3 [LCMO]/( x) BaTiO 3 [BTO] (with x=0.0%, 1.0%, 5.0%, 7.5%, 10.0% and 15.0%, in wt%) has been synthesized and the temperature-dependent DC magnetization M( T), resistivity ρ( T), magnetoresistance (MR), and thermoelectric power S( T) have been studied. Both metal-insulator transition temperature ( TMI) and the corresponding Curie temperature ( TC) decrease whereas peak resistivity at TMI increases as x is enhanced from 0.0% to 10.0%. For x>10.0%, this trend of variation is reversed. A maximum three-fold increase of magnetoresistance (MR) is observed (for sample with x=10.0%) due to the addition of ferroelectric (non-magnetic) perovskite BTO (compared to the mother compound LCMO). Interestingly, thermoelectric power S( T) shows a pronounced depression (dip) near the magnetic transition region for the composite samples. The above results have been analyzed considering strain induced by the LCMO/BTO grain boundary layer (BL).

Room Temperature Monoclinic Phase in BaTiO3 Single Crystals

NASA Astrophysics Data System (ADS)

Denev, Sava; Kumar, Amit; Barnes, Andrew; Vlahos, Eftihia; Shepard, Gabriella; Gopalan, Venkatraman

2010-03-01

BaTiO3 is a well studied ferroelectric material for the last half century. It is well known to show phase transitions to tetragonal, orthorhombic and rhombohedral phases upon cooling. Yet, some old and some recent studies have argued that all these phases co-exist with a second phase with monoclinic distortion. Using optical second harmonic generation (SHG) at room temperature we directly present evidence for such monoclininc phase co-existing with tetragonal phase at room temperature. We observe domains with the expected tetragonal symmetry exhibiting 90^o and 180^o domain walls. However, at points of higher stress at the tips of the interpenetrating tetragonal domains we observe a well pronounced metastable ``staircase pattern'' with a micron-scale fine structure. Polarization studies show that this phase can be explained only by monoclinic symmetry. This phase is very sensitive to external perturbations such as temperature and fields, hence stabilizing this phase at room temperature could lead to large properties' tunability.

The contribution of 180° domain wall motion to dielectric properties quantified from in situ X-ray diffraction

DOE PAGES

Fancher, C. M.; Brewer, S.; Chung, C. C.; ...

2016-12-27

Here, the contribution of 180° domain wall motion to polarization and dielectric properties of ferroelectric materials has yet to be determined experimentally. In this paper, an approach for estimating the extent of (180°) domain reversal during application of electric fields is presented. We demonstrate this method by determining the contribution of domain reversal to polarization in soft lead zirconate titanate during application of strong electric fields. At the maximum applied field, domain reversal was determined to account for >80% of the measured macroscopic polarization. We also apply the method to quantify the contribution of domain reversal to the weak-field dielectricmore » permittivity of BaTiO 3. The results of this analysis determined that domain reversal accounts for up to ~70% of the macroscopic dielectric permittivity in BaTiO 3. These results demonstrate the predominance of domain reversal to high and low-field dielectric response in ferroelectric polycrystalline materials.« less

Piezoelectric and Triboelectric Dual Effects in Mechanical-Energy Harvesting Using BaTiO3/Polydimethylsiloxane Composite Film.

PubMed

Suo, Guoquan; Yu, Yanhao; Zhang, Zhiyi; Wang, Shifa; Zhao, Ping; Li, Jianye; Wang, Xudong

2016-12-21

Piezoelectric and triboelectric nanogenerators have been developed as rising energy-harvesting devices in the past few years to effectively convert mechanical energy into electricity. Here, a novel hybrid piezo/triboelectric nanogenerator based on BaTiO 3 NP/PDMS composite film was developed in a simple and low-cost way. The effects of the BTO content and polarization degree on the output performance were systematically studied. The device with 20 wt % BTO in PDMS and a 100-μm-thick film showed the highest output power. We also designed three measurement modes to record hybrid, triboelectric, and piezoelectric outputs separately with a simple structure that has only two electrodes. The hybrid output performance is higher than the tribo- and piezoelectric performances. This work will provide not only a new way to enhance the output power of nanogenerators, but also new opportunities for developing built-in power sources in self-powered electronics.

Finite-element analysis of scattering parameters of surface acoustic wave bandpass filter formed on barium titanate thin film

NASA Astrophysics Data System (ADS)

Timoshenko; Kalinchuk; Shirokov

2018-04-01

The frequency dependence of scattering parameters of interdigital surface acoustic wave transducers placed on ferroelectric barium titanate (BaTiO3) epitaxial film in c-phase coated over magnesium oxide has been studied using the finite-element method (FEM) approach along with the perfectly matched layer (PML) technique. The interdigital transducer which has a comb-like structure with aluminum electrodes excites the mechanical wave. The distance between the fingers allows tuning the frequency properties of the wave propagation. The magnesium oxide is taken as the substrate. The two-dimensional model of two-port surface acoustic wave filter is created to calculate scattering parameters and to show how to design the fixture in COMSOLTM. Some practical computational challenges of finite element modeling of SAW devices in COMSOLTM are shown. The effect of lattice misfit strain on acoustic properties of heterostructures of BaTiO3 epitaxial film in c-phase at room temperature is discussed in present article for two low-frequency surface acoustic resonances.

The contribution of 180° domain wall motion to dielectric properties quantified from in situ X-ray diffraction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fancher, C. M.; Brewer, S.; Chung, C. C.

2017-03-01

The contribution of 180° domain wall motion to polarization and dielectric properties of ferroelectric materials has yet to be determined experimentally. In this paper, an approach for estimating the extent of (180°) domain reversal during application of electric fields is presented. We demonstrate this method by determining the contribution of domain reversal to polarization in soft lead zirconate titanate during application of strong electric fields. At the maximum applied field, domain reversal was determined to account for >80% of the measured macroscopic polarization. We also apply the method to quantify the contribution of domain reversal to the weak-field dielectric permittivitymore » of BaTiO 3. The results of this analysis determined that domain reversal accounts for up to ~70% of the macroscopic dielectric permittivity in BaTiO 3. These results demonstrate the predominance of domain reversal to high and low-field dielectric response in ferroelectric polycrystalline materials.« less

Development of a 1-m plasma source for heavy ion beam charge neutralization

NASA Astrophysics Data System (ADS)

Efthimion, Philip C.; Gilson, Erik P.; Grisham, Larry; Davidson, Ronald C.; Yu, Simon; Waldron, William; Grant Logan, B.

2005-05-01

Highly ionized plasmas are being employed as a medium for charge neutralizing heavy ion beams in order to focus to a small spot size. Calculations suggest that plasma at a density of 1-100 times the ion beam density and at a length ˜0.1-1 m would be suitable for achieving a high level of charge neutralization. A radio frequency (RF) source was constructed at the Princeton Plasma Physics Laboratory (PPPL) in support of the joint Neutralized Transport Experiment (NTX) at the Lawrence Berkeley National Laboratory (LBNL) to study ion beam neutralization. Pulsing the source enabled operation at pressures ˜10 -6 Torr with plasma densities of 10 11 cm -3. Near 100% ionization was achieved. The plasma was 10 cm in length, but future experiments require a source 1 m long. The RF source does not easily scale to the length. Consequently, large-volume plasma sources based upon ferroelectric ceramics are being considered. These sources have the advantage of being able to increase the length of the plasma and operate at low neutral pressures. The source will utilize the ferroelectric ceramic BaTiO 3 to form metal plasma. A 1 m long section of the drift tube inner surface of NTX will be covered with ceramic. A high voltage (˜1-5 kV) is applied between the drift tube and the front surface of the ceramic by placing a wire grid on the front surface. Plasma densities of 10 12 cm -3 and neutral pressures ˜10 -6 Torr are expected. A test stand to produce 20 cm long plasma is being constructed and will be tested before a 1 m long source is developed.

Investigation of dielectric behavior of the PVC/BaTiO3 composite in low-frequencies

NASA Astrophysics Data System (ADS)

Berrag, A.; Belkhiat, S.; Madani, L.

2018-04-01

Polyvinyl chloride (PVC) is widely used as insulator in electrical engineering especially as cable insulation sheaths. In order to improve the dielectric properties, polymers are mixed with ceramics. In this paper, PVC composites with different weight percentages 2 wt.%, 5 wt.%, 8 wt.% and 10 wt.% were prepared and investigated. Loss index (𝜀″) and dielectric constant (𝜀‧) have been measured using an impedance analyzer RLC. Fourier transform infrared (FTIR) spectroscopy, scanning electron microscopy (SEM) equipped with energy dispersive X-ray (EDX) have been used as characterization techniques. The incorporation of BaTiO3 does not modify the crystallinity and the morphology of the PVC but reduces the space charges, therefore the dielectric losses. The frequency response analysis has been followed in the frequency ranges (20-140 Hz and 115-1 MHz). Relaxation frequencies have been evaluated in each frequency range. Experimental measurements have been validated using Cole-Cole’s model. Experimental results show well that BaTiO3 as a filler improves the dielectric properties of PVC.

BaTiO3-based piezoelectrics: Fundamentals, current status, and perspectives

NASA Astrophysics Data System (ADS)

Acosta, M.; Novak, N.; Rojas, V.; Patel, S.; Vaish, R.; Koruza, J.; Rossetti, G. A.; Rödel, J.

2017-12-01

We present a critical review that encompasses the fundamentals and state-of-the-art knowledge of barium titanate-based piezoelectrics. First, the essential crystallography, thermodynamic relations, and concepts necessary to understand piezoelectricity and ferroelectricity in barium titanate are discussed. Strategies to optimize piezoelectric properties through microstructure control and chemical modification are also introduced. Thereafter, we systematically review the synthesis, microstructure, and phase diagrams of barium titanate-based piezoelectrics and provide a detailed compilation of their functional and mechanical properties. The most salient materials treated include the (Ba,Ca)(Zr,Ti)O3, (Ba,Ca)(Sn,Ti)O3, and (Ba,Ca)(Hf,Ti)O3 solid solution systems. The technological relevance of barium titanate-based piezoelectrics is also discussed and some potential market indicators are outlined. Finally, perspectives on productive lines of future research and promising areas for the applications of these materials are presented.

Optical triple-in digital logic using nonlinear optical four-wave mixing

NASA Astrophysics Data System (ADS)

Widjaja, Joewono; Tomita, Yasuo

1995-08-01

A new programmable optical processor is proposed for implementing triple-in combinatorial digital logic that uses four-wave mixing. Binary-coded decimal-to-octal decoding is experimentally demonstrated by use of a photorefractive BaTiO 3 crystal. The result confirms the feasibility of the proposed system.

Compressed perovskite aqueous mixtures near their phase transitions show very high permittivities: New prospects for high-field MRI dielectric shimming.

PubMed

Neves, Ana L; Leroi, Lisa; Raolison, Zo; Cochinaire, Nicolas; Letertre, Thibaut; Abdeddaïm, Redha; Enoch, Stefan; Wenger, Jerome; Berthelot, Johann; Adenot-Engelvin, Anne-Lise; Malléjac, Nicolas; Mauconduit, Franck; Vignaud, Alexandre; Sabouroux, Pierre

2018-03-01

Perovskites are greatly used nowadays in many technological applications because of their high permittivity, more specifically in the form of aqueous solutions, for MRI dielectric shimming. In this study, full dielectric characterizations of highly concentrated CaTiO 3 /BaTiO 3 water mixtures were carried out and new permittivity maxima was reached. Permittivity measurements were done on aqueous solutions from 0%v/v to dry powder. The permittivity dependence with pressure was investigated. Scanning electron microscopy images were performed on a few representative solutions. BaTiO 3 pressed pads of different thicknesses, permittivities, and distances to the head were compared in a 7T MRI scanner. Perovskite aqueous mixtures undergo a pressure-dependent phase transition in terms of permittivity, with increasing water content. A new relative permittivity maximum of 475 was achieved. Microscopic images revealed structural differences between phases. A B1+ improvement in the temporal lobe was obtained with thin, high permittivity BaTiO 3 head. This new preparation method allows improved pad geometry and placement, as a result of the high relative permittivity values achieved. This method has great significance for medical applications of MRI dielectric shimming, being easy to replicate and implement on a large scale. Magn Reson Med 79:1753-1765, 2018. © 2017 The Authors Magnetic Resonance in Medicine published by Wiley Periodicals, Inc. on behalf of International Society for Magnetic Resonance in Medicine. This is an open access article under the terms of the Creative Commons Attribution NonCommercial License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited and is not used for commercial purposes. © 2017 The Authors Magnetic Resonance in Medicine published by Wiley Periodicals, Inc. on behalf of International Society for Magnetic Resonance in Medicine.

Thermally-Induced Loss of Piezoelectricity in Ferroelectric Na0.5Bi0.5TiO3-BaTiO3

DTIC Science & Technology

2014-01-01

state laser as the excitation source. The laser light was focused on the (mirror-polished) sample surface by means of a long working distance 100...Ba or Na at the perovskite A-site, which is expected to impact the vibrational modes associated with the oxygen octahedron (above 200 cm1) [25

Size effects on magnetoelectric response of multiferroic composite with inhomogeneities

NASA Astrophysics Data System (ADS)

Yue, Y. M.; Xu, K. Y.; Chen, T.; Aifantis, E. C.

2015-12-01

This paper investigates the influence of size effects on the magnetoelectric performance of multiferroic composite with inhomogeneities. Based on a simple model of gradient elasticity for multiferroic materials, the governing equations and boundary conditions are obtained from an energy variational principle. The general formulation is applied to consider an anti-plane problem of multiferroic composites with inhomogeneities. This problem is solved analytically and the effective magnetoelectric coefficient is obtained. The influence of the internal length (grain size or particle size) on the effective magnetoelectric coefficients of piezoelectric/piezomagnetic nanoscale fibrous composite is numerically evaluated and analyzed. The results suggest that with the increase of the internal length of piezoelectric matrix (PZT and BaTiO3), the magnetoelectric coefficient increases, but the rate of increase is ratcheting downwards. If the internal length of piezoelectric matrix remains unchanged, the magnetoelectric coefficient will decrease with the increase of internal length scale of piezomagnetic nonfiber (CoFe2O3). In a composite consisiting of a piezomagnetic matrix (CoFe2O3) reinforced with piezoelectric nanofibers (BaTiO3), an increase of the internal length in the piezomagnetic matrix, results to a decrease of the magnetoelectric coefficient, with the rate of decrease diminishing.

Enhanced torsional actuation and stress coupling in Mn-modified 0.93(Na 0.5Bi 0.5TiO 3)-0.07BaTiO 3 lead-free piezoceramic system

DOE Office of Scientific and Technical Information (OSTI.GOV)

Berik, Pelin; Maurya, Deepam; Kumar, Prashant

This paper is concerned with the development of a piezoelectric d 15 shear-induced torsion actuator made of a lead-free piezoceramic material exhibiting giant piezoelectric shear stress coefficient (e 15) and piezoelectric transverse shear actuation force comparable to that of leadbased shear-mode piezoceramics. The Mn-modified 0.93(Na 0.5Bi 0.5TiO 3)-0.07BaTiO 3 (NBT-BTMn) composition exhibited excellent properties as a torsional transducer with piezoelectric shear stress coefficient on the order of 11.6 C m –2. The torsional transducer, consisting of two oppositely polarized NBT-BT-Mn d 15 mode piezoceramic shear patches, provided a rate of twist of 0.08 mm m –1 V –1 under quasi-staticmore » 150 V drive. The high value of piezoelectric shear d 15 coefficient in NBT-BT-Mn sample further demonstrated its potential in practical applications. Lastly, these results confirm that the lead-free piezoceramics can be as effective as their lead-based counterparts.« less

Effects of external mechanical loading on phase diagrams and dielectric properties in epitaxial ferroelectric thin films with anisotropic in-plane misfit strains

NASA Astrophysics Data System (ADS)

Qiu, J. H.; Jiang, Q.

2007-02-01

A phenomenological Landau-Devonshine theory is used to describe the effects of external mechanical loading on equilibrium polarization states and dielectric properties in epitaxial ferroelectric thin films grown on dissimilar orthorhombic substrates which induce anisotropic misfit strains in the film plane. The calculation focuses on single-domain perovskite BaTiO3 and PbTiO3 thin films on the assumption that um1=-um2. Compared with the phase diagrams without external loading, the characteristic features of "misfit strain-misfit strain" phase diagrams at room temperature are the presence of paraelectric phase and the strain-induced ferroelectric to paraelectric phase transition. Due to the external loading, the "misfit strain-stress" and "stress-temperature" phase diagrams also have drastic changes, especially for the vanishing of paraelectric phase in "misfit strain-stress" phase map and the appearance of possible ferroelectric phases. We also investigate the dielectric properties and the tunability of both BaTiO3 and PbTiO3 thin films. We find that the external stress dependence of phase diagrams and dielectric properties largely depends on strain anisotropy as well.

Enhanced torsional actuation and stress coupling in Mn-modified 0.93(Na0.5Bi0.5TiO3)-0.07BaTiO3 lead-free piezoceramic system

PubMed Central

Berik, Pelin; Maurya, Deepam; Kumar, Prashant; Kang, Min Gyu; Priya, Shashank

2017-01-01

Abstract This paper is concerned with the development of a piezoelectric d 15 shear-induced torsion actuator made of a lead-free piezoceramic material exhibiting giant piezoelectric shear stress coefficient (e 15) and piezoelectric transverse shear actuation force comparable to that of lead-based shear-mode piezoceramics. The Mn-modified 0.93(Na0.5Bi0.5TiO3)-0.07BaTiO3 (NBT-BT-Mn) composition exhibited excellent properties as a torsional transducer with piezoelectric shear stress coefficient on the order of 11.6 C m–2. The torsional transducer, consisting of two oppositely polarized NBT-BT-Mn d 15 mode piezoceramic shear patches, provided a rate of twist of 0.08 mm m–1 V–1 under quasi-static 150 V drive. The high value of piezoelectric shear d 15 coefficient in NBT-BT-Mn sample further demonstrated its potential in practical applications. These results confirm that the lead-free piezoceramics can be as effective as their lead-based counterparts. PMID:28179958

Enhanced torsional actuation and stress coupling in Mn-modified 0.93(Na 0.5Bi 0.5TiO 3)-0.07BaTiO 3 lead-free piezoceramic system

DOE PAGES

Berik, Pelin; Maurya, Deepam; Kumar, Prashant; ...

2017-01-09

This paper is concerned with the development of a piezoelectric d 15 shear-induced torsion actuator made of a lead-free piezoceramic material exhibiting giant piezoelectric shear stress coefficient (e 15) and piezoelectric transverse shear actuation force comparable to that of leadbased shear-mode piezoceramics. The Mn-modified 0.93(Na 0.5Bi 0.5TiO 3)-0.07BaTiO 3 (NBT-BTMn) composition exhibited excellent properties as a torsional transducer with piezoelectric shear stress coefficient on the order of 11.6 C m –2. The torsional transducer, consisting of two oppositely polarized NBT-BT-Mn d 15 mode piezoceramic shear patches, provided a rate of twist of 0.08 mm m –1 V –1 under quasi-staticmore » 150 V drive. The high value of piezoelectric shear d 15 coefficient in NBT-BT-Mn sample further demonstrated its potential in practical applications. Lastly, these results confirm that the lead-free piezoceramics can be as effective as their lead-based counterparts.« less

Fabrication of barium titanate doped strontium using co-precipitation method

NASA Astrophysics Data System (ADS)

Iriani, Y.; Yasin, M. A.; Suryana, R.

2018-03-01

Fabrication of barium titanate (BaTiO3/BT) doped strontium (Sr) using co-precipitation method has been successfully conducted. The research aim is to get the best of mole variation of Sr doping to ferroelectric material properties. Doping Sr was varied at 1%, 2%, 3%, 4% and 5% in BaTiO3. Each sample was sintered at temperature of 1100°C with holding time for 6 h and temperature rate at 10°C/min. They were then characterized by XRD instrument to investigate the crystal structure, LCR meter to measure the dielectric constant, and Sawyer Tower circuit to reveal the hysteresis curve. The peaks of XRD shift towards larger angle when mole doping Sr increase. The crystallinity of all samples is above 90% and the crystallite size is in the range of 27 nm to 34 nm. Hysteresis curve from Sawyer Tower testing confirms that all samples are ferroelectric material. The RLC measurement results reveal that the less frequency leads to the higher dielectric constant while the highest dielectric constant belongs to the BT doped 3% of Sr. Therefore, it is the best variation obtained in this research.

Enhanced superconductivity due to forward scattering in FeSe thin films on SrTiO 3 substrates

DOE PAGES

Rademaker, Louk; Wang, Yan; Berlijn, Tom; ...

2016-02-10

In this paper, we study the consequences of an electron–phonon (e–ph) interaction that is strongly peaked in the forward scattering (more » $${\\bf{q}}=0$$) direction in a two-dimensional superconductor using Migdal–Eliashberg theory. We find that strong forward scattering results in an enhanced T c that is linearly proportional to the strength of the dimensionless e–ph coupling constant $${\\lambda }_{m}$$ in the weak coupling limit. This interaction also produces distinct replica bands in the single-particle spectral function, similar to those observed in recent angle-resolved photoemission experiments on FeSe monolayers on SrTiO 3 and BaTiO 3 substrates. Finally, by comparing our model to photoemission experiments, we infer an e–ph coupling strength that can provide a significant portion of the observed high T c in these systems.« less

Ultrafast light-induced symmetry changes in single BaTiO 3 nanowires

DOE PAGES

Kuo, Yi -Hong; Nah, Sanghee; He, Kai; ...

2017-01-23

The coupling of light to nanoscale ferroelectric materials enables novel means of controlling their coupled degrees of freedom and engineering new functionality. Here we present femtosecond time-resolution nonlinear-optical measurements of light-induced dynamics within single ferroelectric barium titanate nanowires. By analyzing the time-dependent and polarization-dependent second harmonic intensity generated by the nanowire, we identify its crystallographic orientation and then make use of this information in order to probe its dynamic structural response and change in symmetry. Here, we show that photo-excitation leads to ultrafast, non-uniform modulations in the second order nonlinear susceptibility tensor, indicative of changes in the local symmetry ofmore » the nanostructure occurring on sub-picosecond time-scales.« less

Decoupling indirect topographic cross-talk in band excitation piezoresponse force microscopy imaging and spectroscopy

DOE PAGES

Mazet, Lucie; Jesse, Stephen; Niu, Gang; ...

2016-06-20

Here, all scanning probe microscopies are subjected to topographic cross-talk, meaning the topography-related contrast in functional images. Here, we investigate the signatures of indirect topographic cross-talk in piezoresponse force microscopy (PFM) imaging and spectroscopy and its decoupling using band excitation (BE) method in ferroelectric BaTiO 3 deposited on the Si substrates with free standing nanopillars of diameter 50 nm. Comparison between the single-frequency PFM and BE-PFM results shows that the measured signal can be significantly distorted by topography-induced shifts in the contact resonance frequency and cantilever transfer function. However, with proper correction, such shifts do not affect PFM imaging andmore » hysteresis loop measurements. This suggests the necessity of an advanced approach, such as BE-PFM, for detection of intrinsic sample piezoresponse on the topographically non-uniform surfaces.« less

Synthesis and electrical properties of BaBiO 3 and high resistivity BaTiO 3 –BaBiO 3 ceramics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kumar, Nitish; Golledge, Stephen L.; Cann, David P.

2016-12-01

Ceramics of the composition BaBiO3 (BB) were sintered in oxygen to obtain a single phase with monoclinic II2/mm symmetry as suggested by high-resolution X-ray diffraction. X-ray photoelectron spectroscopy confirmed the presence of bismuth in two valence states - 3+ and 5+. Optical spectroscopy showed presence of a direct bandgap at ~ 2.2eV and a possible indirect bandgap at ~ 0.9eV. This combined with determination of the activation energy for conduction of 0.25eV, as obtained from ac impedance spectroscopy, suggested that a polaron-mediated conduction mechanism was prevalent in BB. The BB ceramics were crushed, mixed with BaTiO3 (BT), and sintered tomore » obtain BT–BB solid solutions. All the ceramics had tetragonal symmetry and exhibited a normal ferroelectric-like dielectric response. Using ac impedance and optical spectroscopy, it was shown that resistivity values of BT–BB were orders of magnitude higher than BT or BB alone, indicating a change in the fundamental defect equilibrium conditions. A shift in the site occupancy of Bi to the A-site is proposed to be the mechanism for the increased electrical resistivity.« less

Modulation of resistive switching characteristics for individual BaTiO3 microfiber by surface oxygen vacancies

NASA Astrophysics Data System (ADS)

Miao, Zhilei; Chen, Lei; Zhou, Fang; Wang, Qiang

2018-01-01

Different from traditional thin-film BaTiO3 (BTO) RRAM device with planar structure, individual microfiber-shaped RRAM device, showing promising application potentials in the micro-sized non-volatile memory system, has not been investigated so far to demonstrate resistive switching behavior. In this work, individual sol-gel BTO microfiber has been formed using the draw-bench method, followed by annealing in different atmospheres of air and argon, respectively. The resistive switching characteristics of the individual BTO microfiber have been investigated by employing double-probe SEM measurement system, which shows great convenience to test local electrical properties by modulating the contact sites between the W probes and the BTO microfiber. For the sample annealed in air, the average resistive ON/OFF ratio is as high as 108, enhanced about four orders in comparison with the counterpart that annealed in Argon. For the sample annealed in argon ambience, the weakened resistive ON/OFF ratio can be attributed to the increased presence of oxygen vacancies in the surface of BTO fibers, and the underlying electrical conduction mechanisms are also discussed.

Extrinsic contributions to the dielectric response in sintered BaTiO3 nanostructures in paraelectric and ferroelectric regimes

NASA Astrophysics Data System (ADS)

Jaffari, G. Hassnain; Rehman, Atiq ur; Iqbal, Asad M.; Awan, M. S.; Saleemi, Mohsin

2017-11-01

Post sintering studies of BaTiO3 (BTO) nanoparticles are presented in detail. Bulk nanostructures were prepared via three different compaction processes, namely, uniaxial cold pressing (UCP), Cold Isostatic Pressing (CIP) and Spark Plasma Sintering (SPS). Effect of compaction technique on microstructures have been investigated and correlated with electrical response for each sample. In addition to the transport properties, temperature and frequency dependent dielectric response of variously sintered samples and bulk counterpart was recorded. Several aspects have been identified that are essential to be taken into account in order to completely understand physical processes. Drastically distinct features were observed in paraelectric (PE) regime well above ferroelectric (FE)-PE transition temperature. These features include intra grain conduction with a reduction in the magnitude of PE to FE peak dielectric constant magnitude. Role of strain, grain boundary conduction associated with observation of Maxwell Wagner relaxation and hopping conduction in dielectric and ferroelectric response have been observed and discussed. Densification with presence of oxygen vacancies, significantly enhances conductivity associated with the hopping of the carriers, in turn deteriorated ferroelectric response.

Characterization of BaTiO3 nanocubes assembled into highly ordered monolayers using micro- and nano-Raman spectroscopy

NASA Astrophysics Data System (ADS)

Itasaka, Hiroki; Mimura, Ken-ichi; Nishi, Masayuki; Kato, Kazumi

2018-05-01

We investigated the influence of heat treatment on the crystallographic structure and ferroelectric phase transition behavior of barium titanate (BaTiO3, BT) nanocubes assembled into highly ordered monolayers, using tip-enhanced Raman spectroscopy (TERS), temperature-dependent micro-Raman spectroscopy, and scanning transmission electron microscopy (STEM). TER spectra from individual BT nanocubes with the size of about 20 nm were obtained with a side-illumination optical setup, and revealed that heat treatment enhances their tetragonality. The result of temperature-dependent micro-Raman spectroscopy showed that the ferroelectric phase transition behavior of the monolayers becomes similar to that of bulk BT through heat treatment in spite of their thickness. STEM observation for the cross-section of the heated BT nanocube monolayer showed that amorphous layers exist at the interface between BT nanocubes in face-to-face contact. These results indicate that the tetragonal crystal structure of BT nanocubes is stabilized by heat treatment and the formation of the interfacial amorphous layer during heat treatment may be a key to this phenomenon.

Temperature-induced local and average structural changes in BaTiO3-xBi(Zn1/2Ti1/2)O3 solid solutions: The origin of high temperature dielectric permittivity

NASA Astrophysics Data System (ADS)

Hou, Dong; Usher, Tedi-Marie; Zhou, Hanhan; Raengthon, Natthaphon; Triamnak, Narit; Cann, David P.; Forrester, Jennifer S.; Jones, Jacob L.

2017-08-01

The existence of local tetragonal distortions is evidenced in the BaTiO3-xBi(Zn1/2Ti1/2)O3 (BT-xBZT) relaxor dielectric material system at elevated temperatures. The local and average structures of BT-xBZT with different compositions are characterized using in situ high temperature total scattering techniques. Using the box-car fitting method, it is inferred that there are tetragonal polar clusters embedded in a non-polar pseudocubic matrix for BT-xBZT relaxors. The diameter of these polar clusters is estimated as 2-3 nm at room temperature. Sequential temperature series fitting shows the persistence of the tetragonal distortion on the local scale, while the average structure transforms to a pseudocubic paraelectric phase at high temperatures. The fundamental origin of the temperature stable permittivity of BT-xBZT and the relationship with the unique local scale structures are discussed. This systematic structural study of the BT-xBZT system provides both insight into the nature of lead-free perovskite relaxors, and advances the development of a wide range of electronics with reliable high temperature performance.

Temperature-induced local and average structural changes in BaTiO 3- xBi(Zn 1/2Ti 1/2)O 3 solid solutions: The origin of high temperature dielectric permittivity

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hou, Dong; Usher, Tedi -Marie; Zhou, Hanhan

The existence of local tetragonal distortions is evidenced in the BaTiO 3–xBi(Zn 1/2Ti 1/2)O 3 (BT–xBZT) relaxor dielectric material system at elevated temperatures. The local and average structures of BT-xBZT with different compositions are characterized using in situ high temperature total scattering techniques. Using the box-car fitting method, it is inferred that there are tetragonal polar clusters embedded in a non-polar pseudocubic matrix for BT-xBZT relaxors. The diameter of these polar clusters is estimated as 2–3 nm at room temperature. Sequential temperature series fitting shows the persistence of the tetragonal distortion on the local scale, while the average structure transformsmore » to a pseudocubic paraelectric phase at high temperatures. The fundamental origin of the temperature stable permittivity of BT-xBZT and the relationship with the unique local scale structures are discussed. This systematic structural study of the BT-xBZT system provides both insight into the nature of lead-free perovskite relaxors, and advances the development of a wide range of electronics with reliable high temperature performance.« less

Improved dielectric properties of BaTiO3-added CaCu3Ti4O12 polycrystalline ceramics

NASA Astrophysics Data System (ADS)

Kim, Hui Eun; Choi, Soon-Mi; Lee, Sung-Yun; Hong, Youn-Woo; Yoo, Sang-Im

2013-05-01

The effects of the BaTiO3 (BTO) additive on the electrical properties of CaCu3Ti4O12 (CCTO) polycrystalline ceramics were systematically investigated. Various amounts of BTO powder up to 15 mol. % were added to CCTO powder. Each batch was ball-milled, pressed into pellets, and finally sintered at 1060°C for 12 h in air. Compared with pure CCTO sample ( ɛ r ˜ 52,000 and tan δ ˜ 0.38 at 100 kHz), BTO-added CCTO samples commonly showed significantly reduced dielectric losses although their dielectric constants were decreased approximately by one order of magnitude (for instance, ɛ r ˜ 4,075 and tan δ ˜ 0.02 at 100 kHz for 5 mol. % BTO-added CCTO sample). In addition, the breakdown voltages of BTO-added CCTO samples were much higher than that of pure CCTO sample, and thus the leakage currents were greatly reduced at the applied voltage above ˜ 10 V. A large reduction in the dielectric losses and leakage currents is attributed to the secondary phases segregated at the CCTO grain boundary which are composed of CaTiO3, Ba4Ti12O27, and unreacted BTO.

Temperature-induced local and average structural changes in BaTiO 3- xBi(Zn 1/2Ti 1/2)O 3 solid solutions: The origin of high temperature dielectric permittivity

DOE PAGES

Hou, Dong; Usher, Tedi -Marie; Zhou, Hanhan; ...

2017-08-11

The existence of local tetragonal distortions is evidenced in the BaTiO 3–xBi(Zn 1/2Ti 1/2)O 3 (BT–xBZT) relaxor dielectric material system at elevated temperatures. The local and average structures of BT-xBZT with different compositions are characterized using in situ high temperature total scattering techniques. Using the box-car fitting method, it is inferred that there are tetragonal polar clusters embedded in a non-polar pseudocubic matrix for BT-xBZT relaxors. The diameter of these polar clusters is estimated as 2–3 nm at room temperature. Sequential temperature series fitting shows the persistence of the tetragonal distortion on the local scale, while the average structure transformsmore » to a pseudocubic paraelectric phase at high temperatures. The fundamental origin of the temperature stable permittivity of BT-xBZT and the relationship with the unique local scale structures are discussed. This systematic structural study of the BT-xBZT system provides both insight into the nature of lead-free perovskite relaxors, and advances the development of a wide range of electronics with reliable high temperature performance.« less

Power conversion efficiency exceeding the Shockley-Queisser limit in a ferroelectric insulator

NASA Astrophysics Data System (ADS)

Spanier, Jonathan E.; Fridkin, Vladimir M.; Rappe, Andrew M.; Akbashev, Andrew R.; Polemi, Alessia; Qi, Yubo; Gu, Zongquan; Young, Steve M.; Hawley, Christopher J.; Imbrenda, Dominic; Xiao, Geoffrey; Bennett-Jackson, Andrew L.; Johnson, Craig L.

2016-09-01

Ferroelectric absorbers, which promote carrier separation and exhibit above-gap photovoltages, are attractive candidates for constructing efficient solar cells. Using the ferroelectric insulator BaTiO3 we show how photogeneration and the collection of hot, non-equilibrium electrons through the bulk photovoltaic effect (BPVE) yields a greater-than-unity quantum efficiency. Despite absorbing less than a tenth of the solar spectrum, the power conversion efficiency of the BPVE device under 1 sun illumination exceeds the Shockley-Queisser limit for a material of this bandgap. We present data for devices that feature a single-tip electrode contact and an array with 24 tips (total planar area of 1 × 1 μm2) capable of generating a current density of 17 mA cm-2 under illumination of AM1.5 G. In summary, the BPVE at the nanoscale provides an exciting new route for obtaining high-efficiency photovoltaic solar energy conversion.

Novel design of highly [110]-oriented barium titanate nanorod array and its application in nanocomposite capacitors.

PubMed

Yao, Lingmin; Pan, Zhongbin; Zhai, Jiwei; Chen, Haydn H D

2017-03-23

Nanocomposites in capacitors combining highly aligned one dimension ferroelectric nanowires with polymer would be more desirable for achieving higher energy density. However, the synthesis of the well-isolated ferroelectric oxide nanorod arrays with a high orientation has been rather scant, especially using glass-made substrates. In this study, a novel design that is capable of fabricating a highly [110]-oriented BaTiO 3 (BT) nanorod array was proposed first, using a three-step hydrothermal reaction on glass-made substrates. The details for controlling the dispersion of the nanorod array, the orientation and the aspect ratio are also discussed. It is found that the alkaline treatment of the TiO 2 (TO) nanorod array, rather than the completing transformation into sodium titanate, favors the transformation of the TO into the BT nanorod array, as well as protecting the glass-made substrate. The dispersity of the nanorod array can be controlled by the introduction of a glycol ether-deionized water mixed solvent and soluble salts. Moreover, the orientation of the nanorod arrays could be tuned by the ionic strength of the solution. This novel BT nanorod array was used as a filler in a nanocomposite capacitor, demonstrating that a large energy density (11.82 J cm -3 ) can be achieved even at a low applied electric field (3200 kV cm -1 ), which opens us a new application in nanocomposite capacitors.

Investigation on Two Forms of Temperature-Sensing Parameters for Fluorescence Intensity Ratio Thermometry Based on Thermal Coupled Theory.

PubMed

Jia, Mochen; Liu, Guofeng; Sun, Zhen; Fu, Zuoling; Xu, Weiguo

2018-02-05

Absolute temperature sensitivity (S a ) reflects the precision of sensors that belong to the same mechanism, whereas relative temperature sensitivity (S r ) is used to compare sensors from different mechanisms. For the fluorescence intensity ratio (FIR) thermometry based on two thermally coupled energy levels of one rare earth (RE) ion, we define a new ratio as the temperature-sensing parameter that can vary greatly with temperature in some circumstances, which can obtain higher S a without changing S r . Further discussion is made on the conditions under which these two forms of temperature-sensing parameters can be used to achieve higher S a for biomedical temperature sensing. Based on the new ratio as the temperature-sensing parameter, the S a and S r of the BaTiO 3 : 0.01%Pr 3+ , 8%Yb 3+ nanoparticles at 313 K reach as high as 0.1380 K -1 and 1.23% K -1 , respectively. Similarly, the S a and S r of the BaTiO 3 : 1%Er 3+ , 3%Yb 3+ nanoparticles at 313 K are as high as 0.0413 K -1 and 1.05% K -1 , respectively. By flexibly choosing the two ratios as the temperature-sensing parameter, higher S a can be obtained at the target temperature, which means higher precision for the FIR thermometers.

High-K (Ba0.8Bi0.2)(Zn0.1Ti0.9)O3 ceramics for high-temperature capacitor applications.

PubMed

Raengthon, Natthaphon; Cann, David P

2011-09-01

Solid solutions of BaTiO(3)-Bi(Zn(1/2)Ti(1/2))O(3) were investigated for high-temperature capacitor applications. Compositions close to 0.8BaTiO(3)-0.2Bi(Zn(1/2)Ti(1/2))O(3) revealed pseudo-cubic symmetry and showed a linear dielectric response. The existence of a nearly flat temperature dependence of the relative permittivity over the temperature range of 100 to 350°C was also obtained. In this study, the effects of cation non-stoichiometry and doping were investigated in an attempt to optimize the insulation resistance for high-temperature applications. The dielectric response of (Ba(0.8)-xBi(0.2))(Zn(0.1)Ti(0.9)) O(3) ceramics where 0 ≤ X ≤ 0.08, as well as ZrO2- and Mn(2)O(3)-doped ceramics were studied. The optimum compositions exhibited a relative permittivity in excess of 1150 with a low loss tangent (tan δ < 0.05) that persisted up to a temperature of 460δC. The temperature dependence of resistivity also revealed the improved insulation resistance of Ba-deficient compositions. Additionally, we suggest that an ionic conduction mechanism is responsible for the degradation of resistivity at high temperatures. The temperature coefficient of permittivity ((τ)K) and the RC time constant were also investigated.

Enhanced electrostricitive properties and thermal endurance of textured (Bi0.5Na0.5)TiO3-BaTiO3-(K0.5Na0.5)NbO3 ceramics

NASA Astrophysics Data System (ADS)

Hao, Jigong; Ye, Chenggen; Shen, Bo; Zhai, Jiwei

2013-08-01

Textured 0.92(Bi0.5Na0.5)TiO3-0.06BaTiO3-0.02(K0.5Na0.5)NbO3 (BNT-BT-KNN) ceramics have been produced by tape casting with pure-phase (Bi0.5Na0.5)TiO3 templates. Through the approach of texture construction, enhanced electrostrictive response was obtained with an electrostrictive coefficient Q33 (˜0.024 m4/C2 at 60 kV/cm) and good thermostability comparable with that of traditional Pb-based electrostrictors. Even at an electric-field as low as 35 kV/cm or at a temperature as high as 180 °C, samples still possess a large electrostrictive response with Q33 > 0.022 m4/C2, suggesting it is very promising for practical applications as a lead-free electrostrictive material owning to its wide usage range. Moreover, reducing the applied electric-filed or increasing temperature can both induce the predominant to pure electrostriction transition due to the little contributions of electrostriction strain from ferroelectric domain switching. Our work may provide a new recipe for designing high-performance BNT-based lead-free electrostrictive materials by means of texture construction.

Utilizing insulating nanoparticles as the spacer in laminated flexible polymer solar cells for improved mechanical stability.

PubMed

Lu, Yunzhang; Alexander, Clement; Xiao, Zhengguo; Yuan, Yongbo; Zhang, Runyu; Huang, Jinsong

2012-08-31

Roll-to-roll lamination is one promising technique to produce large-area organic electronic devices such as solar cells with a large through output. One challenge in this process is the frequent electric point shorting of the cathode and anode by the excess or concentrated applied stress from many possible sources. In this paper, we report a method to avoid electric point shorting by incorporating insulating and hard barium titanate (BaTiO(3)) nanoparticles (NPs) into the active layer to work as a spacer. It has been demonstrated that the incorporated BaTiO(3) NPs in poly(3-hexylthiophene):[6,6]-phenyl-c-61-butyric acid methyl ester (P3HT:PCBM) bulk heterojunction solar cells cause no deleterious effect to the power conversion process of this type of solar cell. The resulting laminated devices with NPs in the active layer display the same efficiency as the devices without NPs, while the laminated devices with NPs can sustain a ten times higher lamination stress of over 6 MPa. The flexible polymer solar cell device with incorporated NPs shows a much smaller survivable curvature radius of 4 mm, while a regular flexible device can only sustain a bending curvature radius of 8 mm before fracture.

Stress dependence of the Raman spectrum of polycrystalline barium titanate in presence of localized domain texture

NASA Astrophysics Data System (ADS)

Sakashita, Tatsuo; Deluca, Marco; Yamamoto, Shinsuke; Chazono, Hirokazu; Pezzotti, Giuseppe

2007-06-01

The stress dependence of the Raman spectrum of polycrystalline barium titanate (BaTiO3, BT) ceramics has been examined with microprobe polarized Raman spectroscopy. The angular dependence of the Raman spectrum of the tetragonal BT crystal has been theoretically established, enabling us to assess the stress dependence of selected spectral modes without the influence of crystallographic domain orientation. Upon considering the frequency shift of selected Raman modes as a function of orientation between the crystallographic axis and the polarization vector of incident and scattered light, a suitable instrumental configuration has been selected, which allowed a direct residual stress measurement according to a modified piezospectroscopic procedure. The analysis is based on the selection of mixed photostimulated spectral modes in two perpendicular angular orientations.

Phase-pure eutectic CoFe2O4-Ba1-xSrxTiO3 composites prepared by floating zone melting

NASA Astrophysics Data System (ADS)

Breitenbach, Martin; Ebbinghaus, Stefan G.

2018-02-01

Composites consisting of ferrimagnetic CoFe2O4 and ferroelectric Ba1-xSrxTiO3 were grown by the floating zone technique. The influence of Sr substitution, growth rate and atmosphere during the floating zone process were investigated. The formation of the non-ferroelectric, hexagonal modification of BaTiO3 was avoided by a slight Sr substitution of 3 mol% and the formation of BaFe12O19 was suppressed using pure nitrogen as atmosphere during the floating zone melting. These synthesis parameters led to phase-pure, but electrically conductive CoFe2O4-Ba1-xSrxTiO3 composites. A thermal treatment at 973 K in air resulted in a strong increase of the electric resistivity accompanied by a decrease of the unit-cell parameters of both components indicating the healing of oxygen defects. SEM investigations revealed a variety of different geometric structures and crack-free interfaces between both phases. The low porosities observed in the micrographs correspond with densities above 90%. Magnetoelectric (ME) measurements confirmed a coupling between the ferroic orders of both phases with a hysteresis and maximum αME of 1.3 mV Oe-1 cm-1.

Temperature-dependent leakage current behavior of epitaxial Bi0.5Na0.5TiO3-based thin films made by pulsed laser deposition

NASA Astrophysics Data System (ADS)

Hejazi, M. M.; Safari, A.

2011-11-01

This paper discusses the electrical conduction mechanisms in a 0.88 Bi0.5Na0.5TiO3-0.08 Bi0.5K0.5TiO3-0.04 BaTiO3 thin film in the temperature range of 200-350 K. The film was deposited on a SrRuO3/SrTiO3 substrate by pulsed laser deposition technique. At all measurement temperatures, the leakage current behavior of the film matched well with the Lampert's triangle bounded by three straight lines of different slopes. The relative location of the triangle sides varied with temperature due to its effect on the density of charge carriers and un-filled traps. At low electric fields, the ohmic conduction governed the leakage mechanism. The calculated activation energy of the trap is 0.19 eV implying the presence of shallow traps in the film. With increasing the applied field, an abrupt increase in the leakage current was observed. This was attributed to a trap-filling process by the injected carriers. At sufficiently high electric fields, the leakage current obeyed the Child's trap-free square law suggesting the space charge limited current was the dominant mechanism.

Unfolding grain size effects in barium titanate ferroelectric ceramics

PubMed Central

Tan, Yongqiang; Zhang, Jialiang; Wu, Yanqing; Wang, Chunlei; Koval, Vladimir; Shi, Baogui; Ye, Haitao; McKinnon, Ruth; Viola, Giuseppe; Yan, Haixue

2015-01-01

Grain size effects on the physical properties of polycrystalline ferroelectrics have been extensively studied for decades; however there are still major controversies regarding the dependence of the piezoelectric and ferroelectric properties on the grain size. Dense BaTiO3 ceramics with different grain sizes were fabricated by either conventional sintering or spark plasma sintering using micro- and nano-sized powders. The results show that the grain size effect on the dielectric permittivity is nearly independent of the sintering method and starting powder used. A peak in the permittivity is observed in all the ceramics with a grain size near 1 μm and can be attributed to a maximum domain wall density and mobility. The piezoelectric coefficient d33 and remnant polarization Pr show diverse grain size effects depending on the particle size of the starting powder and sintering temperature. This suggests that besides domain wall density, other factors such as back fields and point defects, which influence the domain wall mobility, could be responsible for the different grain size dependence observed in the dielectric and piezoelectric/ferroelectric properties. In cases where point defects are not the dominant contributor, the piezoelectric constant d33 and the remnant polarization Pr increase with increasing grain size. PMID:25951408

Materials Research of Perovskite Thin Films for Uncooled Infrared (IR) Detectors

DTIC Science & Technology

2011-07-01

Today April 2010, 5 (2), 99–105. 4. Livingston, F. E.; Helvajian , H . Laser Processing Architecture for Improved Material Processing. in Laser...crystalline final perovskite (BaTiO3) in only 3 h , representing a significantly increased throughput compared to previous results using vapor...Plane Arrays; ARL-TR-5389; U.S. Army Research Laboratory: Adelphi, MD, November 2010. 5. Wemple, S. H . Phys. Rev. B 1970, 2, 2679. 6. Xu, J

Possible ferrimagnetism and ferroelectricity of half-substituted rare-earth titanate: A first-principles study on Y0.5La0.5TiO3

NASA Astrophysics Data System (ADS)

An, Ming; Zhang, Hui-Min; Weng, Ya-Kui; Zhang, Yang; Dong, Shuai

2016-04-01

Titanates with the perovskite structure, including ferroelectrics (e.g., BaTiO3) and ferromagnetic ones (e.g., YTiO3), are important functional materials. Recent theoretical studies predicted multiferroic states in strained EuTiO3 and titanate superlattices, the former of which has already been experimental confirmed. Here, a first-principles calculation is performed to investigate the structural, magnetic, and electronic properties of Y half-substituted LaTiO3. Our results reveal that the magnetism of Y0.5La0.5TiO3 sensitively depends on its structural details because of the inherent phase competition. The lowest energy state is the ferromagnetic state, resulting in 0.25 μ B /Ti. Furthermore, some configurations of Y0.5La0.5TiO3 exhibit hybrid improper polarizations, which can be significantly affected by magnetism, resulting in the multiferroic properties. Because of the quenching disorder of substitution, the real Y0.5La0.5TiO3 material with random A-site ions may exhibit interesting relaxor behaviors.

High electromechanical strain and enhanced temperature characteristics in lead-free (Na,Bi)TiO3-BaTiO3 thin films on Si substrates.

PubMed

Tanaka, Yoshiaki; Okamoto, Shoji; Hashimoto, Kazuya; Takayama, Ryoichi; Harigai, Takakiyo; Adachi, Hideaki; Fujii, Eiji

2018-05-18

Here, we demonstrate the high electromechanical strain and enhanced temperature characteristics in the c-axis-oriented lead-free (Na,Bi)TiO 3 -BaTiO 3 (NBT-BT) polycrystalline thin film prepared on Si substrates by rf magnetron sputtering. The effective transverse piezoelectric coefficient, e 31 * , estimated from the electromechanical strain measured under high electric field, reaches a high level of -12.5 C/m 2 , and is comparable to those of conventional Pb(Zr,Ti)O 3 films. In-situ X-ray diffraction measurement and electron diffraction analysis revealed the electromechanical strain of the NBT-BT film to originate predominantly in elongation of the tetragonal (P4bm) crystal lattice in the c-axis direction. In addition to the large e 31 * , the NBT-BT film exhibits enhanced permittivity maximum temperature, T m , of ~400 °C and no depolarization below T m , as compared to bulk NBT-BT having T m ≈ 300 °C and a depolarization temperature of ~100 °C. We conclude that the enhancement of temperature characteristics is associated with the distorted P4bm crystal lattice formed by deposition-induced stress and defects. We believe that the present study paves the way for practical applications of lead-free piezoelectric thin films in electromechanical devices.

Performance and Mechanism of Piezo-Catalytic Degradation of 4-Chlorophenol: Finding of Effective Piezo-Dechlorination.

PubMed

Lan, Shenyu; Feng, Jinxi; Xiong, Ya; Tian, Shuanghong; Liu, Shengwei; Kong, Lingjun

2017-06-06

Piezo-catalysis was first used to degrade a nondye pollutant, 4-chlorophenol (4-CP). In this process, hydrothermally synthesized tetragonal BaTiO 3 nano/micrometer-sized particles were used as the piezo-catalyst, and the ultrasonic irradiation with low frequency was selected as the vibration energy to cause the deformation of tetragonal BaTiO 3 . It was found that the piezoelectric potential from the deformation could not only successfully degrade 4-chlorophenol but also effectively dechlorinate it at the same time, and five kinds of dechlorinated intermediates, hydroquinone, benzoquinone, phenol, cyclohexanone, and cyclohexanol, were determined. This is the first sample of piezo-dechlorination. Although various active species, including h + , e - , •H, •OH, •O 2 - , 1 O 2 , and H 2 O 2 , were generated in the piezoelectric process, it was confirmed by ESR, scavenger studies, and LC-MS that the degradation and dechlorination were mainly attributed to •OH radicals. These •OH radicals were chiefly derived from the electron reduction of O 2 , partly from the hole oxidation of H 2 O. These results indicated that the piezo-catalysis was an emerging and effective advanced oxidation technology for degradation and dechlorination of organic pollutants.

Electronic and mechanical response of graphene on BaTiO3 at martensitic phase transitions

NASA Astrophysics Data System (ADS)

Verhagen, Tim; Vales, Vaclav; Kalbac, Martin; Vejpravova, Jana

2018-02-01

Graphene is extremely sensitive to optical, electrical and mechanical stimuli, which cause a significant variation of the band structure, thus the physiochemical properties. In our work, we report on changes of strain and doping in graphene grown by chemical vapor deposition on copper and transferred onto a BaTiO3(1 0 0) (BTO) single-crystal. The BTO is known as a ferroelectric material, which undergoes several thermoelastic martensitic phase transitions when it is cooled from 300 K to 10 K. In order to enhance the very weak Raman signal of the graphene monolayer (ML) on the BTO, a 15 nm thin gold layer was deposited on top of the graphene ML to benefit from the surface enhanced Raman scattering. Using temperature dependent Raman spectral mapping, the principal Raman modes (D, G and 2D) of the graphene ML were followed in situ. From a careful analysis of these Raman modes, we conclude that the induced strain and doping of the graphene ML follows the martensitic phase transitions of the BTO crystal. Our study suggests potential exploitation of the graphene as a highly sensitive opto-mechanical sensor or transducer.

Performance analysis of resistive switching devices based on BaTiO3 thin films

NASA Astrophysics Data System (ADS)

Samardzic, Natasa; Kojic, Tijana; Vukmirovic, Jelena; Tripkovic, Djordjije; Bajac, Branimir; Srdic, Vladimir; Stojanovic, Goran

2016-03-01

Resitive switching devices, memristors, have recenty attracted much attention due to promising performances and potential applications in the field of logic and memory devices. Here, we present thin film BaTiO3 based memristor fabricated using ink-jet printing technique. Active material is a single layer barium titanate film with thickness of ̴100 nm, sandwitched between metal electodes. Printing parameters were optimized aiming to achieve stable drop flow and uniform printed layer. Current-voltage characteristics show typical memristive behavior with pinched hysteresis loop crossed at the origin, with marked differences between High Resistive State (HRS) and Low Resistive State (LRS). Obtained resistive states are stable during numerous switching processes. The device also shows unipolar switching effect for negative voltage impulses. Variable voltage impulse amplitudes leads to the shifting of the energy levels of electode contacts resulting in changing of the overall current through the device. Structural charcterization have been performed using XRD analysis and SEM micrography. High-temperature current-voltage measurements combined with transport parameter analysis using Hall efect measurement system (HMS 3000) and Impedance Analyzer AC measurements allows deeper insigth into conduction mechanism of ferroelectric memristors.

Effect of microwaves on the synthesis, structural and dielectric properties of Ca-modified BaTiO3 ceramics

NASA Astrophysics Data System (ADS)

Salhi, Abdelaziz; Sayouri, Salah-eddine; Jaber, Boujemaa; Omari, L.-Haj

2018-05-01

A pre-heat treatment with a domestic microwave, (MW), performed on gel-dry of sol gel processed Ca-modified BaTiO3, with the chemical formulation Ba1- x Ca x TiO3 such as x = 0, 1, 5, 10, 15, 20 and 30%, has been shown to lower the calcination temperature of these samples and to strongly influence their physicochemical properties. Indeed, X-ray diffraction and Raman characterizations of the samples revealed a gradual change from tetragonal to pseudo cubic phase with increasing x and a predominance of the occupation of the Ti-site for the composition x < 10 and that of the Ba-site for x ≥ 10. Dielectric measurements have shown that the temperature, T m, of the ferro-to-paraelectric transition is sensitive to the above-mentioned behavior, with a diffuse character of this transition; T m first decreases for the concentrations in x such as x < = 10 (predominance of occupation of Ti sites) before it increases for the compositions with x > 10 (predominance of occupation of Ba-sites). The thermal behavior of the permittivity has been approached by the modified Uchino's law, allowing the calculation of the dielectric parameters (diffuseness and relaxation parameters).

Effects of content and surface hydrophobic modification of BaTiO3 on the cooling properties of ASA (acrylonitrile-styrene-acrylate copolymer)

NASA Astrophysics Data System (ADS)

Xiang, Bo; Zhang, Jun

2018-01-01

For the field of cool material, barium titanate (BaTiO3, BT) is still a new member that needs to be further studied. Herein, the effects of both content and surface hydrophobic modification of BT on the cooling properties of acrylonitrile-styrene-acrylate copolymer (ASA) were detailedly investigated, aiming to fabricate composited cool material. Butyl acrylate (BA) was employed to convert the surface of BT from hydrophilic to hydrophobic. The addition of unmodified BT could significantly improve the solar reflectance of ASA, especially when the addition amount is 3 vol%, the near infrared (NIR) reflectance increased from 22.02 to 72.60%. However, serious agglomeration occurred when the addition amount increased to 5 vol% and therefore led to a relatively smaller increase in solar reflectance and an obvious decline in impact strength. After surface hydrophobic modification, the modified BT (M-BT) presented better dispersibility in ASA matrix, which contributed to the improvement of both solar reflectance and impact strength. In addition, the temperature test provided a more sufficient and intuitive way to evaluate the cooling effect of the composited cool materials, and a significant decrease (over 10 °C) could be achieved in the temperature test when M-BT particles were introduced.

Comparative Study of Ferroelectric and Piezoelectric Properties of BNT-BKT-BT Ceramics near the Phase Transition Zone

PubMed Central

Fernandez-Benavides, David Andres; Gutierrez-Perez, Aixa Ibeth; Benitez-Castro, Angelica Maria; Ayala-Ayala, Maria Teresa; Moreno-Murguia, Barbara

2018-01-01

We report a comprehensive comparative study of ferroelectric and piezoelectric properties of BNT-BKT-BT ceramics through the MPB (morphotropic phase boundary) zone, from the rhombohedral to the tetragonal phases in the system (97.5−x)(Bi0.5Na0.5)TiO3 + x(Bi0.5K0.5)TiO3 + 2.5(BaTiO3), where x = 0 to 24.5 mol %. The structural transitions were studied by XRD patterns and Raman spectra. The MPB was confirmed between x = 10 and 12.5 mol % BKT. The dielectric/ferroelectric/piezoelectric properties of the BNT-BKT-BT system are maximized in the MPB region exhibiting a dielectric constant of 1506, a remanent polarization of 34.4 μC/cm2, a coercive field = 36.9 kV/cm, and piezoelectric values of d33 = 109 pC/N, kt = 0.52, and kp = 0.24. Changes in microstructure as a function of BKT content are also presented and discussed. PMID:29494486

Systematic Study of Pyroelectricity. Applications of Pyroelectric Materials.

DTIC Science & Technology

1979-07-01

those now in use are not likely to be found within the well-known families of ferroelectrics (e.g. perovskites or triglycine sulfate derivatives) or by...renewal of interest in this approach , it would appear not to be applicable to a large class of ferroelectrics, including the perovskites , where the...neutron scattering experiments6 on BaTiO 3 , KTaO3 , IKTa Nb 0 (KTN), and SrTiO Additional evidence for disorder in the X l-x 3 perovskites nas been

The effects of PbZn1/3Nb2/3O3-doping on structural, thermal, optical, dielectric, and ferroelectric properties of BaTiO3 ceramics

NASA Astrophysics Data System (ADS)

Suchanicz, J.; Świerczek, K.; Sitko, D.; Czaja, P.; Marchet, P.; Czternastek, H.; Majda, D.

2017-09-01

Low-lead (1-x)BT-xPZN (x = 0, 0.025, 0.05, 0.075, 0.10, 0.125, and 0.15) ceramics were successfully synthesized by the spark-plasma-sintering method for the first time. Their phase transition behavior as well as structural, thermal, optical, and electrical properties was investigated. These materials exhibit the structure of perovskite-type solid solutions and undergo a sequence of phase transitions, typical of pure BaTiO3 (BT). The dielectric test results revealed that with the increase in the PbZn1/3Nb2/3O3 (PZN) content, the frequency dispersion of electric permittivity increases, whilst the dielectric/ferroelectric properties tend to deteriorate, which is characteristic of relaxor-type behavior. Therefore, it is reasonable to suppose that these ceramics progressively lack long-range ordering. These effects are due to the competition between lone-pair electrons' induced changes in the A-O band upon Pb2+ addition and ionic size differences. In general, the transition temperatures observed by dielectric analyses are in good agreement with those obtained from X-ray diffraction and differential scanning calorimetry measurements. The BT-PZN system may help to understand why relaxor behavior appears in perovskite-based materials. It appears that these materials can become a good starting point for the development of new low-lead electronic ceramics.

Fabrication and Characterization of (100),(001)-Oriented Reduction-Resistant Lead-Free Piezoelectric (Ba,Ca)TiO3 Ceramics Using Platelike Seed Crystals

NASA Astrophysics Data System (ADS)

Ichikawa, Hiroki; Sakamoto, Wataru; Akiyama, Yoshikazu; Maiwa, Hiroshi; Moriya, Makoto; Yogo, Toshinobu

2013-09-01

The preparation of reduction-resistant (Ba,Ca)TiO3 ceramics as lead-free piezoelectric materials was studied. To improve their electrical properties, (100),(001)-oriented (Ba0.85Ca0.15)TiO3 ceramics were fabricated by the reactive templated grain growth method using a mixture of platelike CaTiO3 and BaTiO3 particles. The platelike CaTiO3 and BaTiO3 particles were prepared through a topochemical microcrystal conversion process using CaBi4Ti4O15 and BaBi4Ti4O15 plate-like precursor crystals. The 100 orientation degree of the grain-oriented (Ba0.85Ca0.15)TiO3 ceramics was 92%, as estimated by Lotgering's equation. In addition, 1 mol % Ba excess and 1 mol % Mn-doped (Ba0.85Ca0.15)TiO3 sintered bodies, which were sintered at 1350 °C in an Ar flow containing H2 (0.3%), had sufficient resistivity to allow the characterization of electrical properties. The ferroelectric and field-induced strain properties of the (Ba0.85Ca0.15)TiO3 ceramics, sintered in the reducing atmosphere, were markedly improved as a result of fabricating grain-oriented samples. The field-induced strain coefficient (estimated from the slope of the unipolar strain loop) of the nonreducible (100),(001)-oriented (Ba0.85Ca0.15)TiO3 ceramics reached 570 pm/V, which was higher than that of polycrystals (260 pm/V) with no preferential orientation.

Nanodesigning of Hierarchical Multifunctional Ceramics

DTIC Science & Technology

1993-09-28

transformations were determined by XRD. As in previous studies, the final particle size of BaTiO 3, obtair-0 trom either the titanium isopropoxide ...conditions by reacting nanosized titanium oxide or titanium alkoxides with a solution of barium hydroxide. The powders produced by this approach range in...optical ceramic-polymer composites using colloidal dispersion techniques. In our experiments, we used either a high purity titania sood or titanium

Reliability Studies of Ceramic Capacitors.

DTIC Science & Technology

1987-03-01

with barium/ titanium ratios of greater than one exhibit higher current levels and enhanced degradation compared to the excess titanium compositions. This...essentially insoluble in BaTiO -4- 3. Compositions with barium/ titanium ratios less than one exhibit higher current levels and enhanced degradation compared...this process is shown in figure 1. The cationic sources which have been successfully used are carbonates, hydroxides, isopropoxides , and nitrates. The

Microstructure, Piezoelectric, and Ferroelectric Properties of BZT-Modified BiFeO3-BaTiO3 Multiferroic Ceramics with MnO2 and CuO Addition

NASA Astrophysics Data System (ADS)

Guan, Shibo; Yang, Huabin; Chen, Guangcong; Zhang, Rui

2018-02-01

A new lead-free piezoelectric ceramic, 0.67BiFeO3-0.33BaTiO3-xBi(Zn0.5Ti0.5) O3 + 0.0035MnO2 + 0.004CuO, was prepared through the solid-state reaction route. The ceramic was sintered in the 950-990°C range. In this paper, the crystal structure of the sample is pure perovskite structure with a pseudo-cubic structure in the range of x = 0-0.05, and does not change greatly with the increase of x. The grain size increases first and then decreases with the increase of x. The addition of Bi(Zn0.5Ti0.5) O3(BZT) promoted the grain growth of the sample. The piezoelectric constant reached the maximum value of d 33 = 188 pC/N, electromechanical coupling coefficient k p = 0.301 and the remanent polarization P r = 61.20 μC/cm2 at x = 0.03. It has a high Curie temperature of T c = 420°C. On the other hand, the depolarization temperature reaches the maximum value, T d = 426°C, at x = 0. A small amount of BZT doping can improve the piezoelectric, dielectric, and ferroelectric properties of the samples. Therefore, this material can be considered as a promising lead-free piezoelectric ceramic material in the application field of high-temperature materials.

Domain structures and local switching in lead-free piezoceramics Ba0.85Ca0.15Ti0.90Zr0.10O3

NASA Astrophysics Data System (ADS)

Turygin, A. P.; Neradovskiy, M. M.; Naumova, N. A.; Zayats, D. V.; Coondoo, I.; Kholkin, A. L.; Shur, V. Ya.

2015-08-01

Lead-free piezoelectrics are becoming increasingly important in view of environmental problems of currently used lead-based perovskites such as lead zirconate titanate (PZT). One of the recent candidates for PZT replacement, solid solutions of BaZr0.2Ti0.8O3 and Ba0.7Ca0.3TiO3, are investigated in this work by piezoresponse force microscopy. Coexistence of the tetragonal and rhombohedral phases in this material is observed, which probably gives rise to easy polarization switching due to multiple domain states. The period of observed domain lamella scales with the grain size obeying well-known square root dependence characteristic of BaTiO3 ceramics. Domain switching and relaxation are investigated at the nanoscale as a function of the applied voltage and duration of the applied voltage pulses. The observed distortion of piezoresponse hysteresis loops near grain boundaries is attested to the increased concentration of defects. Nanoscale piezoelectric properties of these materials are discussed.

Aerosol Combustion Synthesis of Nanopowders and Processing to Functional Thin Films

NASA Astrophysics Data System (ADS)

Yi, Eongyu

In this dissertation, the advantages of liquid-feed flame spray pyrolysis (LF-FSP) process in producing nanoparticles (NPs) as well as processing the produced NPs to ceramic/polymer nanocomposite films and high density polycrystalline ceramic films are demonstrated. The LF-FSP process aerosolizes alcohol solutions of metalloorganic precursors by oxygen and combusts them at > 1500 °C. The combustion products are rapidly quenched ( 10s of ms) to < 400 °C, producing NPs with the same compositions as those of the precursor solutions. The high specific surface areas of NPs enable formulation of ceramic/polymer/interface(phase) ternary nanocomposites in which the interphase can be the determining factor of the final net properties. In ceramic processing, NPs show increased sinterability and provide access to small average grain sizes with fine control of microstructures, compared to when micron sized powders are used. Therefore, synthesis, processing, and characterization of NPs, NP derived nanocomposites and ceramic monoliths are of great interest. We first compare the LF-FSP to commercial FSP process by producing fumed silica. Combusting spirocyclic alkoxysilanes or Si(OEt)4 by LF-FSP process produced fumed silica very similar to SiCl4 derived products. Given LF-FSP approach does not require the containment constraints of the SiCl4 process and precursors are synthesized from rice hull ash, the reported approach represents a sustainable, green and potentially lower cost alternative. We then show the versatility of NPs in formulating flexible ceramic/polymer nanocomposites (BaTiO3/epoxy) with superior properties. Volume fractions of the BaTiO3 filler and composite film thicknesses were controlled to adjust the net dielectric constant and the capacitance. Measured net dielectric constants further deviated from theory, with increasing solids loadings, due to NP agglomeration. Wound nanocomposite capacitors showed ten times higher capacitance compared to the commercial counterpart. Following series of studies explore the use of flame made NPs in processing Li+ conducting membranes. Systematic doping studies were conducted in the LiTi2(PO4)3 system to modify the lattice constant, conduction channel width, and sintering behavior by introducing Al3+ and Si4+ dopants. Excess Li2O content was also adjusted to observe its effect on final microstructures and phase compositions. Improved densification rates were found in Li1.7 Al0.3Ti1.7Si0.4P2.6O 12 composition and thin films (52+/-1 microm) with conductivities of 0.3-0.5 mS cm-1 were achieved. Li6.25M0.25La3Zr2O12 (M = Al3+, Ga3+) thin films (25-28 microm) with conductivities of 0.2-1.3 mS cm-1 were also successfully processed using flame made NPs, overcoming processing challenges extant, resulting in significantly reduced energy input required for densification. Heating schedules, sintering atmospheres, and types of substrates were controlled to observe their effect on the sintering behavior. Furthermore, green film thicknesses were found to be a crucial variable determining the final microstructures and phase compositions due to the varying Li2O loss rates with change in thicknesses (surface/volume ratios). Using fully decomposed NP mixtures (Li2CO3/off-stoichiometric La2Zr2O 7), as obtained by LF-FSP, provides an ideal approach to use high surface/reaction energy and liquid phase sintering to drive densification.

Electronic structure and bonding interactions in Ba1- x Sr x Zr0.1Ti0.9O3 ceramics

NASA Astrophysics Data System (ADS)

Mangaiyarkkarasi, Jegannathan; Sasikumar, Subramanian; Saravanan, Olai Vasu; Saravanan, Ramachandran

2017-06-01

An investigation on the precise electronic structure and bonding interactions has been carried out on Ba1- x Sr x Zr0.1Ti0.9O3 (short for BSZT, x = 0, 0.05, 0.07 and 0.14) ceramic systems prepared via high-temperature solid state reaction technique. The influence of Sr doping on the BSZT structure has been examined by characterizing the prepared samples using PXRD, UV-visible spectrophotometry, SEM and EDS. Powder profile refinement of X-ray data confirms that all the synthesized samples have been crystallized in cubic perovskite structure with single phase. Charge density distribution of the BSZT systems has been completely analyzed by the maximum entropy method (MEM). Co-substitution of Sr at the Ba site and Zr at the Ti site into the BaTiO3 structure presents the ionic nature between Ba and O ions and the covalent nature between Ti and O ions, revealed from MEM calculations. Optical band gap values have been evaluated from UV-visible absorption spectra. Particles with irregular shapes and well defined grain boundaries are clearly visualized from SEM images. The phase purity of the prepared samples is further confirmed by EDS qualitative spectral analysis.

Non-trivial behavior of the low temperature maximum of dielectric constant and location of the end critical point in Na0.5Bi0.5TiO3-0.06BaTiO3 lead free relaxor ferroelectrics crystals detected by acoustic emission

NASA Astrophysics Data System (ADS)

Dul'kin, Evgeniy; Tiagunova, Jenia; Mojaev, Evgeny; Roth, Michael

2018-01-01

[001] lead free relaxor ferroelectrics crystals of Na0.5Bi0.5TiO3-0.06BaTiO3 were studied by means of dielectric and acoustic emission methods in the temperature range of 25-240 °C and under a dc bias electric field up to 0.4 kV/cm. A temperature maximum of the dielectric constant was found near 170 °C, as well as the acoustic emission bursts pointed out to both the depolarization temperature near 120 °C and the temperature, corresponding to the maximum of dielectric constant, near 170 °C. While the depolarization temperature increased linearly, the temperature of the dielectric constant maximum was shown to exhibit a V-shape behavior under an electric field: it initially decreases, reaches a sharp minimum at some small threshold electric field of 0.15 kV/cm, and then starts to increase similar to the Curie temperature of the normal ferroelectrics, as the field enhances. Acoustic emission bursts, accompanying the depolarization temperature, weakened with the enhancing field, whereas the ones accompanying the temperature of the dielectric constant maximum exhibited two maxima: near 0.1 kV/cm and near 0.3 kV/cm. The meaning of these two acoustic emission maxima is discussed.

Optical Amplification in 45 Deg - cut BaTiO3

DTIC Science & Technology

1989-12-01

Major Steve Rogers for his help, guidaiice. and inspirational teaching ability. Without his interest and support of research iII the electro-optics field...and most of the equipment used for experimentation. The extensive knowledge atid experience he shared with me was as invaluable as his tremendous...members of the DIME lab for sharing their experience, equipment, and engineering knowledge . I would especially like to thanik Bob Cody, Dave

Design and Development of Novel Hierarchically Ordered Block Copolymer-Magnetoelectric Particle Nanocomposites

DTIC Science & Technology

2012-06-08

microscopy (JEOL 1200EX STEM). The volume fraction of BaTiO3 nanoparticles in the PS-BTO nanocomposites was determined by thermogravimetric analysis ...encapsulated in the 9.8±0.4-nm NP was approximately only 13.8% based on the thermogravimetric analysis (TGA) measurement (Supporting Material Section...the properties of the constituents and their spatial arrangement. Nanocomposites of polymer/ nanoparticle , formed by incorporating nanoparticles into

Ferroelectric properties of composites containing BaTiO 3 nanoparticles of various sizes

NASA Astrophysics Data System (ADS)

Adam, Jens; Lehnert, Tobias; Klein, Gabi; McMeeking, Robert M.

2014-01-01

Size effects, including the occurrence of superparaelectric phases associated with small scale, are a significant research topic for ferroelectrics. Relevant phenomena have been explored in detail, e.g. for homogeneous, thin ferroelectric films, but the related effects associated with nanoparticles are usually only inferred from their structural properties. In contrast, this paper describes all the steps and concepts necessary for the direct characterization and quantitative assessment of the ferroelectric properties of as-synthesized and as-received nanoparticles. The method adopted uses electrical polarization measurements on polymer matrix composites containing ferroelectric nanoparticles. It is applied to ten different BaTiO3 particle types covering a size range from 10 nm to 0.8 μm. The influence of variations of particle characteristics such as tetragonality and dielectric constant is considered based on measurements of these properties. For composites containing different particle types a clearly differing polarization behaviour is found. For decreasing particle size, increasing electric field is required to achieve a given level of polarization. The size dependence of a measure related to the coercive field revealed by this work is qualitatively in line with the state of the knowledge for ferroelectrics having small dimensions. For the first time, such results and size effects are described based on data from experiments on collections of actual nanoparticles.

The Photorefractive Effect and its Application in Optical Computing

NASA Astrophysics Data System (ADS)

Li, Guo

This Ph.D dissertation includes the fanning effect and the temperature dependence of the diffraction efficiency and response time using different addressing configurations, and evaluation of the limitations and capacity of a holographic storage in BaTiO_3 crystals. Also, we designed a digital holographic optical disk and made an associate memory. The beam fanning effect in a BaTiO_3 crystal was investigated in detail. The effect depends on the crystal faces illuminated. In particular, for the +c face of illumination we found that the fanning effect strongly depends on angle of incidence, polarization and wavelength of the incident light, crystal temperature, laser beam profile, but only weakly depends on input laser power. In the case of the -c face and a-face illumination dependence of the ring angle on wavelength and input power was observed. We found that the intensity of the reflected beam in NDFWM, the intensity of self phase conjugate beam and the response time of the fanning effect decrease with temperature exponentially and there being a major change around 60 ^circ-80^circ C. A random bistability and oscillation of the SPPC occur around 80^circC. We also present a theoretical analysis for the dependence of the photorefractive effect on temperature. We experimentally evaluate the capacity and limitation of optical storage in BaTiO_3 crystals using self-pumped phase conjugation (SPPC) and two-wave mixing. The storage capacity is different with different face of illumination, polarization, beam profile and input power. We demonstrate that using two wave mixing, three dimensional volume holograms can be stored. The information -bearing beam diameter for storage and recall can be about 0.25mm or less. By these techniques we demonstrate that at least 10^5 holograms can be stored in a 3.5 inch photorefractive disk. We evaluate an optimal optical architecture for exploiting the photorefractive effect for digital holographic disk storage. An image with many pixels was used for this experimental evaluation. By using a raytracing program, we traced a beam with a Gaussian profile through our optical system. We also estimated the Seidel aberration of our optical system in order to determine the quality of the stored digital data.

Some Aspects of the Failure Mechanisms in BaTiO3-Based Multilayer Ceramic Capacitors

NASA Technical Reports Server (NTRS)

Liu, David Donhang; Sampson, Michael J.

2012-01-01

The objective of this presentation is to gain insight into possible failure mechanisms in BaTiO3-based ceramic capacitors that may be associated with the reliability degradation that accompanies a reduction in dielectric thickness, as reported by Intel Corporation in 2010. The volumetric efficiency (microF/cm3) of a multilayer ceramic capacitor (MLCC) has been shown to not increase limitlessly due to the grain size effect on the dielectric constant of ferroelectric ceramic BaTiO3 material. The reliability of an MLCC has been discussed with respect to its structure. The MLCCs with higher numbers of dielectric layers will pose more challenges for the reliability of dielectric material, which is the case for most base-metal-electrode (BME) capacitors. A number of MLCCs manufactured using both precious-metal-electrode (PME) and BME technology, with 25 V rating and various chip sizes and capacitances, were tested at accelerated stress levels. Most of these MLCCs had a failure behavior with two mixed failure modes: the well-known rapid dielectric wearout, and so-called 'early failures." The two failure modes can be distinguished when the testing data were presented and normalized at use-level using a 2-parameter Weibull plot. The early failures had a slope parameter of Beta >1, indicating that the early failures are not infant mortalities. Early failures are triggered due to external electrical overstress and become dominant as dielectric layer thickness decreases, accompanied by a dramatic reduction in reliability. This indicates that early failures are the main cause of the reliability degradation in MLCCs as dielectric layer thickness decreases. All of the early failures are characterized by an avalanche-like breakdown leakage current. The failures have been attributed to the extrinsic minor construction defects introduced during fabrication of the capacitors. A reliability model including dielectric thickness and extrinsic defect feature size is proposed in this presentation. The model can be used to explain the Intel-reported reliability degradation in MLCCs with respect to the reduction of dielectric thickness. It can also be used to estimate the reliability of a MLCC based on its construction and microstructure parameters such as dielectric thickness, average grain size, and number of dielectric layers. Measures for preventing early failures are also discussed in this document.

Origin of giant dielectric permittivity and weak ferromagnetic behavior in (1-x)LaFeO3-xBaTiO3 (0.0 ≤ x ≤ 0.25) solid solutions

NASA Astrophysics Data System (ADS)

Sreenivasu, T.; Tirupathi, P.; Prabahar, K.; Suryanarayana, B.; Chandra Mouli, K.

The solid solutions of (1-x) LaFeO3-xBaTiO3 (0.0≤x≤0.25) have been synthesized successfully by the conventional solid-state reaction method. Room temperature (RT) X-ray diffraction studies reveal the stabilization of orthorhombic phase with Pbnm space group. Complete solubility in the perovskite series was demonstrated up to x=0.25. The dielectric permittivity shows colossal dielectric constant (CDC) at RT. The doping of BaTiO3 in LaFeO3 exhibit pronounced CDC up to a composition x=0.15, further it starts to decrease. The frequency-dependent dielectric loss exhibits polaronic conduction, which can attribute to presence of multiple valence of iron. The relaxation frequency and polaronic conduction mechanism was shifted towards RT as function of x. Moreover, large magnetic moment with weak ferromagnetic behavior is observed in doped LaFeO3 solid solution, which might be the destruction of spin cycloid structure due to insertion of Ti in Fe-O-Fe network of LaFeO3.

Barium Titanate Photonic Crystal Electro-Optic Modulators for Telecommunication and Data Network Applications

NASA Astrophysics Data System (ADS)

Girouard, Peter D.

The microwave, optical, and electro-optic properties of epitaxial barium titanate thin films grown on (100) MgO substrates and photonic crystal electro-optic modulators fabricated on these films were investigated to demonstrate the applicability of these devices for telecommunication and data networks. The electrical and electro-optical properties were characterized up to modulation frequencies of 50 GHz, and the optical properties of photonic crystal waveguides were determined for wavelengths spanning the optical C band between 1500 and 1580 nm. Microwave scattering parameters were measured on coplanar stripline devices with electrode gap spacings between 5 and 12 mum on barium titanate films with thicknesses between 230 and 680 nm. The microwave index and device characteristic impedance were obtained from the measurements. Larger (lower) microwave indices (impedances) were obtained for devices with narrower electrode gap spacings and on thicker films. Thinner film devices have both lower index mismatch between the co-propagating microwave and optical signals and lower impedance mismatch to a 50O system, resulting in a larger predicted electro-optical 3 dB bandwidth. This was experimentally verified with electro-optical frequency response measurements. These observations were applied to demonstrate a record high 28 GHz electro-optic bandwidth measured for a BaTiO3 conventional ridge waveguide modulator having 1mm long electrodes and 12 mum gap spacing on a 260nm thick film. The half-wave voltage and electro-optic coefficients of barium titanate modulators were measured for films having thicknesses between 260 and 500 nm. The half-wave voltage was directly measured at low frequencies using a polarizer-sample-compensator-analyzer setup by over-driving waveguide integrated modulators beyond their linear response regime. Effective in-device electro-optic coefficients were obtained from the measured half-wave voltages. The effective electro-optic coefficients were found to increase with both applied electrical dc bias and with film thickness. A record low 0.39V ˙ cm (0.45V ˙ cm) voltage-length product was measured for barium titanate modulators operating at telecommunication wavelengths on a device with 5 ?m electrode gap spacing on a 500nm thick film modulated at a frequency of 100 Hz (1 MHz). This measured voltage-length product is more than a factor of 5 lower than that reported for state-of-the-art silicon conventional waveguide modulators. The electro-optical characterization of BaTiO3 films revealed a trade-off that exists for traveling wave BaTiO3 modulators: lower voltages are obtained in thicker film devices with narrow electrode gap spacing while larger bandwidths are obtained in thinner film devices with wider electrode gap spacing. These findings were supported by calculations of the film thickness dependent half-wave voltage and electro-optic bandwidth. In order to demonstrate modulators having simultaneously low voltage operation and high electro-optic bandwidth, photonic crystal waveguide modulators with large group index were investigated through theory and experiment. The theory for slow light phase delay in linear optical materials was extended for second order nonlinear optical materials. This theory was incorporated into a detailed model for predicting photonic crystal modulator performance in terms of voltage-length product and electro-optic bandwidth. Modeling shows that barium titanate photonic crystal modulators with sub-millimeter length, sub-volt operation, and greater than 40 GHz electro-optic bandwidth are achievable in a single device. Two types of photonic crystal waveguides (PC) on BaTiO3 films were designed, fabricated, and characterized: waveguides with hexagonal lattice symmetry and waveguides with hexagonal symmetry having a line defect oriented in the direction of light propagation. Excellent agreement was obtained between the simulated and measured transmission for hexagonal lattice PC waveguides. An extinction of 20 dB was measured across a 9.9 nm stop band edge, yielding a record large band edge sharpness of 2 dB/nm for all photonic crystal waveguides on ferroelectric films. A 12-fold enhancement of the electro-optic coefficient was measured via optical spectral analysis in a line defect BaTiO3 modulator, yielding an effective electro-optic coefficient of 900 pm/V in the photonic crystal region at a modulation frequency of 10 GHz. This enhancement was demonstrated over a 48 nm range, demonstrating the wideband operation of these devices.

Texture and anisotropy in the bismuth sodium titanate system

NASA Astrophysics Data System (ADS)

Fancher, Christoher M.

Bi0.5Na0.5TiO3 has received interest as a potential replacement for lead containing ferroelectrics. However, the piezoelectric response of pure Bi0.5Na0.5TiO 3 does not compare to the strong piezoelectric response of lead based piezoelectrics. To increase the piezoelectric response, Bi0.5Na 0.5TiO3 has been alloyed with BaTiO3 and K 0.5Na0.5NbO3. Another route to enhance the response is to take advantage of the anisotropic properties by inducing a preferred crystallographic orientation. Both routes were used to investigate the effect a crystallographic texture has on the strain response of Bi0.5Na 0.5TiO3-based ceramics. A crystallographic texture was induced by templated grain growth of pure phase Bi0.5Na0.5TiO3 templates using the tape casting method to orient template particles relative to the tape cast normal. Sintered Bi0.5Na0.5TiO3-based materials developed a strong (00l)pc fiber texture relative to the tape cast normal, with no preferential alignment relative to the tape cast plane. Textured Bi0.5Na0.5TiO3-(5)BaTiO3 showed a piezoelectric response of 245 pC/N, a better than 50% enhancement from the 150 pC/N response of randomly oriented samples. The Bi0.5Na0.5TiO3-(5)BaTiO3-(2)K 0.5Na0.5NbO3 (x,y) system has been shown to undergo electric-field-induced phase transformation from a pseudocubic to polar phase. For (7,2) a strong 8.7 multiples of a random distribution (MRD) crystallographic texture increased the macroscopic strain response by 50%. Applying the electric field perpendicular to the fiber texture axis reduces the macroscopic strain response of textured (7,2) by 17%. The affect field direction has on the electric-field-induced phase transformations of textured (7,2) was investigated using in situ electric field dependent diffraction. In situ diffraction data showed the high strain response of textured (7,2) can be attributed to a reversible pseudocubic to tetragonal transformation. The field-induced tetragonal phase nucleates preferentially with a strong c-axis alignment in the electric field direction, ferroelastic domain texture. In situ diffraction data suggests the origin of the reduction in strain associated with a field applied perpendicular to the fiber texture axis is the result of a shorter induced lattice spacing and lower domain texture.

High calcination of ferroelectric BaTiO₃ doped Fe nanoceramics prepared by a solid-state sintering method.

PubMed

Samuvel, K; Ramachandran, K

2015-07-05

This study examined the effects of the combination of starting materials on the properties of solid-state reacted BaTiO3 using two different types of BaCO3 and TiO2. In addition, the effect of mechanochemical activation by high energy milling and the Ba/Ti molar ratio on the reaction temperature, particle size and tetragonality were investigated. The TiO2 phase and size plays a major role in increasing the reaction temperature and particle size. With the optimum selection of starting materials and processing conditions, BaTiO3 with a particle size <200 nm (Scherrer's formula) and a tetragonality c/a of approximately 1.007 was obtained. Broadband dielectric spectroscopy is applied to investigate the electrical properties of disordered perovskite-like ceramics in a wide temperature range. From the X-ray diffraction analysis it was found that the newly obtained BaTi0.5Fe0.5O3 ceramics consist of two chemically different phases. The electric modulus M∗ formalism used in the analysis enabled us to distinguish and separate the relaxation processes, dominated by marked conductivity in the ε∗(ω) representation. Interfacial effects on the dielectric properties of the samples have been understood by Cole-Cole plots in complex impedance and modulus formalism. Modulus formalism has identified the effects of both grain and grain boundary microstructure on the dielectric properties, particularly in solid state routed samples. Copyright © 2015 Elsevier B.V. All rights reserved.

Ab initio study of cross-interface electron-phonon couplings in FeSe thin films on SrTiO 3 and BaTiO 3

DOE PAGES

Wang, Y.; Linscheid, A.; Berlijn, T.; ...

2016-04-22

We study the electron-phonon coupling strength near the interface of monolayer and bilayer FeSe thin films on SrTiO 3 , BaTiO 3 , and oxygen-vacant SrTiO 3 substrates, using ab initio methods. The calculated total electron-phonon coupling strength λ = 0.2 – 0.3 cannot account for the high T c ~ 70 K observed in these systems through the conventional phonon-mediated pairing mechanism. In all of these systems, however, we find that the coupling constant of a polar oxygen branch peaks at q = 0 with negligible coupling elsewhere, while the energy of this mode coincides with the offset energymore » of the replica bands measured recently by angle-resolved photoemission spectroscopy experiments. However, the integrated coupling strength for this mode from our current calculations is still too small to produce the observed high T c , even through the more efficient pairing mechanism provided by the forward scattering. Also, we arrive at the same qualitative conclusion when considering a checkerboard antiferromagnetic configuration in the Fe layer. In light of the experimental observations of the replica band feature and the relatively high T c of FeSe monolayers on polar substrates, our results point towards a cooperative role for the electron-phonon interaction, where the cross-interface interaction acts in conjunction with a purely electronic interaction. Finally, we discuss a few scenarios where the coupling strength obtained here may be enhanced.« less

Le premier relaxeur ferroélectrique oxyfluoré

NASA Astrophysics Data System (ADS)

Ravez, J.; Simon, A.

1997-02-01

Une étude diélectrique fine du système BaTiO3-BaLiF3 a montré que les céramiques de composition Ba(Ti1 - xLix)O3 - 3xF3x présentent deux comportements différents: l'un de type ferroélectrique classique pour (0 ≤ x 0,04), l'autre de type relaxeur ferroélectrique pour (0,04 <>x<> 0,15). Ces derniers matériaux constituent les premiers relaxeurs ferroélectriques oxyfluorés et comportent les caractéristiques diélectriques typiques correspondantes: transition de phase diffuse, dispersion en fréquence, croissance de Tm (température du maximum de 'r) avec la fréquence, écart à la loi de Curie-Weiss, etc. C'est l'occupation des mêmes sites cristallographiques par des cations (Ti4+, Li+) et anions (O2 - , F - ) hétérovalents qui est à l'origine de telles propriétés. A fine dielectric study of the BaTiO3-BaLiF3 system has shown that ceramics with composition Ba(Ti1 - xLix)O3 - 3xF3x present two different behaviours: a classical ferroelectric one for (0 ≤ x 0.04), a ferroelectric relaxor one for (0.04 x 0.15). Such materials constitute the first oxyfluoride ferroelectric relaxors with corresponding typical dielectric characteristics: diffuse phase transition, frequency dispersion, increase of Tm (temperature of the maximum of 'r) with frequency, deviation from the Curie-Weiss law. The occupation of the same crystallographic sites by heterovalent cations (Ti4+, Li+) and anions (O2 - , F - ) is the cause of such properties.

Real-Time Fourier Transformed Holographic Associative Memory With Photorefractive Material

NASA Astrophysics Data System (ADS)

Changsuk, Oh; Hankyu, Park

1989-02-01

We describe a volume holographic associative memory using photorefractive material and conventional planar mirror. Multiple hologram is generated with two angular multiplexed writing beams and Fourier transformed object beam in BaTiO3 crystal at 0.6328 μm. Complete image can be recalled successfully by partial input of original stored image. It is proved that our system is useful for optical implementation of real-time associative memory and location addressable memory.

Active Structural Fibers for Multifunctional Composite Materials

DTIC Science & Technology

2014-05-06

capacitors. Lastly, a cathodic electrolytic deposition process has been investigated for the coating of carbon fibers with a PZT shell. The...results have demonstrated the ability to use the process to coat fibers with a thin shell of PZT . The results thus far have demonstrated the feasibility...Journal of Composite Materials, In Review. 2. Zhou, Z., Lin, Y. and Sodano, H.A., Synthesis and Characterization of Textured BaTiO3 Thin Films

Bottom-up multiferroic nanostructures

NASA Astrophysics Data System (ADS)

Ren, Shenqiang

Multiferroic and especially magnetoelectric (ME) nanocomposites have received extensive attention due to their potential applications in spintronics, information storage and logic devices. The extrinsic ME coupling in composites is strain mediated via the interface between the piezoelectric and magnetostrictive components. However, the design and synthesis of controlled nanostructures with engineering enhanced coupling remain a significant challenge. The purpose of this thesis is to create nanostructures with very large interface densities and unique connectivities of the two phases in a controlled manner. Using inorganic solid state phase transformations and organic block copolymer self assembly methodologies, we present novel self assembly "bottom-up" techniques as a general protocol for the nanofabrication of multifunctional devices. First, Lead-Zirconium-Titanate/Nickel-Ferrite (PZT/NFO) vertical multilamellar nanostructures have been produced by crystallizing and decomposing a gel in a magnetic field below the Curie temperature of NFO. The ensuing microstructure is nanoscopically periodic and anisotropic. The wavelength of the PZT/NFO alternation, 25 nm, agrees within a factor of two with the theoretically estimated value. The macroscopic ferromagnetic and magnetoelectric responses correspond qualitatively and semi-quantitatively to the features of the nanostructure. The maximum of the field dependent magnetoelectric susceptibility equals 1.8 V/cm Oe. Second, a magnetoelectric composite with controlled nanostructures is synthesized using co-assembly of two inorganic precursors with a block copolymer. This solution processed material consists of hexagonally arranged ferromagnetic cobalt ferrite (CFO) nano-cylinders within a matrix of ferroelectric Lead-Zirconium-Titanate (PZT). The initial magnetic permeability of the self-assembled CFO/PZT nanocomposite changes by a factor of 5 through the application of 2.5 V. This work may have significant impact on the development of novel memory or logic devices through self assembly techniques. It also demonstrates a universal two-phase hard template application. Last, solid-state self assembly had been used recently to form pseudoperiodic chessboard-like nanoscale morphologies in a series of chemically homogeneous complex oxide systems. We improved on this approach by synthesizing a spontaneously phase separated nanolamellar BaTiO3-CoFe2O4 bi-crystal. The superlattice is magnetoelectric with a frequency dependent coupling. The BaTiO3 component is a ferroelectric relaxor with a Vogel-Fulcher temperature of 311 K. Since the material can be produced by standard ceramic processing methods, the discovery represents great potential for magnetoelectric devices.

Preparation and Characterization of BaTiO3-PbZrTiO3 Coating for Pyroelectric Energy Harvesting

NASA Astrophysics Data System (ADS)

Raghavendra, R. M.; Praneeth, K. P. S. S.; Dutta, Soma

2017-01-01

Harvesting energy from waste heat is a promising field of research as there are significant energy recovery opportunities from various waste thermal energy sources. The present study reports pyroelectric energy harvesting using thick film prepared from a (x)BaTiO3-(1 - x)PbZr0.52Ti0.48O3 (BT-PZT) solid solution. The developed BT-PZT system is engineered to tune the ferro to paraelectric phase transition temperature of it in-between the phase transition temperature of BaTiO3 (393 K) and PbZrTiO3 (573 K) with higher pyroelectric figure-of-merit (FOM). The temperature-dependent dielectric behavior of the material has revealed the ferro- to paraelectric phase transition at 427 K with a maximum dielectric constant of 755. The room-temperature (298 K) pyroelectric coefficient (Pi) of the material was obtained as 738.63 μC/m2K which has yielded a significantly high FOM of 1745.8 J m-3 K-2. The enhancement in pyroelectric property is attributed to the morphotopic phase transition between tetragonal and rhombohedral PZT phases in the BT-PZT system. The developed BT-PZT system is capable of generating a power output of 1.3 mW/m2 near the Curie temperature with a constant rate (0.11 K/s) of heating. A signal conditioning circuit has been developed to rectify the time-varying current and voltage signals obtained from the harvester during heating cycles. The output voltage generated by the pyroelectric harvester has been stored in a capacitor for powering wearable electronics.

A comparative study of a (0-3) connectivity type composite and core-shell structure of CoFe2O4 - BaTiO3 based on microstructure and magnetic property

NASA Astrophysics Data System (ADS)

Das, Avisek; Gorige, Venkataiah

2018-04-01

In this work CoFe2O4 (CFO)-BaTiO3 (BTO) composite and core-shell CFO-BTO have been prepared to investigate the effect of microstructure on the magnetic properties. Detailed microstructure analysis has been carried out using X-ray diffraction, field emission scanning electron microscope and transmission electron microscope. Although uniform distribution of CFO is found in BTO matrix for the composite sample, magnetization and coercivity values are more enhanced in core-shell CFO-BTO.

Microstructure, mixing rules and interfacial behavior in high k barium titanate epoxy composite

NASA Astrophysics Data System (ADS)

Shi, Yitong (Thomas)

2001-07-01

In this thesis, we have demonstrated the importance of two issues in BaTiO3/epoxy composites. They are (1) the miscibility of a particle blend in organic vehicle, i.e. the capability of particles with different particle sizes to mix at the particle level, and (2) the ceramic/polymer interface as a role in determining the effective dielectric constant. The epoxy matrix between the BaTiO3 particles is not homogeneous and has to be modeled as a two-layer structure. The inhomogeneity causes not only failure of the existing mixing rules but also the particle size dependence of the effective dielectric constant. Since the interfacial behavior is determined by the materials chemistry, the effective dielectric properties experimentally demonstrate strong dependence on the materials selection and processing. If BaTiO3 particles in liquid epoxy resin has a bimodal particle size distribution, the smaller particles do not experimentally fit into the interstitial spaces between the larger spheres in an organic vehicle. ESEM observations indicated that the large particles separated from the small ones. Depending on the paste formula, the particle separation led to either a layer-like or cluster-like microstructure. The mixing free energy of blending smaller particles with larger particles explains the observed phenomena and suggests general criteria for particle miscibility. Whenever the mixing free energy is negative and the mixing free energy curve is convex, the particle blend remains in a random particle distribution. Otherwise, the particles separate into a larger-particle rich "phase" and a smaller-particle rich "phase". A random particle distribution may be the largest degree of mixing we can achieve in an organic vehicle. If there is no specific interaction between the small particles and the large particles, there is no thermodynamic driving force for small particles to fill preferentially into the interstitial spaces between the large spheres. The Hamaker constant H significantly influences the miscibility of a particle blend. An increase in Hamaker constant H causes not only greater driving force for a particle blend to separate but also a more narrowed convex shape---the mixing window. At a specific composition, a particle blend separates in one vehicle but may remain in a random distribution in another vehicle if the later vehicle has significantly reduced the Hamaker constant H.

The first-principle study of the electronic, optical and thermoelectric properties of XTiO3 (X = Ca, Sr and Ba) compounds

NASA Astrophysics Data System (ADS)

Mubarak, A. A.

2016-07-01

The FP-LAPW method is utilized to investigate the elastic, optoelectronic and thermoelectric properties of XTiO3 (X = Ca, Sr and Ba) within the GGA. The calculated lattice constants and bulk modulus are found in agreement with previous studies. The present oxide-perovskite compounds are characterized as elastically stable and anisotropic. CaTiO3 and SrTiO3 are categorized as ductile compounds, whereas the BaTiO3 compound is in the critical region between ductile and brittle. The DOS and the band structure calculations reveal indirect (M-Γ) energy bandgap for the present compounds. The hydrostatic pressure increases the energy bandgap and the width of the valence band. The character of the band structure does not change due to this pressure. The optical parameters are calculated in different radiation regions. Beneficial optics applications are predicted as revealed from the optical spectra. The transport properties are applied as a function of the variable temperatures or carrier concentration. It is found that the compounds under study are classified as a p-type semiconductor. The majority charge carriers responsible for conduction in these calculated compounds are holes rather than electrons.

Morphology control of anisotropic BaTiO 3 and BaTiOF 4 using organic-inorganic interaction

NASA Astrophysics Data System (ADS)

Masuda, Yoshitake; Tanaka, Yuki; Gao, Yanfeng; Koumoto, Kunihito

2009-01-01

We proposed a novel concept for morphology control of barium titanate precursor to fabricate platy particles. Organic molecules play an essential role in the crystallization of BaTiOF 4 to synthesize multi-needle particles, polyhedron particles or platy particles in an aqueous solution. Precursors were successfully transformed to barium titanate single phase by annealing. Platy barium titanate precursor particles are expected for future multilayer ceramic capacitors.

Reliability Studies of Ceramic Capacitors.

DTIC Science & Technology

1983-07-01

increases. This case has been found to be a good approximation for single crystals with high chemical and structural purity. Shallow traps may arise as a...theory, this sudden increase may be otherwise explained. Single crystals of ZnS have been found to exhibit this vertical increase in the current...Smith and Rose observed SCLC behavior in CdS single crystals . Branwood and Tredgold 2 8 and Branwood et al. 2 9 measured BaTiO 3 single crystals and

Supercritical fluid technology of nanoparticle coating for new ceramic materials.

PubMed

Aymonier, Cyril; Elissalde, Catherine; Reveron, Helen; Weill, François; Maglione, Mario; Cansell, François

2005-06-01

This work highlights, for the first time, the coating of ferroelectric nanoparticles with a chemical fluid deposition process in supercritical fluids. BaTiO3 nanoparticles of about 50 nm are coated with a shell of a few nanometers of amorphous alumina and can be recovered as a dry powder for processing. The sintering of these core-shell nanoparticles gives access to a ceramic material with very interesting ferroelectric properties, in particular, dielectric losses below 1%.

X-ray line profile analysis of BaTiO3 thin film prepared by sol-gel deposition

NASA Astrophysics Data System (ADS)

Ooi, Zeen Vee; Saif, Ala'eddin A.; Wahab, Yufridin; Jamal, Zul Azhar Zahid

2017-04-01

Barium titanate (BaTiO3) thin film was prepared using sol-gel method and spun-coated on SiO2/Si substrate. The phase and crystallinity of the synthesized film were identified using X-ray diffractometer (XRD), which scanned at the range of 20° to 60°. The phase and lattice parameters of the fabricated film were extracted from the recorded XRD patterns using lattice geometry equations. The crystallite size and lattice strain were determined using X-ray line profile analysis (XLPA) with various approaches. The Scherrer equation was applied to the perovskite peaks of the film to explore the size contribution on the peak broadening. Meanwhile, the Williamson-Hall and size-strain plot (SSP) methods were used to review two main independent contributions, i.e. crystallite sizes and lattice strain, on the X-ray line broadening. From the analysis, it is found that Scherrer method gives smallest crystallite size value by ignoring the strain-induced broadening effect. On the other hand, Williamson-Hall and SSP graphs revealed the existence of the lattice strain within the film, which contributes to the broadening in the Bragg peak. The results that analyzed via both techniques show a linear trend with all data points fitted. However, result obtained from SSP method gives better settlement due to the best fit of the data.

Electrocaloric effect in BaTiO3 at all three ferroelectric transitions: Anisotropy and inverse caloric effects

NASA Astrophysics Data System (ADS)

Marathe, Madhura; Renggli, Damian; Sanlialp, Mehmet; Karabasov, Maksim O.; Shvartsman, Vladimir V.; Lupascu, Doru C.; Grünebohm, Anna; Ederer, Claude

2017-07-01

We study the electrocaloric (EC) effect in bulk BaTiO3 (BTO) using molecular dynamics simulations of a first principles-based effective Hamiltonian, combined with direct measurements of the adiabatic EC temperature change in BTO single crystals. We examine in particular the dependence of the EC effect on the direction of the applied electric field at all three ferroelectric transitions, and we show that the EC response is strongly anisotropic. Most strikingly, an inverse caloric effect, i.e., a temperature increase under field removal, can be observed at both ferroelectric-ferroelectric transitions for certain orientations of the applied field. Using the generalized Clausius-Clapeyron equation, we show that the inverse effect occurs exactly for those cases where the field orientation favors the higher temperature/higher entropy phase. Our simulations show that temperature changes of around 1 K can, in principle, be obtained at the tetragonal-orthorhombic transition close to room temperature, even for small applied fields, provided that the applied field is strong enough to drive the system across the first-order transition line. Our direct EC measurements for BTO single crystals at the cubic-tetragonal and at the tetragonal-orthorhombic transitions are in good qualitative agreement with our theoretical predictions, and in particular confirm the occurrence of an inverse EC effect at the tetragonal-orthorhombic transition for electric fields applied along the [001] pseudocubic direction.

Garden-like perovskite superstructures with enhanced photocatalytic activity

NASA Astrophysics Data System (ADS)

Ye, Meidan; Wang, Mengye; Zheng, Dajiang; Zhang, Nan; Lin, Changjian; Lin, Zhiqun

2014-03-01

By subjecting amorphous flower-like TiO2 to a facile hydrothermal synthesis in the presence of Sr2+, garden-like perovskite SrTiO3 superstructures were achieved. The amorphous TiO2 was preformed using ZnO flowers as templates. Different three-dimensional SrTiO3 architectures were coexisted in the garden, including SrTiO3 flowers composed of several hollow sword-shaped petals, many sheet-shaped petals or numerous flake-shaped petals, and SrTiO3 grass consisting of a number of long blades. These SrTiO3 superstructures were simultaneously grown on fluorine-doped tin oxide (FTO) substrates. On the basis of a comprehensive study on the effects of growth time, temperature, initial concentrations of precursor, and pH, the formation of these various hierarchical architectures was attributed primarily to the dissolution of amorphous TiO2 and precipitation of perovskite crystals, followed by the Ostwald ripening process of perovskite nanocrystals and self-organization of perovskite building blocks. Interestingly, this approach can be readily extended to create other perovskite structures, including dendritic BaTiO3 and nest-like CaTiO3, as well as PbTiO3 transformed from plate-like pyrochlore Pb2Ti2O6 after post-thermal treatment. Garden-like SrTiO3 superstructures showed a superior photocatalytic performance when compared to other as-prepared semiconductors and perovskite materials (i.e., ZnO, TiO2, BaTiO3, CaTiO3 and PbTiO3), probably due to their intrinsic photocatalytic activity and special garden-like features with a coexistence of various structures that significantly facilitated the adsorption and diffusion of methyl blue (MB) molecules and oxygen species in the photochemical reaction of MB degradation.By subjecting amorphous flower-like TiO2 to a facile hydrothermal synthesis in the presence of Sr2+, garden-like perovskite SrTiO3 superstructures were achieved. The amorphous TiO2 was preformed using ZnO flowers as templates. Different three-dimensional SrTiO3 architectures were coexisted in the garden, including SrTiO3 flowers composed of several hollow sword-shaped petals, many sheet-shaped petals or numerous flake-shaped petals, and SrTiO3 grass consisting of a number of long blades. These SrTiO3 superstructures were simultaneously grown on fluorine-doped tin oxide (FTO) substrates. On the basis of a comprehensive study on the effects of growth time, temperature, initial concentrations of precursor, and pH, the formation of these various hierarchical architectures was attributed primarily to the dissolution of amorphous TiO2 and precipitation of perovskite crystals, followed by the Ostwald ripening process of perovskite nanocrystals and self-organization of perovskite building blocks. Interestingly, this approach can be readily extended to create other perovskite structures, including dendritic BaTiO3 and nest-like CaTiO3, as well as PbTiO3 transformed from plate-like pyrochlore Pb2Ti2O6 after post-thermal treatment. Garden-like SrTiO3 superstructures showed a superior photocatalytic performance when compared to other as-prepared semiconductors and perovskite materials (i.e., ZnO, TiO2, BaTiO3, CaTiO3 and PbTiO3), probably due to their intrinsic photocatalytic activity and special garden-like features with a coexistence of various structures that significantly facilitated the adsorption and diffusion of methyl blue (MB) molecules and oxygen species in the photochemical reaction of MB degradation. Electronic supplementary information (ESI) available: FESEM images and the XRD pattern of SrTiO3 films (effects of growth temperature, initial precursor concentration, and pH value), EDS analysis of ZnO, TiO2 and SrTiO3, the XRD pattern and PL spectra of PbTiO3, UV-vis spectra of different films, and UV photo-degradation of MB. See DOI: 10.1039/c3nr05564g

47,49Ti NMR: hyperfine interactions in oxides and metals.

PubMed

Bastow, T J; Gibson, M A; Forwood, C T

1998-10-01

A 47,49Ti NMR characterisation is given of various polymorphs of TiO2 (anatase, rutile and brookite), Ti2O3, perovskites CaTiO3 and BaTiO3, FeTiO3, TiB2, titanium metal, the titanium aluminides Ti3Al, TiAl, TiAl2, TiAl3, and TiAg. Values of chemical or Knight shift, nuclear quadrupole coupling constant and asymmetry parameter were derived from the (1/2, -1/2) powder lineshapes. For TiB2, titanium metal, TiAl, and TiAl3, where +/- (1/2, 3/2), and higher satellite transitions were observed, a value for the axial component of the Knight shift was obtained.

Criteria for selecting electrodes for electrical stimulation: theoretical and practical considerations.

PubMed

Brummer, S B; Robblee, L S; Hambrecht, F T

1983-01-01

Smaller, more charge-intensive electrodes are needed for "safe" stimulation of the nervous system. In this paper we review critical concepts and the state of the art in electrodes. Control of charge density and charge balance are essential to avoid tissue electrolysis. Chemical criteria for "safe" stimulation are reviewed ("safe" is equated with "chemically reversible"). An example of a safe, but generally impractical, charge-injection process is double-layer charging. The limit here is the onset of irreversible faradaic processes. More charge can be safely injected with so-called "capacitor" electrodes, such as porous intermixtures of Ta/Ta2O5. BaTiO3 has excellent dielectric properties and may provide a new generation of capacitor electrodes. Faradaic charge injection is usually partially irreversible since some of the products escape into the solution. With Pt, up to 400 muc/cm2 real area can be absorbed by faradaic reactions of surface-adsorbed species, but a small part is lost due to metal dissolution. The surface of "activated" Ir is covered with a multilayer hydrated oxide. Charge injection occurs via rapid valence change within this oxide. Little or no metal dissolution is observed, and gassing limits are not exceeded even under stringent conditions.

Structural transformations in (1 -x ) Na0.5Bi0.5TiO3-x BaTiO3 single crystals studied by Raman spectroscopy

NASA Astrophysics Data System (ADS)

de la Flor, G.; Malcherek, T.; Gorfman, S.; Mihailova, B.

2017-12-01

Hard-mode Raman spectroscopy was applied to analyze the temperature-induced transformation processes in perovskite-type (ABO3) single crystals of (1 -x ) Na0.5Bi0.5TiO3-x BaTiO3 (NBT-x BT ) in a wide temperature range between 100 and 1010 K and a composition range of x =0 -0.074 across the morphotropic phase boundary (MPB). The results show abundant uncoupled ferroic structural distortions even at 1010 K and coexistence of two types of mesoscopic-scale ferroic order at lower temperatures. Octahedral BO6 tilting is typical of pure NBT, while the incorporation of A-site Ba2 + suppresses the tilting and promotes the off centering of BO6 octahedra. The temperature evolution of the phonon modes clearly reveals the two macroscopically observed critical temperatures Tm and Td as well as, in the case of x ≠0 , two characteristic temperatures T' and T'' preceding the Tm and Td, respectively, which are attributed to mesoscopic-scale antiferroelectric and ferroelectric coupling processes within the A-site-cation subsystem. At x

Effect of dipolar fields, surface termination, and surface orientation on photochemical reactions on transition metal oxides

NASA Astrophysics Data System (ADS)

Giocondi, Jennifer Lynn

Experiments have been conducted to determine the effects of dipolar fields, surface termination, and surface orientation on the photochemical reactivity of several transition metal oxides. These compounds include BaTiO3, SrTiO3, BaTi4O9, Sr2Nb2O 7, and Sr2Ta2O7 which were studied as polycrystalline ceramics, single crystals, micron-sized faceted particles, or some combination of these forms. The reduction of Ag+ from an aqueous AgNO3 solution (Ag0 product) and the oxidation of Pb2+ from an aqueous lead acetate solution (PbO 2 product) were selected as probe reactions because they leave insoluble products on the oxide surfaces. The reactivity of ferroelectric BaTiO3 was dominated by the effect of dipolar fields on the transport of photogenerated charge carriers. Silver was reduced on domains with a positive surface charge while lead was oxidized on domains with a negative surface charge. This reactivity implies that the dipolar field in individual domains drives photogenerated charge carriers to oppositely charged surfaces. This reaction mechanism results in a physical separation of the photogenerated charge carriers and the locations of the oxidation and reduction half reactions on the catalyst surface. Experiments performed on polycrystalline ceramics, single crystals, and micron-sized particles all showed this domain specific reactivity. SrTiO3 has the ideal cubic perovskite structure from which the tetragonally distorted ferroelectric BaTiO3 phase is derived. Polished and annealed surfaces of randomly oriented grain surfaces were bound by some combination of the following three planes: {110}, {111}, and a complex facet inclined approximately 24° from {100}. Surfaces with the complex {100} facet were found to be the most active for Ag reduction. Single crystal studies also showed that the nonpolar (100) surface is the most reactive and that the composition of the termination layer does not influence this reaction. However, the polar (111) and (110) surfaces had a non-uniform distribution of reaction products. For these orientations, the location of the reduction and oxidation reactions is determined by the chemical and charge terminations of the different terraces or facets. The reactivity for silver reduction on the faceted particles is ranked as (100) > (111) > (110) while the (100) surface was least reactive for lead oxidation. Overall, these results show that the photochemical reactivity of SrTiO3 is anisotropic and that on polar surfaces, dipolar fields arising from charged surface domains influence the transport of photogenerated charge carriers and promote spatially selective oxidation and reduction reactions. (Abstract shortened by UMI.)

Neutron and x-ray scattering study of phonon dispersion and diffuse scattering in ( Na , Bi ) Ti O 3 - x BaTi O 3 single crystals near the morphotropic phase boundary

DOE PAGES

Luo, Chengtao; Bansal, Dipanshu; Li, Jiefang; ...

2017-11-10

Neutron and x-ray scattering measurements were performed on (Na 1/2Bi 1/2)TiO 3-x at % BaTiO 3 (NBT-xBT) single crystals (x = 4, 5, 6.5, and 7.5) across the morphotropic phase boundary (MPB), as a function of both composition and temperature, and probing both structural and dynamical aspects. In addition to the known diffuse scattering pattern near the gamma points, our measurements revealed new, faint superlattice peaks, as well as an extensive diffuse scattering network, revealing a short-range ordering of polar nanoregions (PNR) with a static stacking morphology. Furthermore, in samples with compositions closest to the MPB, our inelastic neutron scatteringmore » investigations of the phonon dynamics showed two unusual features in the acoustic phonon branches, between the superlattice points, and between the superlattice points and gamma points, respectively. Finally, these critical elements are not present in the other compositions away from the MPB, which suggests that these features may be related to the tilt modes coupling behavior near the MPB.« less

Neutron and x-ray scattering study of phonon dispersion and diffuse scattering in ( Na , Bi ) Ti O 3 - x BaTi O 3 single crystals near the morphotropic phase boundary

DOE Office of Scientific and Technical Information (OSTI.GOV)

Luo, Chengtao; Bansal, Dipanshu; Li, Jiefang

Neutron and x-ray scattering measurements were performed on (Na 1/2Bi 1/2)TiO 3-x at % BaTiO 3 (NBT-xBT) single crystals (x = 4, 5, 6.5, and 7.5) across the morphotropic phase boundary (MPB), as a function of both composition and temperature, and probing both structural and dynamical aspects. In addition to the known diffuse scattering pattern near the gamma points, our measurements revealed new, faint superlattice peaks, as well as an extensive diffuse scattering network, revealing a short-range ordering of polar nanoregions (PNR) with a static stacking morphology. Furthermore, in samples with compositions closest to the MPB, our inelastic neutron scatteringmore » investigations of the phonon dynamics showed two unusual features in the acoustic phonon branches, between the superlattice points, and between the superlattice points and gamma points, respectively. Finally, these critical elements are not present in the other compositions away from the MPB, which suggests that these features may be related to the tilt modes coupling behavior near the MPB.« less

Temporal Behavior of the Intensity-Dependent Absorption in Photorefractive BaTiO3

DTIC Science & Technology

1988-06-01

George Brost , and Jim Rotg6 JUL o 8 88 i’rinh I S", h’r i.seuu,:h .Labor(mfries, I S Air For, Acudeu\\. (olorudo (180840 0) Jin J. Kim (n ’r for If0gh / whu...Phys. 59, 3363 (1986). that these observations can be explained by a multi- 6. G. A. Brost . R. A. Motes, J. R. Rotg , and J1. J. Kim, in pie-trap model

Competition between structural instabilities in strained ABO3 nanostructures

NASA Astrophysics Data System (ADS)

Bousquet, E.

2010-03-01

In spite of their simple structure, the family of ABO3 compounds present a large variety of phase transitions involving polar and non polar distortions as well as magnetic orders. Here we will discuss the microscopic origin of these properties and how they are affected in nanostructures through the concept of structural instabilities. We will from the fact that the ferroelectric (FE) and the antiferrodistortive (AFD) instabilities are in competition at the bulk level and are strongly sensitive to pressure and strain. From these considerations we will describe the possibilities to tune this FE/AFD competition by playing with strain and interface engineering. To that end we will first consider the effect of epitaxial strain on BaTiO3, SrTiO3, PbTiO3 and CaTiO3 thin films. In all of these compounds, the epitaxial strain can strongly modify the phase diagrams giving rise to different pure or mixed FE/AFD ground states. We will also extend the discussion on magnetic perovskites like CaMnO3 and will present the different strategies to induce or tune multiferroic properties. Second we will focus on the interface effects as present in bicolor superlattices. As an example we will examine the case of PbTiO3/SrTiO3 superlattice and will show that it exhibits totally unique properties arising from unexpected FE/AFD couplings at the interface between the layers. We will then investigate to which extent similar types of FE/AFD couplings can be induced in other artificially layered systems. We will consider different bicolor superlattices obtained from the combination of PbTiO3, SrTiO3, CaTiO3 and BaTiO3 and discuss how the intrinsic tendency of these compounds to favor either the FE or the AFD instabilities shifts or even suppresses the FE/AFD coupling.

Growth and characterization of high-performance photorefractive BaTiO3 crystals

NASA Technical Reports Server (NTRS)

Warde, C.; Garrett, M. H.; Chang, J. Y.; Jenssen, H. P.; Tuller, H. L.

1991-01-01

Barium titanate has been used for many nonlinear optical applications primarily because it has high grain and high self-pumped phase conjugate reflectivities. However, barium titanate has had a relatively slow response time, and thus low sensitivity. Therefore, it has not been suited to real-time operations. In this report we will describe the modifications in crystal growth, doping, reduction, and poling that have produced barium titanate crystals with the fastest photorefractive response time reported to date, approximately 21 microseconds with a beam-coupling gain coefficient of 38.7 cm(exp -1) and the highest sensitivity reported to date of 3.44 cm(exp 3)/kJ. The sensitivity of these barium titanate crystals is comparable to or greater than other photorefractive oxides. We will show, for the first time, beam-coupling in barium titanate at video frame rates. We infer from response time measurements that barium titanate has a phonon limited mobility. Also, photorefractive response time measurements as a function of the crystallographic orientation and grating wave vector for our cobalt-doped oxygen reduced crystals indicate that their faster response time arise because of an increase in the free carrier lifetime.

Investigation of conduction and relaxation phenomena in BaZrxTi1-xO3 (x=0.05) by impedance spectroscopy

NASA Astrophysics Data System (ADS)

Mahajan, Sandeep; Haridas, Divya; Ali, S. T.; Munirathnam, N. R.; Sreenivas, K.; Thakur, O. P.; Prakash, Chandra

2014-10-01

In present study we have prepared ferroelectric BaZrxTi1-xO3 (x=0.05) ceramic by conventional solid state reaction route and studied its electrical properties as a function of temperature and frequency. X-ray diffraction (XRD) analysis shows single-phase formation of the compound with orthorhombic crystal structure at room temperature. Impedance and electric modulus spectroscopy analysis in the frequency range of 40 Hz-1 MHz at high temperature (200-600 °C) suggests two relaxation processes with different time constant are involved which are attributed to bulk and grain boundary effects. Frequency dependent dielectric plot at different temperature shows normal variation with frequency while dielectric loss (tanδ) peak was found to obey an Arrhenius law with activation energy of 1.02 eV. The frequency-dependent AC conductivity data were also analyzed in a wide temperature range. In present work we have studied the role of grain and grain boundaries on the electrical behaviour of Zr-doped BaTiO3 and their dependence on temperature and frequency by complex impedance and modulus spectroscopy (CIS) technique in a wide frequency (40 Hz-1 MHz) and high temperature range.

Ferroelectric hybrid fibers to develop flexible sensors for shape sensing of smart textiles and soft condensed matter bodies

NASA Astrophysics Data System (ADS)

Sebastian, Tutu; Lusiola, Tony; Clemens, Frank

2017-04-01

Piezoelectric fibers are widely used in composites for actuator and sensor applications due to its ability to convert electrical pulses into mechanical vibrations and transform the returned mechanical vibrations back into electrical signal. They are beneficial for the fabrication of composites especially 1-3 composites, active fiber composites (unidirectional axially aligned PZT fibers sandwiched between interdigitated electrodes and embedded in a polymer matrix) etc, with potential applications in medical imaging, structural health monitoring, energy harvesting, vibration and noise control. However, due to the brittle nature of PZT fibers, maximum strain is limited to 0.2% and cannot be integrated into flexible sensor applications. In this contribution, a new approach to develop flexible ferroelectric hybrid fibers for soft body shape sensing is investigated. Piezoelectric particles incorporated in a polymer matrix and extruded as fiber, 0-3 composite in fibrous form is studied. Commercially obtained calcined PZT and calcined BaTiO3 powders were used in the unsintered form to obtain flexible soft condensed matter ferroelectric hybrid fibers. The extruded fibers were subjected to investigation for their electromechanical behavior as a function of electric field. The hybrid fibers reached 10% of the maximum polarization of their sintered counterpart.

Dielectric Properties of Sol-Gel Derived Barium Strontium Titanate and Microwave Sintering of Ceramics

NASA Astrophysics Data System (ADS)

Selmi, Fathi A.

This thesis consists of two areas of research: (1) sol-gel processing of Ba_{rm 1-x}Sr_{rm x} TiO_3 ceramics and their dielectric properties measurement; and (2) microwave versus conventional sintering of ceramics such as Al_2 O_3, Ba_{ rm 1-x}Sr_{rm x}TiO_3, Sb-doped SnO _2 and YBa_2Cu _3O_7. Sol-gel powders of BaTiO_3, SrTiO_3, and their solid solutions were synthesized by the hydrolysis of titanium isopropoxide and Ba and Sr methoxyethoxides. The loss tangent and dielectric constant of both sol-gel and conventionally prepared and sintered Ba_{rm 1-x}Sr _{rm x}TiO _3 ceramics were investigated at high frequencies. The sol-gel prepared ceramics showed higher dielectric constant and lower loss compared to those prepared conventionally. Ba _{rm 1-x}Sr _{rm x}TiO_3 ceramics were tunable with applied bias, indicating the potential use of this material for phase shifter applications. Porous Ba_{0.65}Sr _{0.35}TiO_3 was also investigated to lower the dielectric constant. Microwave sintering of alpha -Al_2O_3 and SrTiO_3 was investigated using an ordinary kitchen microwave oven (2.45 GHz; 600 Watts). The use of microwaves with good insulation of alpha -Al_2O_3 and SrTiO_3 samples resulted in their rapid sintering with good final densities of 96 and 98% of the theoretical density, respectively. A comparison of grain size for conventionally and microwave sintered SrTiO_3 samples did not show a noticeable difference. However, the grain size of microwave sintered alpha-Al_2O _3 was found to be larger than that of conventionally sintered sample. These results show that rapid sintering of ceramics can be achieved by using microwave radiation. The sintering behavior of coprecipitated Sb-doped SnO_2 was investigated using microwave power absorption. With microwave power, samples were sintered at 1450^circC for 20 minutes and showed a density as high as 99.9% of theoretical. However, samples fired in a conventional electric furnace at the same temperature for 4 hours showed only 60% of theoretical density. Microwave sintering also led to improvement in terms of uniform structure and electrical properties. Ba_{0.65}Sr _{0.35}TiO_3 was sintered using the microwave power at 1300 ^circC for 10 minutes. A density of 99% was achieved with small and uniform grain size. Superconducting powders have been successfully prepared by the sol-gel process and sintered and annealed using microwave power. Sintering and densification was achieved in a shorter time with microwave heating than with conventional heating and microwave heating appears to result in refined microstructure.

The barium iron ruthenium oxide system

NASA Technical Reports Server (NTRS)

Kemmler-Sack, S.; Ehmann, A.

1986-01-01

In the system BaFe(1-x)Ru(x)O(3-y), three phases, separated by immiscibility gaps, are present: an Fe-rich phase (x = 0 to 0.75) with hexagonal BaTiO3 structure (6H; sequence (hcc)2), a Ru-rich phase (x = 0.9) of hexagonal 4H-type (sequence (hc)2), and the pure Ru compounds BaRuO3 with rhombohedral 9R structure (sequence (hhc)3). By vibrational spectroscopic investigations in the 6H phase a transition from n-type semiconduction (Fe-rich compounds with complete O lattice) can be detected. The 4H and 9R stacking polytypes are good, metal-like conductors. The lattice parameters are given.

Optical Properties and Microstructure of Barium Titanate Thin Film (BaTiO3) for Solar Cell Applications

NASA Astrophysics Data System (ADS)

Setyadi, A. U. L. S.; Iriani, Y.; Nurosyid, F.

2018-03-01

Barium Titanate thin films were prepared with variations in the number of layers and variation of the solution on a Quartz substrate using the sol-gel method with spin coating technique, at rotation speed 3000 rpm for 30 seconds. The first solution was made with heated and the second with stirred and heated. In this experiment, BaTiO3 were heated at 900°C for 2 hours. The characterization of optical properties was performed by UV-Vis spectrometer and microstructural characterization was performed by X-Ray Diffraction (XRD). Variation of layers number affects the intensity of the diffraction peaks. The more layers of the intensity are also greater. The variation of solution making process affects the intensity of diffraction peak. The process of making the solution with stirred and heated has greater intensity than the process of solution by simply heating it. When stirred at the same time heated to produce atoms diffuses more easily with other atoms so the bonds between atoms are more orderly and strong. The process of making the solution in the heated is larger in the crystallite size of than preparation of solution by stirred and heated. The stirred which the solution is produced influences the appearance of the size of the crystal. Variation number of layers influences the absorbance value of layer. The absorbance increases with increasing number of layers. The absorbance of the sample was made with heated the higher than with stirred and heated.

Adsorption mechanism of ester phosphate on baryum titanate in organic medium. Preliminary results on the structure of the adsorbed layer

NASA Astrophysics Data System (ADS)

Le Bars, N.; Tinet, D.; Faugère, A. M.; van Damme, H.; Levitz, P.

1991-05-01

The purpose of this work is to evidence the adsorption mechanism and the structure of commercial phosphate ester surfactant stabilized BaTiO3 in organic suspension, and to relate these characteristics to rheological behaviour. Binders and plasticizers are omitted to reduce the number of system components. Firstly adsorption isotherm were determined by inductively coupled argon plasma technique and interpretated based on transmission electron microscopy and ^{31}P nuclear magnetic resonance studies. Preliminary rheological measurements were then performed and related to suspension structure. Structure of the adsorption layer is critically discussed. L'objectif de cette étude est la compréhension du mécanisme d'adsorption d'agents dispersants phosphatés dans des suspensions organiques de BaTiO3, ainsi que la caractérisation de la structure, et du comportement rhéologique de ces suspensions. Liants et plastifiants ne sont pas utilisés, afin de réduire le nombre de composants dans le système. Dans un premier temps, l'isotherme d'adsorption est établie par dosage en émission plasma, puis interprétée sur la base de résultats de Microscopie Eloctronique à Transmission, et de spectroscopie par Résonance Magnétique Nucléaire du ^{31}P. Des mesures rhéologiques préliminaires sont effectuées pour caractériser la structure des suspensions.

Modeling and Implementation of HfO2-based Ferroelectric Tunnel Junctions

NASA Astrophysics Data System (ADS)

Pringle, Spencer Allen

HfO2-based ferroelectric tunnel junctions (FTJs) represent a unique opportunity as both a next-generation digital non-volatile memory and as synapse devices in braininspired logic systems, owing to their higher reliability compared to filamentary resistive random-access memory (ReRAM) and higher speed and lower power consumption compared to competing devices, including phase-change memory (PCM) and state-of-the-art FTJ. Ferroelectrics are often easier to deposit and have simpler material structure than films for magnetic tunnel junctions (MTJs). Ferroelectric HfO2 also enables complementary metal-oxide-semiconductor (CMOS) compatibility, since lead zirconate titanate (PZT) and BaTiO3-based FTJs often are not. No other groups have yet demonstrated a HfO2-based FTJ (to best of the author's knowledge) or applied it to a suitable system. For such devices to be useful, system designers require models based on both theoretical physical analysis and experimental results of fabricated devices in order to confidently design control systems. Both the CMOS circuitry and FTJs must then be designed in layout and fabricated on the same die. This work includes modeling of proposed device structures using a custom python script, which calculates theoretical potential barrier heights as a function of material properties and corresponding current densities (ranging from 8x103 to 3x10-2 A/cm 2 with RHRS/RLRS ranging from 5x105 to 6, depending on ferroelectric thickness). These equations were then combined with polynomial fits of experimental timing data and implemented in a Verilog-A behavioral analog model in Cadence Virtuoso. The author proposes tristate CMOS control systems, and circuits, for implementation of FTJ devices as digital memory and presents simulated performance. Finally, a process flow for fabrication of FTJ devices with CMOS is presented. This work has therefore enabled the fabrication of FTJ devices at RIT and the continued investigation of them as applied to any appropriate systems.

Hydrothermal synthesis of barium strontium titanate and bismuth titanate materials

NASA Astrophysics Data System (ADS)

Xu, Huiwen

Hydrothermal processing facilitates the synthesis of crystalline ceramic materials of varying composition or complex crystal structure. The present work can be divided into two parts. First is to study the low temperature hydrothermal synthesis of bismuth titanate. Second is to study both thermodynamic and kinetic aspects of the hydrothermally synthesized barium strontium titanate. A chelating agent was used to form a Bi-Ti gel precursor. By hydrothermally treating the Bi-Ti gel, crystalline bismuth titanate has been synthesized at 160°C for the first time. Microstructural evolution during the low temperature synthesis of bismuth titanate can be divided into two stages, including condensation of Bi-Ti gel particles and crystallization of bismuth titanate. Crystallization of bismuth titanate occurred by an in situ transformation mechanism at an early stage followed by a dissolution-reprecipitation mechanism. Phase separation was observed in hydrothermally synthesized barium strontium titanate (BST). By hydrothermally treating BST powders between 250°C--300°C, an asymmetrical miscibility gap was found in the BaTiO3-SrTiO 3 system at low temperatures (T ≤ 320°C). A subregular solid solution model was applied to calculate the equilibrium compositions and the Gibbs free energy of formation of BST solid solution at low temperatures (T ≤ 320°C). The Gibbs free energy of formation of Sr-rich BST phase is larger than that of Ba-rich BST phase. Kinetic studies of single phase BST solid solution at 80°C show that, compared to the BaTiO3 or Ba-rich BST, SrTiO3 and Sr-rich BST powders form at lower reaction rates.

Lead-free multilayer piezoelectric transformer.

PubMed

Guo, Mingsen; Jiang, X P; Lam, K H; Wang, S; Sun, C L; Chan, Helen L W; Zhao, X Z

2007-01-01

In this article, a multilayer piezoelectric transformer based on lead-free Mn-doped 0.94(Bi(12)Na(12))TiO(3)-0.06BaTiO(3) ceramics is presented. This piezoelectric transformer, with a multilayered construction in the thickness direction, is 8.3 mm long, 8.3 mm wide, and 2.3 mm thick. It operates in the second thickness extensional vibration mode. For a temperature rise of 20 degrees C, the transformer has an output power of >0.3 W. With a matching load resistance of 10 Omega, its maximum efficiency approaches 81.5%, and the maximum voltage gain is 0.14. It has potential to be used in low voltage power supply units such as low power adapter and other electronic circuits.

Why Sn doping significantly enhances the dielectric properties of Ba(Ti1-xSnx)O3

NASA Astrophysics Data System (ADS)

Shi, Tao; Xie, Lin; Gu, Lin; Zhu, Jing

2015-02-01

Through appropriate doping, the properties of BaTiO3-based ferroelectrics can be significantly enhanced. To determine the physical process induced by the doping of Sn atoms in Ba(Ti0.8Sn0.2)O3, we performed high-resolution scanning transmission electron microscopy experiments and observed that the regions with low Sn content formed polar nano regions (PNRs) embedded in the matrix in Ba(Ti0.8Sn0.2)O3. The interactions among Sn, Ti, Ba and O atoms were determined using first principles calculations. Based on the characteristics of the electronic structure and crystal lattice strain fields, the effects of doping with Sn were investigated. The Sn doping not only changed the electronic structure of the crystal but also increased the dielectric properties of the PNRs. Moreover, the Sn doping was also responsible for the diffuse phase transition of the Ba(Ti1-xSnx)O3 material. The effects mentioned in this paper are universal in lead-free ferroelectrics, and similar elements such as Sb, Mg, and Zr may have the same functions in other systems. Thus, these results provide guidance for the design of the doping process and new systems of ferroelectric or relaxor materials.

Why Sn doping significantly enhances the dielectric properties of Ba(Ti1-xSnx)O3

PubMed Central

Shi, Tao; Xie, Lin; Gu, Lin; Zhu, Jing

2015-01-01

Through appropriate doping, the properties of BaTiO3-based ferroelectrics can be significantly enhanced. To determine the physical process induced by the doping of Sn atoms in Ba(Ti0.8Sn0.2)O3, we performed high-resolution scanning transmission electron microscopy experiments and observed that the regions with low Sn content formed polar nano regions (PNRs) embedded in the matrix in Ba(Ti0.8Sn0.2)O3. The interactions among Sn, Ti, Ba and O atoms were determined using first principles calculations. Based on the characteristics of the electronic structure and crystal lattice strain fields, the effects of doping with Sn were investigated. The Sn doping not only changed the electronic structure of the crystal but also increased the dielectric properties of the PNRs. Moreover, the Sn doping was also responsible for the diffuse phase transition of the Ba(Ti1-xSnx)O3 material. The effects mentioned in this paper are universal in lead-free ferroelectrics, and similar elements such as Sb, Mg, and Zr may have the same functions in other systems. Thus, these results provide guidance for the design of the doping process and new systems of ferroelectric or relaxor materials. PMID:25721479

The possibility of giant dielectric materials for multilayer ceramic capacitors.

PubMed

Ishii, Tatsuya; Endo, Makoto; Masuda, Kenichiro; Ishida, Keisuke

2013-02-11

There have been numerous reports on discovery of giant dielectric permittivity materials called internal barrier layer capacitor in the recent years. We took particular note of one of such materials, i.e., BaTiO 3 with SiO 2 coating. It shows expressions of giant electric permittivity when processed by spark plasma sintering. So we evaluated various electrical characteristics of this material to find out whether it is applicable to multilayer ceramic capacitors. Our evaluation revealed that the isolated surface structure is the sole cause of expressions of giant dielectric permittivity.

Structural Secrets of Multiferroic Interfaces

NASA Astrophysics Data System (ADS)

Meyerheim, H. L.; Klimenta, F.; Ernst, A.; Mohseni, K.; Ostanin, S.; Fechner, M.; Parihar, S.; Maznichenko, I. V.; Mertig, I.; Kirschner, J.

2011-02-01

We present an experimental and theoretical study of the geometric structure of ultrathin BaTiO3 films grown on Fe(001). Surface x-ray diffraction reveals that the films are terminated by a BaO layer, while the TiO2 layer is next to the top Fe layer. Cations in termination layers have incomplete oxygen shells inducing strong vertical relaxations. Onset of polarization is observed at a minimum thickness of two unit cells. Our findings are supported by first-principles calculations providing a quantitative insight into the multiferroic properties on the atomic scale.

Mesoscopic Free Path of Nonthermalized Photogenerated Carriers in a Ferroelectric Insulator.

PubMed

Gu, Zongquan; Imbrenda, Dominic; Bennett-Jackson, Andrew L; Falmbigl, Matthias; Podpirka, Adrian; Parker, Thomas C; Shreiber, Daniel; Ivill, Mathew P; Fridkin, Vladimir M; Spanier, Jonathan E

2017-03-03

We show how finite-size scaling of a bulk photovoltaic effect-generated electric field in epitaxial ferroelectric insulating BaTiO_{3}(001) films and a photo-Hall response involving the bulk photovoltaic current reveal a large room-temperature mean free path of photogenerated nonthermalized electrons. Experimental determination of mesoscopic ballistic optically generated carrier transport opens a new paradigm for hot electron-based solar energy conversion, and for facile control of ballistic transport distinct from existing low-dimensional semiconductor interfaces, surfaces, layers, or other structures.

Effects of Salts and Metal Oxides on Electrochemical and Optical Properties of Streptococcus mutans

NASA Astrophysics Data System (ADS)

Kawai, Tsuyoshi; Nagame, Seigo; Kambara, Masaki; Yoshino, Katsumi

1994-10-01

The effects of calcium salts and metal oxide powders on electrochemical, optical and biological properties of Streptococcus mutans have been studied as a novel method to determine the strain. Electrochemical signals of Streptococcus mutans show remarkable decrease in the presence of saturated calcium salts such as CaHPO4, Ca3(PO4)2, and Ca5(PO4)3OH depending on the strains of Streptococcus mutans: Ingbritt, NCTC-10449, or GS-5. The number of viable cells also decreases upon addition of these powders. The effects of metal oxides such as ZnO and BaTiO3 on the electrochemical characteristics and photoluminescence of Streptococcus mutans have also been studied.

Anomalous atomic displacement parameters and local dynamics in the Curie range of a Pb-free relaxor ferroelectric system (Bi1-xBax)(Fe1-xTix)O3(0.36 ≤ x ≤ 0.50)

NASA Astrophysics Data System (ADS)

Singh, Anar; Moriyoshi, Chikako; Kuroiwa, Yoshihiro; Pandey, Dhananjai

2018-04-01

We report here the relaxor ferroelectric (RFE) behaviour in a multiferroic solid solution system, (Bi1-xBax)(Fe1-xTix)O3, at a critical disorder level of xC ˜ 0.35 in BiFeO3 and 0.65 (i.e., 1-xC = 0.35) in BaTiO3 similar to the 1:2 ratio of Mg2+ and Nb5+ in the canonical RFE Pb(Mg1/3Nb2/3)O3. This Pb-free system, like canonical Pb-based RFEs, does not exhibit macroscopic symmetry breaking and shows only the signatures of ergodicity breaking at Vogel-Fulcher freezing temperature (TVF). The atomic displacement parameters (ADPs) of Fe3+/Ti4+ and O2-, obtained using high wave vector (Q) and high-resolution synchrotron x-ray diffraction data as a function of temperature, show anomalous diffuse peaks in the Curie range. It is shown that the diffuse peak in ADPs is due to softening of the vibrational frequencies of the B-O chain (B = Fe3+/Ti4+ and O = O2-) below the Burns temperature (TB) followed by hardening below the characteristic temperature (T'm), which corresponds to a peak in the dielectric permittivity (ɛ').

First principles calculations for liquids and solids using maximally localized Wannier functions

NASA Astrophysics Data System (ADS)

Swartz, Charles W., VI

The field of condensed matter computational physics has seen an explosion of applicability over the last 50+ years. Since the very first calculations with ENIAC and MANIAC the field has continued to pushed the boundaries of what is possible; from the first large-scale molecular dynamics simulation, to the implementation of Density Functional Theory and large scale Car-Parrinello molecular dynamics, to million-core turbulence calculations by Standford. These milestones represent not only technological advances but theoretical breakthroughs and algorithmic improvements as well. The work in this thesis was completed in the hopes of furthering such advancement, even by a small fraction. Here we will focus mainly on the calculation of electronic and structural properties of solids and liquids, where we shall implement a wide range of novel approaches that are both computational efficient and physically enlightening. To this end we routinely will work with maximally localized Wannier functions (MLWFs) which have recently seen a revival in mainstream scientific literature. MLWFs present us with interesting opportunity to calculate a localized orbital within the planewave formalism of atomistic simulations. Such a localization will prove to be invaluable in the construction of layer-based superlattice models, linear scaling hybrid functional schemes and model quasiparticle calculations. In the first application of MLWF we will look at modeling functional piezoelectricity in superlattices. Based on the locality principle of insulating superlattices, we apply the method of Wu et al to the piezoelectric strains of individual layers under iifixed displacement field. For a superlattice of arbitrary stacking sequence an accurate model is acquired for predicting piezoelectricity. By applying the model in the superlattices where ferroelectric and antiferrodistortive modes are in competition, functional piezoelectricity can be achieved. A strong nonlinear effect is observed and can be further engineered in the PbTiO3 /SrTiO3 superlattice and an interface enhancement of piezoelectricity is found in the BaTiO3 /CaTiO3 superlattice. The second project will look at The ionization potential distributions of hydrated hydroxide and hydronium which are computed within a many-body approach for electron excitations using configurations generated by ab initio molecular dynamics. The experimental features are well reproduced and found to be closely related to the molecular excitations. In the stable configurations, the ionization potential is mainly perturbed by solvent water molecules within the first solvation shell. On the other hand, electron excitation is delocalized on both proton receiving and donating complex during proton transfer, which shifts the excitation energies and broadens the spectra for both hydrated ions. The third project represents a work in progress, where we also make use of the previous electron excitation theory applied to ab initio x-ray emission spectroscopy. In this case we make use of a novel method to include the ultrafast core-hole electron dynamics present in such situations. At present we have shown only strong qualitative agreement with experiment.

An Investigation of Dielectric, Piezoelectric Properties and Microstructures of Bi0.5Na0.5TiO3-BaTiO3-Bi0.5K0.5TiO3 Lead-Free Piezoelectric Ceramics Doped with K2AlNbO5 Compound

NASA Astrophysics Data System (ADS)

Liu, Gang; Jiang, Wentao; Liu, Kaihua; Liu, Xiaokui; Song, Chunlin; Yan, Yan; Jin, Li

2017-08-01

The effect of K2AlNbO5 compound acting as both donor and accepter on the phase, microstructures and electrical properties of the 0.9362(Bi0.5Na0.5)TiO3-0.0637BaTiO3-0.02(Bi0.5K0.5)TiO3 [(1- x)(0.9163BNT-0.0637BT-0.02BKT)- x(K2AlNbO5)] (BNKBT-1000 xKAN) ternary lead-free piezoelectric ceramics was systematically investigated. When doping content of K2AlNbO5 was varied from 0 to 0.009, the BNKBT-1000 xKAN ceramics showed a single perovskite structure, and the phase structure transferred from a rhombohedral-tetragonal coexistent morphotropic phase boundaries zone to a tetragonal zone. The x-ray photoelectron spectroscopy analysis indicated that the chemical valence of the Nb and Al element are 5+ and 3+, respectively. Strong relaxor characteristics were revealed by the temperature-dependent dielectric properties of the ceramics. Typical square polarization-electric field ( P- E) hysteresis loops were observed in the samples with doping content lower than 0.005. However, with further increasing the doping content ( x = 0.007 and 0.009), round P- E hysteresis loops were observed due to the high conductivity of these samples. Moreover, when the doping content was less than 0.005, the ceramic samples exhibited good piezoelectric properties. Specially, when the doping content was 0.001, the piezoelectric constant d 33 and electromechanical coupling coefficient k p of the sample were 197 pC/N and 22%, respectively. However, further addition would deteriorate both the dielectric and piezoelectric properties.

Ground-state densities from the Rayleigh-Ritz variation principle and from density-functional theory.

PubMed

Kvaal, Simen; Helgaker, Trygve

2015-11-14

The relationship between the densities of ground-state wave functions (i.e., the minimizers of the Rayleigh-Ritz variation principle) and the ground-state densities in density-functional theory (i.e., the minimizers of the Hohenberg-Kohn variation principle) is studied within the framework of convex conjugation, in a generic setting covering molecular systems, solid-state systems, and more. Having introduced admissible density functionals as functionals that produce the exact ground-state energy for a given external potential by minimizing over densities in the Hohenberg-Kohn variation principle, necessary and sufficient conditions on such functionals are established to ensure that the Rayleigh-Ritz ground-state densities and the Hohenberg-Kohn ground-state densities are identical. We apply the results to molecular systems in the Born-Oppenheimer approximation. For any given potential v ∈ L(3/2)(ℝ(3)) + L(∞)(ℝ(3)), we establish a one-to-one correspondence between the mixed ground-state densities of the Rayleigh-Ritz variation principle and the mixed ground-state densities of the Hohenberg-Kohn variation principle when the Lieb density-matrix constrained-search universal density functional is taken as the admissible functional. A similar one-to-one correspondence is established between the pure ground-state densities of the Rayleigh-Ritz variation principle and the pure ground-state densities obtained using the Hohenberg-Kohn variation principle with the Levy-Lieb pure-state constrained-search functional. In other words, all physical ground-state densities (pure or mixed) are recovered with these functionals and no false densities (i.e., minimizing densities that are not physical) exist. The importance of topology (i.e., choice of Banach space of densities and potentials) is emphasized and illustrated. The relevance of these results for current-density-functional theory is examined.

Physics and Chemistry of Creating New Titanates with Perovskite Structure

NASA Astrophysics Data System (ADS)

Politova, E. D.; Kaleva, G. M.; Golubko, N. V.; Mosunov, A. V.; Sadovskaya, N. V.; Bel'kova, D. A.; Strebkov, D. A.; Stefanovich, S. Yu.; Kiselev, D. A.; Kislyuk, A. M.

2018-06-01

The phase formation, structural features, and dielectric, ferroelectric, and piezoelectric properties of ceramics with compositions from the region of the morphotropic phase boundary in the (Na0.5Bi0.5)TiO3-BaTiO3-Bi(Mg0.5Ti0.5)O3 system modified by different low-melting additives (Bi2O3, V2O5, KCl, NaCl-LiF, LiF, CuO, and MnO2) are studied. First-order phase transitions are detected near 700-800 and 400 K that display relaxor behavior and are indicative of the presence of polar regions in a nonpolar matrix. Prospects for improving the piezoelectric properties of the modified ceramic samples are confirmed.

Comparison of Piezo-material based Energy Transduction Systems for Artificial Nanoswimmer

NASA Astrophysics Data System (ADS)

Nain, S.; Rathore, J. S.; Sharma, N. N.

2018-04-01

The energy harnessing is a process of obtaining energy from the surrounding environment and converting into electrical energy. In the last two decades, there has been a plenteous study in energy harnessing. Now a day, energy harnessing using piezoelectric materials has drawn attention of researchers due to low cost, flexibility and light weight. The benefits of piezoelectric material can be utilized by designing a self-powered device for artificial nanoswimmer. Some of the ceramics which displays the piezoelectric effect are lead-zirconate-titanate (PZT), lead-titanate (PbTiO2), lead-zirconate (PbZrO3) and Barium Titanate (BaTiO3). PZT is most extensively used piezoelectric material in the field of energy harnessing but it is brittle in nature. Lead based piezoelectric materials are toxic in nature and may not suitable for in-vivo biomedical applications. To eradicate this problem, researchers are interested in synthesizing lead free piezoelectric material such as Aluminium Nitride (AIN), Barium Titanate (BaTiO3) and Polyvinylidenefluoride (PVDF). The biocompatibility of PVDF makes it appropriate to be used for energy harnessing in human body for applications like on board powering of nanoswimmer for various disease detection and drug delivery. In this paper, a cantilever beam is being simulated in COMSOL to study electric potential generated on the surface of beam made of different piezoelectric materials such as AIN, PVDF and PZT due to fluidic pressure, which will be utilized as energy for actuation of artificial nanoswimmer. Piezo-based cantilever beams have been compared and maximum electric potential is being observed in PVDF based beam. PVDF seems most promising piezoelectric material for in-vivo biomedical application and it is readily available.

Effect of BaTiO3 nano-particles on breakdown performance of propylene carbonate.

PubMed

Hou, Yanpan; Zhang, Zicheng; Zhang, Jiande; Liu, Zhuofeng; Song, Zuyin

2015-05-01

As an alternative to water, propylene carbonate (PC) has a good application prospect in the compact pulsed power sources for its breakdown strength higher than that of water, resistivity bigger than 10(9) Ω m, and low freezing temperature (-49 °C). In this paper, the investigation into dielectric breakdown of PC and PC-based nano-fluids (NFs) subjected to high amplitude electric field is presented with microsecond pulses applied to a 1 mm gap full of PC or NFs between spherical electrodes. One kind of NF is composed of PC mixed with 0.5-1.4 vol. % BaTiO3 (BT) nano-particles of mean diameter ≈100 nm and another is mixed with 0.3-0.8 vol. % BT nano-particles of mean diameter ≈30 nm. The experimental results demonstrate the rise of permittivity and improvement of the breakdown strength of NFs compared with PC. Moreover, it is found that there exists an optimum fraction for these NFs corresponding to tremendous surface area in nano-composites with finite mesoscopic thickness. In concrete, the dielectric breakdown voltage of NFs is 33% higher than that of PC as the volume concentration of nano-particles with a 100 nm diameter is 0.9% and the breakdown voltage of NFs is 40% higher as the volume concentration of nano-particles with a 30 nm diameter is 0.6%. These phenomena are considered as the dielectric breakdown voltage of PC-based NFs is increased because the interfaces between nano-fillers and PC matrices provide myriad trap sites for charge carriers, which play a dominant role in the breakdown performance of NFs.

Evidence for existence of functional monoclinic phase in sodium niobate based solid solution by powder neutron diffraction

NASA Astrophysics Data System (ADS)

Mishra, S. K.; Jauhari, Mrinal; Mittal, R.; Krishna, P. S. R.; Reddy, V. R.; Chaplot, S. L.

2018-04-01

We have carried out systematic temperature-dependent neutron diffraction measurements in conjunction with dielectric spectroscopy from 6 to 300 K for sodium niobate based compounds (1-x) NaNbO3-xBaTiO3 (NNBTx). The dielectric constant is measured as a function of both temperature and frequency. It shows an anomaly at different temperatures in cooling and heating cycles and exhibits a large thermal hysteresis of ˜150 K for the composition x = 0.03. The dielectric constant is found to be dispersive in nature and suggests a relaxor ferroelectric behavior. In order to explore structural changes as a function of temperature, we analyzed the powder neutron diffraction data for the compositions x = 0.03 and 0.05. Drastic changes are observed in the powder profiles near 2θ ˜ 30.6°, 32.1°, and 34.6° in the diffraction pattern below 200 K during cooling and above 190 K in heating cycles, respectively. The disappearance of superlattice reflection and splitting in main perovskite peaks provide a signature for structural phase transition. We observed stabilization of a monoclinic phase (Cc) at low temperature. This monoclinic phase is believed to provide a flexible polarization rotation and considered to be directly linked to the high performance piezoelectricity in materials. The thermal hysteresis for composition x = 0.03 is larger than that for x = 0.05. This suggests that the addition of BaTiO3 to NaNbO3 suppresses the thermal hysteresis. It is also observed that the structural phase transition temperature decreases upon increasing the dopant concentration.

Hybrid local-order mechanism for inversion symmetry breaking

NASA Astrophysics Data System (ADS)

Wolpert, Emma H.; Overy, Alistair R.; Thygesen, Peter M. M.; Simonov, Arkadiy; Senn, Mark S.; Goodwin, Andrew L.

2018-04-01

Using classical Monte Carlo simulations, we study a simple statistical mechanical model of relevance to the emergence of polarization from local displacements on the square and cubic lattices. Our model contains two key ingredients: a Kitaev-like orientation-dependent interaction between nearest neighbors and a steric term that acts between next-nearest neighbors. Taken by themselves, each of these two ingredients is incapable of driving long-range symmetry breaking, despite the presence of a broad feature in the corresponding heat-capacity functions. Instead, each component results in a "hidden" transition on cooling to a manifold of degenerate states; the two manifolds are different in the sense that they reflect distinct types of local order. Remarkably, their intersection, i.e., the ground state when both interaction terms are included in the Hamiltonian, supports a spontaneous polarization. In this way, our study demonstrates how local-order mechanisms might be combined to break global inversion symmetry in a manner conceptually similar to that operating in the "hybrid" improper ferroelectrics. We discuss the relevance of our analysis to the emergence of spontaneous polarization in well-studied ferroelectrics such as BaTiO3 and KNbO3.

Electro-Caloric Properties of BT/PZT Multilayer Thin Films Prepared by Sol-Gel Method.

PubMed

Kwon, Min-Su; Lee, Sung-Gap; Kim, Kyeong-Min

2018-09-01

In this study, Barium Titanate (BT)/Lead Zirconate Titanate (PZT) multilayer thin films were fabricated by the spin-coating method on Pt (200 nm)/Ti (10 nm) SiO2 (100 nm)/P-Si (100) substrates using BaTiO3 and Pb(Zr0.90Ti0.10)O3 metal alkoxide solutions. The coating and heating procedure was repeated several times to form the multilayer thin films. All of BT/PZT multilayer thin films show X-ray diffraction patterns typical to a polycrystalline perovskite structure and a uniform and void free grain microstructure. The thickness of the BT and PZT film by one-cycle of drying/sintering was approximately 50 nm and all of the films consisted of fine grains with a flat surface morphology. The electrocaloric properties of BT/PZT thin films were investigated by indirect estimation. The results showed that the temperature change ΔT can be calculated as a function of temperature using Maxwell's relation; the temperature change reaches a maximum value of ~1.85 °C at 135 °C under an applied electric field of 260 kV/cm.

4-Arylflavan-3-ols as Proanthocyanidin Models: Absolute Configuration via Density Functional Calculation of Electronic Circular Dichroism

USDA-ARS?s Scientific Manuscript database

Density functional theory/B3LYP has been employed to optimize the conformations of selected 4-arylflavan-3-ols and their phenolic methyl ether 3-O-acetates. The electronic circular dichroism spectra of the major conformers have been calculated using time-dependent density functional theory to valida...

Advances in Lead-Free Piezoelectric Materials for Sensors and Actuators

PubMed Central

Aksel, Elena; Jones, Jacob L.

2010-01-01

Piezoelectrics have widespread use in today’s sensor and actuator technologies. However, most commercially available piezoelectric materials, e.g., Pb [ZrxTi1−x] O3 (PZT), are comprised of more than 60 weight percent lead (Pb). Due to its harmful effects, there is a strong impetus to identify new lead-free replacement materials with comparable properties to those of PZT. This review highlights recent developments in several lead-free piezoelectric materials including BaTiO3, Na0.5Bi0.5TiO3, K0.5Bi0.5TiO3, Na0.5K0.5NbO3, and their solid solutions. The factors that contribute to strong piezoelectric behavior are described and a summary of the properties for the various systems is provided. PMID:22294907

Efficient ultraviolet photorefraction in LiNbO3

NASA Astrophysics Data System (ADS)

Jungen, R.; Angelow, G.; Laeri, F.; Grabmaier, C.

1992-07-01

A nominally undoped LiNbO3 crystal with a slightly broadened absorption edge is used to study beam coupling effects in the UV at 351 nm. At this wavelength the crystal exhibits a diffusion-dominated charge transport mechanism, which allows steady state beam amplification of up to 700 times, comparable to BaTiO3 in the visible. The used crystal material was characterized by an absorption coefficient α=2.68 cm-1 at 351 nm and a maximal gain coefficient Г=13.94 cm-1. This high gain value in the UV can be attributed to a hole diffusion-dominated charge transport mechanism together with a low bulk photovoltaic effect. We measured photovoltaic fields of the order of 550 V/cm.

Externally controlled on-demand release of anti-HIV drug using magneto-electric nanoparticles as carriers.

PubMed

Nair, Madhavan; Guduru, Rakesh; Liang, Ping; Hong, Jeongmin; Sagar, Vidya; Khizroev, Sakhrat

2013-01-01

Although highly active anti-retroviral therapy has resulted in remarkable decline in the morbidity and mortality in AIDS patients, inadequately low delivery of anti-retroviral drugs across the blood-brain barrier results in virus persistence. The capability of high-efficacy-targeted drug delivery and on-demand release remains a formidable task. Here we report an in vitro study to demonstrate the on-demand release of azidothymidine 5'-triphosphate, an anti-human immunodeficiency virus drug, from 30 nm CoFe2O4@BaTiO3 magneto-electric nanoparticles by applying a low alternating current magnetic field. Magneto-electric nanoparticles as field-controlled drug carriers offer a unique capability of field-triggered release after crossing the blood-brain barrier. Owing to the intrinsic magnetoelectricity, these nanoparticles can couple external magnetic fields with the electric forces in drug-carrier bonds to enable remotely controlled delivery without exploiting heat. Functional and structural integrity of the drug after the release was confirmed in in vitro experiments with human immunodeficiency virus-infected cells and through atomic force microscopy, spectrophotometry, Fourier transform infrared and mass spectrometry studies.

Structural secrets of multiferroic interfaces.

PubMed

Meyerheim, H L; Klimenta, F; Ernst, A; Mohseni, K; Ostanin, S; Fechner, M; Parihar, S; Maznichenko, I V; Mertig, I; Kirschner, J

2011-02-25

We present an experimental and theoretical study of the geometric structure of ultrathin BaTiO(3) films grown on Fe(001). Surface x-ray diffraction reveals that the films are terminated by a BaO layer, while the TiO(2) layer is next to the top Fe layer. Cations in termination layers have incomplete oxygen shells inducing strong vertical relaxations. Onset of polarization is observed at a minimum thickness of two unit cells. Our findings are supported by first-principles calculations providing a quantitative insight into the multiferroic properties on the atomic scale. © 2011 American Physical Society

Nanoparticles Doped Liquid Crystal Filled Photonic Bandgap Fibers

NASA Astrophysics Data System (ADS)

Scolari, Lara; Gauza, Sebastian; Xianyu, Haiqing; Zhai, Lei; Eskildsen, Lars; Alkeskjold, Thomas Tanggaard; Wu, Shin-Tson; Bjarklev, Anders

2008-10-01

We infiltrate liquid crystals doped with BaTiO3 nanoparticles in a photonic crystal fiber and compare the measured transmission spectrum to the one achieved with undoped liquid crystals. New interesting features such as frequency dependent behavior and a transmission spectrum with tunable attenuation on the short wavelength side of the bandgap suggest a potential application of this device as a tunable all-in-fiber gain equalization filter. The tunability of the device is demonstrated by changing the temperature of the liquid crystal and by varying both the amplitude and the frequency of the applied external electric field.

Enhancing breakdown strength and energy storage performance of PVDF-based nanocomposites by adding exfoliated boron nitride

NASA Astrophysics Data System (ADS)

Xie, Yunchuan; Wang, Jian; Yu, Yangyang; Jiang, Wanrong; Zhang, Zhicheng

2018-05-01

Polymer/ceramic nanocomposites are promising dielectrics for high energy storage density (Ue) capacitors. However, their low breakdown strength (Eb) and high dielectric loss due to heterogeneous structure seriously limit their applications under high electric field. In this work, boron nitride nano-sheets (BNNS) exfoliated from BN particles were introduced into PVDF-based BaTiO3 (mBT) binary composites to reduce the dielectric loss and promote the Ue. The effects of BNNS on the dielectric properties, especially breakdown resistance, and energy storage performance of the resultant composites were carefully investigated by comparing with the composites without BNNS. The introduction of BNNS could significantly improve Eb and Ue of the final composites. Ternary composite with particle contents of 6 wt% BNNS and 5 wt% mBT presented a Eb of about 400 MV/m and Ue of 5.2 J/cm3, which is 40% and 30% superior to that of the binary composite with 5 wt% mBT, respectively. That may be attributed to the 2D structure, high bulk electrical resistivity, and fine dispersion in PVDF of BNNS, which is acting as an efficient insulating barrier against the leakage current and charges conduction. The depression effect of BNNS onto the charge mobility and the interfacial polarization of the polymer composites is finely addressed, which may offer a promising strategy for the fabrication of high-k polymer composites with low loss.

Dielectric and piezoelectric properties of lead-free (Bi,Na)TiO3-based thin films

NASA Astrophysics Data System (ADS)

Abazari, M.; Safari, A.; Bharadwaja, S. S. N.; Trolier-McKinstry, S.

2010-02-01

Dielectric and piezoelectric properties of morphotropic phase boundary (Bi,Na)TiO3-(Bi,K)TiO3-BaTiO3 epitaxial thin films deposited on SrRuO3 coated SrTiO3 substrates were reported. Thin films of 350 nm thickness exhibited small signal dielectric permittivity and loss tangent values of 750 and 0.15, respectively, at 1 kHz. Ferroelectric hysteresis measurements indicated a remanent polarization value of 30 μC/cm2 with a coercive field of 85-100 kV/cm. The thin film transverse piezoelectric coefficient (e31,f) of these films after poling at 600 kV/cm was found to be -2.2 C/m2. The results indicate that these BNT-based thin films are a potential candidate for lead-free piezoelectric devices.

Magnetic orders of LaTiO3 under epitaxial strain: A first-principles study

NASA Astrophysics Data System (ADS)

Weng, Yakui; Huang, Xin; Tang, Yankun; Dong, Shuai

2014-05-01

Perovskite LaTiO3 bulk is a typical Mott-insulator with G-type antiferromagnetic order. In this work, the biaxial strain effects on the ground magnetic order of LaTiO3 films grown on various substrates have been studied. For the compressive strain, LaTiO3 films grown on LaAlO3, LaGaO3, and SrTiO3 substrates undergo a phase transition from the original G-type antiferromagnet to A-type antiferromagnet. The underlying physical mechanisms are the lattice distortions tunned by strain. While for the tensile strain, the BaTiO3 and LaScO3 substrates have been tested, which show a tendency to transit the LaTiO3 to the C-type antiferromagnet. Furthermore, our calculations find that the magnetic transitions under epitaxial strain do not change the insulating fact of LaTiO3.

An extended hybrid density functional (X3LYP) with improved descriptions of nonbond interactions and thermodynamic properties of molecular systems

NASA Astrophysics Data System (ADS)

Xu, Xin; Zhang, Qingsong; Muller, Richard P.; Goddard, William A.

2005-01-01

We derive here the form for the exact exchange energy density for a density that decays with Gaussian-type behavior at long range. This functional is intermediate between the B88 and the PW91 exchange functionals. Using this modified functional to match the form expected for Gaussian densities, we propose the X3LYP extended functional. We find that X3LYP significantly outperforms Becke three parameter Lee-Yang-Parr (B3LYP) for describing van der Waals and hydrogen bond interactions, while performing slightly better than B3LYP for predicting heats of formation, ionization potentials, electron affinities, proton affinities, and total atomic energies as validated with the extended G2 set of atoms and molecules. Thus X3LYP greatly enlarges the field of applications for density functional theory. In particular the success of X3LYP in describing the water dimer (with Re and De within the error bars of the most accurate determinations) makes it an excellent candidate for predicting accurate ligand-protein and ligand-DNA interactions.

From The Cover: The X3LYP extended density functional for accurate descriptions of nonbond interactions, spin states, and thermochemical properties.

PubMed

Xu, Xin; Goddard, William A

2004-03-02

We derive the form for an exact exchange energy density for a density decaying with Gaussian-like behavior at long range. Based on this, we develop the X3LYP (extended hybrid functional combined with Lee-Yang-Parr correlation functional) extended functional for density functional theory to significantly improve the accuracy for hydrogen-bonded and van der Waals complexes while also improving the accuracy in heats of formation, ionization potentials, electron affinities, and total atomic energies [over the most popular and accurate method, B3LYP (Becke three-parameter hybrid functional combined with Lee-Yang-Parr correlation functional)]. X3LYP also leads to a good description of dipole moments, polarizabilities, and accurate excitation energies from s to d orbitals for transition metal atoms and ions. We suggest that X3LYP will be useful for predicting ligand binding in proteins and DNA.

From The Cover: The X3LYP extended density functional for accurate descriptions of nonbond interactions, spin states, and thermochemical properties

NASA Astrophysics Data System (ADS)

Xu, Xin; Goddard, William A., III

2004-03-01

We derive the form for an exact exchange energy density for a density decaying with Gaussian-like behavior at long range. Based on this, we develop the X3LYP (extended hybrid functional combined with Lee-Yang-Parr correlation functional) extended functional for density functional theory to significantly improve the accuracy for hydrogen-bonded and van der Waals complexes while also improving the accuracy in heats of formation, ionization potentials, electron affinities, and total atomic energies [over the most popular and accurate method, B3LYP (Becke three-parameter hybrid functional combined with Lee-Yang-Parr correlation functional)]. X3LYP also leads to a good description of dipole moments, polarizabilities, and accurate excitation energies from s to d orbitals for transition metal atoms and ions. We suggest that X3LYP will be useful for predicting ligand binding in proteins and DNA.

The X3LYP extended density functional for accurate descriptions of nonbond interactions, spin states, and thermochemical properties

PubMed Central

Xu, Xin; Goddard, William A.

2004-01-01

We derive the form for an exact exchange energy density for a density decaying with Gaussian-like behavior at long range. Based on this, we develop the X3LYP (extended hybrid functional combined with Lee–Yang–Parr correlation functional) extended functional for density functional theory to significantly improve the accuracy for hydrogen-bonded and van der Waals complexes while also improving the accuracy in heats of formation, ionization potentials, electron affinities, and total atomic energies [over the most popular and accurate method, B3LYP (Becke three-parameter hybrid functional combined with Lee–Yang–Parr correlation functional)]. X3LYP also leads to a good description of dipole moments, polarizabilities, and accurate excitation energies from s to d orbitals for transition metal atoms and ions. We suggest that X3LYP will be useful for predicting ligand binding in proteins and DNA. PMID:14981235

Insulation-resistance degradation kinetics of bulk BaTi1-ξAξO3-Δ and defect-chemical origin of acceptor-type(A) and doping-level(ξ) effect

NASA Astrophysics Data System (ADS)

Kwon, Hyung-Soon; Yoon, Seok-Hyun; Yoo, Han-Ill

2016-07-01

Dearth of the reproducible, consistent observations on insulation-resistance (IR) degradation kinetics of bulk dielectric BaTiO3 may be attributed to their conventional measurement method, two-probe potentiostatic, which would be by no means free from the electrode effect for a finite- dimension specimen in particular. We hereby measured the IR-degradation kinetics galvanostatically by using a series of inner probes on bulk BaTi1-ξAξO3-Δ (A = Al, Mn; ξ = 0.001, 0.003, 0.010) with their high-temperature (1000 °C) equilibrium ionic-defect-structure in air being frozen-in at 250 °C and compared with the kinetics as calculated on the basis of the electromigration of frozen-in oxygen vacancies ( cV o ) in association with the A-ionization or hole-trapping equilibria. It has turned out that the calculated depict sufficiently precisely all the as-observed kinetics as well as the effects of acceptor type(A) and doping level(ξ), thus, quantitatively establishing the correlation between the frozen-in ionic-defect-structure and IR-degradation kinetics with new insights into the degradation inner-workings: IR-degradation is triggered as soon as the oxygen vacancy concentration at the cathode reaches that corresponding to the insulator-to-semiconductor transition ( cV S / I ) and proceeds with the front of just-turned, n-type semiconducting region ( c V = cV S / I ) moving towards the anode at a fixed velocity. The healthy lifetime of the dielectric is, thus, essentially the time duration for the cathode to achieve cV S / I from cV o , and the final stage of degradation is approximated to be the length fraction χs of the semiconductor such that χs = cV o / cV S / I . A new suggestion is finally made to further suppress the IR degradation kinetics of the bulk dielectric BaTiO3.

The permittivity and refractive index measurements of doped barium titanate (BT-BCN)

NASA Astrophysics Data System (ADS)

Meeker, Michael A.; Kundu, Souvik; Maurya, Deepam; Kang, Min-Gyu; Sosa, Alejandro; Mudiyanselage, Rathsara R. H. H.; Clavel, Michael; Gollapudi, Sreenivasulu; Hudait, Mantu K.; Priya, Shashank; Khodaparast, Giti A.

2017-11-01

While piezoelectric- ferroelectric materials offer great potential for nonvolatile random access memory, most commonly implemented ferroelectrics contain lead which imposes a challenge in meeting environmental regulations. One promising candidate for lead-free, ferroelectric material based memory is (1 - x) BaTiO3 - xBa(Cu1 / 3 Nb2 / 3) O3 (BT-BCN), x = 0.025 . The samples studied here were grown on a Si substrate with an HfO2 buffer layer, thereby preventing the interdiffusion of BT-BTCN into Si. This study provides further insight into the physical behavior of BT-BCN that will strengthen the foundation for developing switching devices. The sample thicknesses ranged from 1.5 to 120 nm, and piezoelectric force microscopy was employed in order to understand the local ferroelectric behaviors. Dielectric constant as a function of frequency demonstrated enhanced frequency dispersion indicating the polar nature of the composition. The relative permittivity was found to change significantly with varying bias voltage and exhibited a tunability of 82%. The difference in the peak position during up and down sweeps is due to the presence of the spontaneous polarization. Furthermore, reflectometry was performed to determine the refractive index of samples with differing thicknesses. Our results demonstrate that refractive indices are similar to that of barium titanate. This is a promising result indicating that improved ferroelectric properties are obtained without compromising the optical properties.

Generation and Reduction of NOx on Air-Fed Ozonizers

NASA Astrophysics Data System (ADS)

Ehara, Yoshiyasu; Amemiya, Yusuke; Yamamoto, Toshiaki

A generation and reduction of NOx on air-fed ozonizers using a ferroelectric packed bed reactor have been experimentally investigated. The reactors packed with CaTiO3, SrTiO3 and BaTiO3 pellets are examined for ozone generation. An ac voltage is applied to the reactor to generate partial discharge. Ozone concentration and the different nitrogen oxides at downstream of the packed bed reactor were measured with UV absorption ozone monitor and a Fourier transform infrared spectroscope respectively. The dielectric constant of packed ferroelectric pellets influences the discharge characteristic, ozone and NOx generations are varied by the dielectric constant value. Focusing on a discharge pulse current and maximum discharge magnitude, the ferroelectric packed bed plasma reactors have been evaluated on nitrogen oxide and ozone generated concentrations.

A Density Functional for Liquid 3He Based on the Aziz Potential

NASA Astrophysics Data System (ADS)

Barranco, M.; Hernández, E. S.; Mayol, R.; Navarro, J.; Pi, M.; Szybisz, L.

2006-09-01

We propose a new class of density functionals for liquid 3He based on the Aziz helium-helium interaction screened at short distances by the microscopically calculated two-body distribution function g(r). Our aim is to reduce to a minumum the unavoidable phenomenological ingredients inherent to any density functional approach. Results for the homogeneous liquid and droplets are presented and discussed.

A flexible, planar energy harvesting device for scavenging road side waste mechanical energy via the synergistic piezoelectric response of K0.5Na0.5NbO3-BaTiO3/PVDF composite films.

PubMed

Vivekananthan, Venkateswaran; Alluri, Nagamalleswara Rao; Purusothaman, Yuvasree; Chandrasekhar, Arunkumar; Kim, Sang-Jae

2017-10-12

Flexible, planar composite piezoelectric nanogenerators (C-PNGs) were developed to harness waste mechanical energy using cost-effective composite films (CFs) prepared via a probe-sonication technique. CFs, made up of highly crystalline, randomly oriented lead free piezoelectric nanoparticles (1 - x)K 0.5 Na 0.5 NbO 3 -xBaTiO 3 , where x = 0.02, 0.04, 0.06, or 0.08 [designated as KNN-xBTO], were impregnated in a polyvinylidene fluoride (PVDF) matrix. The KNN piezoelectric properties were tuned via the substitution of BTO nanoparticles, without altering the orthorhombic phase. A C-PNG device (x ≈ 0.02) generates a maximum open circuit voltage ≈160 V, and the instantaneous area power density is ≈14 mW m -2 upon a low mechanical force ≈0.4 N. The effects of BTO concentration in the KNN lattice, electrical poling effects, the fixed weight ratio of nanoparticles in the PVDF matrix, switching polarity tests, and load resistance analysis of C-PNG devices were investigated with constant mechanical force. Furthermore, the experimentally demonstrated C-PNG device output is sufficient to drive commercial blue light emitting diodes. The C-PNG device was placed on a road side, and the maximum energy generation and stability under real time harsh conditions, such as vehicle motion (motorcycle and bicycle) and human walking, were tested. C-PNG generates a peak-to-peak output voltage ≈16 V, when motorcycle forward/backward motion acts on it. This result indicates that the C-PNG device is a potential candidate to power road side sensors, speed tachometers, light indicators, etc. on highways.

Unusual polarization patterns in flat epitaxial ferroelectric nanoparticles

NASA Astrophysics Data System (ADS)

Naumov, Ivan; Bratkovsky, Alexandr

2009-03-01

We investigate the effects of a lattice misfit strain on a ground state and polarization patterns in flat perovskite nanoparticles (nanoislands of BaTiO3 and PbZr0.5Ti0.5O3) with the use of an ab-initio derived effective Hamiltonian. We show that the strain strongly controls the balance between the depolarizing field and the polarization anizotropy in determining the equilibrium polarization patterns. Compressive strain favors 180 ^0 stripe/tweed domains while a tensile strain leads to in-plane vortex formation, with the unusual intermediate phase (s) where both ordering motifs coexist [1]. The results may allow to explain contradictions in recent experimental data for ferroelectric nanoparticles. [1] Ivan Naumov and Alexander M. Bratkovsky, Phys. Rev. Lett. 101, 107601 (2008).

Image fidelity improvement in digital holographic microscopy using optical phase conjugation

NASA Astrophysics Data System (ADS)

Chan, Huang-Tian; Chew, Yang-Kun; Shiu, Min-Tzung; Chang, Chi-Ching

2018-01-01

With respect to digital holography, techniques in suppressing noises derived from reference arm are maturely developed. However, techniques for the object counterpart are not being well developed. Optical phase conjugation technique was believed to be a promising method for this interest. A 0°-cut BaTiO3 photorefractive crystal was involved in self-pumped phase conjugation scheme, and was employed to in-line digital holographic microscopy, in both transmission-type and reflection-type configuration. On pure physical compensation basis, results revealed that the image fidelity was improved substantially with 2.9096 times decrease in noise level and 3.5486 times increase in the ability to discriminate noise on average, by suppressing the scattering noise prior to recording stage.

An extended hybrid density functional (X3LYP) with improved descriptions of nonbond interactions and thermodynamic properties of molecular systems.

PubMed

Xu, Xin; Zhang, Qingsong; Muller, Richard P; Goddard, William A

2005-01-01

We derive here the form for the exact exchange energy density for a density that decays with Gaussian-type behavior at long range. This functional is intermediate between the B88 and the PW91 exchange functionals. Using this modified functional to match the form expected for Gaussian densities, we propose the X3LYP extended functional. We find that X3LYP significantly outperforms Becke three parameter Lee-Yang-Parr (B3LYP) for describing van der Waals and hydrogen bond interactions, while performing slightly better than B3LYP for predicting heats of formation, ionization potentials, electron affinities, proton affinities, and total atomic energies as validated with the extended G2 set of atoms and molecules. Thus X3LYP greatly enlarges the field of applications for density functional theory. In particular the success of X3LYP in describing the water dimer (with R(e) and D(e) within the error bars of the most accurate determinations) makes it an excellent candidate for predicting accurate ligand-protein and ligand-DNA interactions. (c) 2005 American Institute of Physics.

Effects of applied electric field during postannealing on the tunable properties of (Ba,Sr)TiO3 thin films

NASA Astrophysics Data System (ADS)

Xia, Yidong; Cheng, Jinbo; Pan, Bai; Wu, Di; Meng, Xiangkang; Liu, Zhiguo

2005-08-01

The impact of postannealing in electric field on the structure, tunability, and dielectric behavior of rf magnetron sputtering derived (Ba,Sr)TiO3 films has been studied. It has been demonstrated that postannealing in the proper electric field can increase the dielectric constant and the tunability remarkably and destroy the symmetry of capacitance-voltage characteristics of the films. The increased out-of-plane lattice constant and the appearance of the hysteresis loops in the electric-annealed films indicated the formation of small polar regions with tetragonal structure, which are responsible for the increased dielectric constant and tunability. It was proposed that the segregation of Ti3+ ions caused by electric annealing could induce the formation of BaTiO3-like regions, which are ferroelectric at room temperature.

Parallel optical image addition and subtraction in a dynamic photorefractive memory by phase-code multiplexing

NASA Astrophysics Data System (ADS)

Denz, Cornelia; Dellwig, Thilo; Lembcke, Jan; Tschudi, Theo

1996-02-01

We propose and demonstrate experimentally a method for utilizing a dynamic phase-encoded photorefractive memory to realize parallel optical addition, subtraction, and inversion operations of stored images. The phase-encoded holographic memory is realized in photorefractive BaTiO3, storing eight images using WalshHadamard binary phase codes and an incremental recording procedure. By subsampling the set of reference beams during the recall operation, the selectivity of the phase address is decreased, allowing one to combine images in such a way that different linear combination of the images can be realized at the output of the memory.

Electric Field Distribution in High Voltage Power Modules Using Finite Element Simulations

NASA Astrophysics Data System (ADS)

Wang, Zhao; Liu, Yaoning

2018-03-01

With the development of the high voltage insulated gate bipolar transistor (IGBT) power module, it leads to serious problems concerning the electric field insulation. The electric field capabilities of the silicone gels used in the power module encapsulation directly affect the module insulation. Some solutions have been developed to optimize the electric field and reliability. In this letter, the finite element simulation was used to analyze and localize the maximum electric field position; solutions were proposed to improve the module insulation. It’s demonstrated that BaTiO3 silicone composite is a promising insulation material for high voltage power device.

Specific Features of the Domain Structure of BaTiO3 Crystals during Thermal Heating and Cooling

NASA Astrophysics Data System (ADS)

Kiselev, D. A.; Ilina, T. S.; Malinkovich, M. D.; Sergeeva, O. N.; Bolshakova, N. N.; Semenova, E. M.; Kuznetsova, Yu. V.

2018-04-01

This paper presents the results of the study of the domain structure of barium titanate crystals in a wide temperature range including the Curie point ( T C) using the polarization-optical method in the reflected light and the force microscopy of the piezoelectric response. It is shown that a new a-c domain structure forms during cyclic heating of the crystal above T C and subsequent cooling to the ferroelectric phase. The role of uncompensated charges appeared on the crystal surface during the phase transition and their influence on the formation of the domain structure during cooling are discussed.

Absolute second order nonlinear susceptibility of Pt nanowire arrays on MgO faceted substrates with various cross-sectional shapes

NASA Astrophysics Data System (ADS)

Ogata, Yoichi; Mizutani, Goro

2013-08-01

We have measured optical second harmonic generation (SHG) intensity from three types of Pt nanowires with 7 nm widths of elliptical and boomerang cross-sectional shapes and with 2 nm width elliptical cross-sectional shapes on the MgO faceted templates. From the SHG intensities, we calculated the absolute value of the nonlinear susceptibility χ(2) integrated in the direction of the wire-layer thickness. The tentatively obtained bulk χ(2)B of the wire layer was very large, approaching the value of the well-known nonlinear optical material BaTiO3.

Laser-driven interactions and resultant instabilities in materials with high dielectric constant

NASA Astrophysics Data System (ADS)

Rajpoot, Moolchandra; Dixit, Sanjay

2015-07-01

An analytical investigation of nonlinear interactions resulting in parametric amplification of acoustic wave is made by obtaining the dispersion relation using hydrodynamic model of inhomogeneous plasma by applying large static field at an arbitrary angle with the pump wave. The investigation shows that many early studies have neglected dependence of dielectric constant on deformation of materials but deformation of materials does infect depends on the dielectric constant of medium. Thus we have assumed to high dielectric material like BaTiO3 which resulted in substantially high growth rate of threshold electric field which opens a new dimension to study nonlinear interactions and instabilities.

Course 4: Density Functional Theory, Methods, Techniques, and Applications

NASA Astrophysics Data System (ADS)

Chrétien, S.; Salahub, D. R.

Contents 1 Introduction 2 Density functional theory 2.1 Hohenberg and Kohn theorems 2.2 Levy's constrained search 2.3 Kohn-Sham method 3 Density matrices and pair correlation functions 4 Adiabatic connection or coupling strength integration 5 Comparing and constrasting KS-DFT and HF-CI 6 Preparing new functionals 7 Approximate exchange and correlation functionals 7.1 The Local Spin Density Approximation (LSDA) 7.2 Gradient Expansion Approximation (GEA) 7.3 Generalized Gradient Approximation (GGA) 7.4 meta-Generalized Gradient Approximation (meta-GGA) 7.5 Hybrid functionals 7.6 The Optimized Effective Potential method (OEP) 7.7 Comparison between various approximate functionals 8 LAP correlation functional 9 Solving the Kohn-Sham equations 9.1 The Kohn-Sham orbitals 9.2 Coulomb potential 9.3 Exchange-correlation potential 9.4 Core potential 9.5 Other choices and sources of error 9.6 Functionality 10 Applications 10.1 Ab initio molecular dynamics for an alanine dipeptide model 10.2 Transition metal clusters: The ecstasy, and the agony... 10.3 The conversion of acetylene to benzene on Fe clusters 11 Conclusions

Time-dependent density-functional tight-binding method with the third-order expansion of electron density

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nishimoto, Yoshio, E-mail: nishimoto.yoshio@fukui.kyoto-u.ac.jp

2015-09-07

We develop a formalism for the calculation of excitation energies and excited state gradients for the self-consistent-charge density-functional tight-binding method with the third-order contributions of a Taylor series of the density functional theory energy with respect to the fluctuation of electron density (time-dependent density-functional tight-binding (TD-DFTB3)). The formulation of the excitation energy is based on the existing time-dependent density functional theory and the older TD-DFTB2 formulae. The analytical gradient is computed by solving Z-vector equations, and it requires one to calculate the third-order derivative of the total energy with respect to density matrix elements due to the inclusion of themore » third-order contributions. The comparison of adiabatic excitation energies for selected small and medium-size molecules using the TD-DFTB2 and TD-DFTB3 methods shows that the inclusion of the third-order contributions does not affect excitation energies significantly. A different set of parameters, which are optimized for DFTB3, slightly improves the prediction of adiabatic excitation energies statistically. The application of TD-DFTB for the prediction of absorption and fluorescence energies of cresyl violet demonstrates that TD-DFTB3 reproduced the experimental fluorescence energy quite well.« less

Time-dependent density-functional tight-binding method with the third-order expansion of electron density.

PubMed

Nishimoto, Yoshio

2015-09-07

We develop a formalism for the calculation of excitation energies and excited state gradients for the self-consistent-charge density-functional tight-binding method with the third-order contributions of a Taylor series of the density functional theory energy with respect to the fluctuation of electron density (time-dependent density-functional tight-binding (TD-DFTB3)). The formulation of the excitation energy is based on the existing time-dependent density functional theory and the older TD-DFTB2 formulae. The analytical gradient is computed by solving Z-vector equations, and it requires one to calculate the third-order derivative of the total energy with respect to density matrix elements due to the inclusion of the third-order contributions. The comparison of adiabatic excitation energies for selected small and medium-size molecules using the TD-DFTB2 and TD-DFTB3 methods shows that the inclusion of the third-order contributions does not affect excitation energies significantly. A different set of parameters, which are optimized for DFTB3, slightly improves the prediction of adiabatic excitation energies statistically. The application of TD-DFTB for the prediction of absorption and fluorescence energies of cresyl violet demonstrates that TD-DFTB3 reproduced the experimental fluorescence energy quite well.

Density functional theory calculations of the water interactions with ZrO2 nanoparticles Y2O3 doped

NASA Astrophysics Data System (ADS)

Subhoni, Mekhrdod; Kholmurodov, Kholmirzo; Doroshkevich, Aleksandr; Asgerov, Elmar; Yamamoto, Tomoyuki; Lyubchyk, Andrei; Almasan, Valer; Madadzada, Afag

2018-03-01

Development of a new electricity generation techniques is one of the most relevant tasks, especially nowadays under conditions of extreme growth in energy consumption. The exothermic heterogeneous electrochemical energy conversion to the electric energy through interaction of the ZrO2 based nanopowder system with atmospheric moisture is one of the ways of electric energy obtaining. The questions of conversion into the electric form of the energy of water molecules adsorption in 3 mol% Y2O3 doped ZrO2 nanopowder systems were investigated using the density functional theory calculations. The density functional theory calculations has been realized as in the Kohn-Sham formulation, where the exchange-correlation potential is approximated by a functional of the electronic density. The electronic density, total energy and band structure calculations are carried out using the all-electron, full potential, linear augmented plane wave method of the electronic density and related approximations, i.e. the local density, the generalized gradient and their hybrid approximations.

Survival of the most transferable at the top of Jacob's ladder: Defining and testing the ωB97M(2) double hybrid density functional

NASA Astrophysics Data System (ADS)

Mardirossian, Narbe; Head-Gordon, Martin

2018-06-01

A meta-generalized gradient approximation, range-separated double hybrid (DH) density functional with VV10 non-local correlation is presented. The final 14-parameter functional form is determined by screening trillions of candidate fits through a combination of best subset selection, forward stepwise selection, and random sample consensus (RANSAC) outlier detection. The MGCDB84 database of 4986 data points is employed in this work, containing a training set of 870 data points, a validation set of 2964 data points, and a test set of 1152 data points. Following an xDH approach, orbitals from the ωB97M-V density functional are used to compute the second-order perturbation theory correction. The resulting functional, ωB97M(2), is benchmarked against a variety of leading double hybrid density functionals, including B2PLYP-D3(BJ), B2GPPLYP-D3(BJ), ωB97X-2(TQZ), XYG3, PTPSS-D3(0), XYGJ-OS, DSD-PBEP86-D3(BJ), and DSD-PBEPBE-D3(BJ). Encouragingly, the overall performance of ωB97M(2) on nearly 5000 data points clearly surpasses that of all of the tested density functionals. As a Rung 5 density functional, ωB97M(2) completes our family of combinatorially optimized functionals, complementing B97M-V on Rung 3, and ωB97X-V and ωB97M-V on Rung 4. The results suggest that ωB97M(2) has the potential to serve as a powerful predictive tool for accurate and efficient electronic structure calculations of main-group chemistry.

A note on the accuracy of KS-DFT densities

NASA Astrophysics Data System (ADS)

Ranasinghe, Duminda S.; Perera, Ajith; Bartlett, Rodney J.

2017-11-01

The accuracy of the density of wave function methods and Kohn-Sham (KS) density functionals is studied using moments of the density, ⟨rn ⟩ =∫ ρ (r )rnd τ =∫0∞4 π r2ρ (r ) rnd r ,where n =-1 ,-2,0,1,2 ,and 3 provides information about the short- and long-range behavior of the density. Coupled cluster (CC) singles, doubles, and perturbative triples (CCSD(T)) is considered as the reference density. Three test sets are considered: boron through neon neutral atoms, two and four electron cations, and 3d transition metals. The total density and valence only density are distinguished by dropping appropriate core orbitals. Among density functionals tested, CAMQTP00 and ωB97x show the least deviation for boron through neon neutral atoms. They also show accurate eigenvalues for the HOMO indicating that they should have a more correct long-range behavior for the density. For transition metals, some density functional approximations outperform some wave function methods, suggesting that the KS determinant could be a better starting point for some kinds of correlated calculations. By using generalized many-body perturbation theory (MBPT), the convergence of second-, third-, and fourth-order KS-MBPT for the density is addressed as it converges to the infinite-order coupled cluster result. For the transition metal test set, the deviations in the KS density functional theory methods depend on the amount of exact exchange the functional uses. Functionals with exact exchange close to 25% show smaller deviations from the CCSD(T) density.

Relation of the external mechanical stress to the properties of piezoelectric materials for energy harvesting

NASA Astrophysics Data System (ADS)

Jeong, Soon-Jong; Kim, Min-Soo; Lee, Dae-Su; Song, Jae-Sung; Cho, Kyung-Ho

2013-12-01

We investigated the piezoelectric properties and the generation of voltage and power under the mechanical compressive loads for three types of piezoelectric ceramics 0.2Pb(Mg1/3Nb2/3)O3-0.8Pb(Zr0.475Ti0.525)O3 (soft-PZT), 0.1Pb(Mg1/3Sb2/3)O3- 0.9Pb(Zr0.475Ti0.525)O3 (hard-PZT) and [0.675Pb(Mg1/3Nb2/3)O3-0.35PbTiO3]+5 wt% BaTiO3 (textured-PMNT). The piezoelectric d 33 coefficients of all specimens increased with increasing compressive load. The generated voltage and power showed a linear relation and square relation to the applied stress, respectively. These results were larger than those calculated using the simple piezoelectric equation due to the non-linear characteristics of the ceramics, so they were evaluated with a simple model based on a non-linear relation.

Investigation of phase segregation using Rietveld refinement in Mg doped BaTiO3 solid solutions and their ferroelectric properties

NASA Astrophysics Data System (ADS)

Aanchal, Kaur, Kiranpreet; Singh, Anupinder; Singh, Mandeep

2018-05-01

Ba(1-x) Mgx Ti O3 (BMT) samples were synthesised using solid state reaction route with `x' varying from 0.025 to 0.10. The structural and ferroelectric properties of the bulk samples were investigated. The XRD analysis shows the presence of two phases, the first phase being magnesium doped BT (space group P4mm) and the second phase being Ba2TiO4 (space group Pna21). The tetragonal phase was found to be the major phase in the samples. The double phase Rietveld refinement was done and the weight percentage of orthorhombic phase was found to vary from 3.43% to 6.96% for x varying from 0.025≤x≤0.10. The P - E measurements reveal that all the samples exhibit lossy behaviour.

Structure and electrical properties of <001> textured (Ba0.85Ca0.15)(Ti0.9Zr0.1)O3 lead-free piezoelectric ceramics

NASA Astrophysics Data System (ADS)

Ye, S. K.; Fuh, J. Y. H.; Lu, L.

2012-06-01

<001> textured (Ba0.85Ca0.15)(Ti0.9Zr0.1)O3 (BCTZ) lead-free piezoelectric ceramics were prepared by templated-grain growth method using BaTiO3 as template. The degree of orientation and the microstructure of the ceramics with different amount of template were investigated. The electrical properties of the textured-ceramics in the optimized condition were dramatically enhanced compared with randomly-oriented BCTZ ceramics. The textured BCTZ ceramics showed high piezoelectric constants d33 = 470 pC/N and d31 = -170 pC/N, and high electromechanical coupling factors kp = 44% and k31 = 22%. In addition, the Curie point of the textured ceramics revealed an increase with the template content.

Mixed conduction and chemical diffusion in a Pb(Zr0.53,Ti0.47)O3 buried capacitor structure

NASA Astrophysics Data System (ADS)

Donnelly, Niall J.; Randall, Clive A.

2010-02-01

Impedance spectroscopy is performed on a buried capacitor structure composed of a PZT-0.75% Nb ceramic with platinum electrodes. The ionic and electronic conductivities (σion,σelec) are extracted from the impedance spectra using an equivalent circuit based on the premise of mixed conduction. In the temperature range 500-700 °C, a change in local pO2 mainly affects σelec, suggesting that the samples are ionically compensated, i.e., [VO••]=[VPb″]. The chemical diffusion coefficient, D˜, is obtained by a conductivity relaxation technique assuming two-dimensional diffusion geometry. In comparison to BaTiO3, or SrTiO3, the chemical diffusivity is found to be relatively high, D˜=2.0×10-4 cm2 s-1 (700 °C, in air).

Noncontact surface tension and viscosity measurements of molten oxides with a pressurized hybrid electrostatic-aerodynamic levitator

NASA Astrophysics Data System (ADS)

Ishikawa, Takehiko; Yu, Jianding; Paradis, Paul-François

2006-05-01

In order to measure the surface tension and the viscosity of molten oxides, the oscillation drop technique has been applied on a pressurized hybrid electrostatic-aerodynamic levitator. To suppress the electrical discharge between the top and bottom electrodes, the drop excitation method which has been used with high vacuum electrostatic levitators has been modified. As a demonstration, the surface tension and viscosity of liquid BaTiO3 were measured using this new method. Over the 1500-2000K interval, the surface tension was measured as γ(T )=349-0.03 (T-Tm) (10-3N/m), where Tm=1893K is the melting temperature. Similarly, the viscosity was determined as η(T )=0.53exp[5.35×104/(RT)](10-3Pas) over the same temperature interval.

Predicting vapor liquid equilibria using density functional theory: A case study of argon

NASA Astrophysics Data System (ADS)

Goel, Himanshu; Ling, Sanliang; Ellis, Breanna Nicole; Taconi, Anna; Slater, Ben; Rai, Neeraj

2018-06-01

Predicting vapor liquid equilibria (VLE) of molecules governed by weak van der Waals (vdW) interactions using the first principles approach is a significant challenge. Due to the poor scaling of the post Hartree-Fock wave function theory with system size/basis functions, the Kohn-Sham density functional theory (DFT) is preferred for systems with a large number of molecules. However, traditional DFT cannot adequately account for medium to long range correlations which are necessary for modeling vdW interactions. Recent developments in DFT such as dispersion corrected models and nonlocal van der Waals functionals have attempted to address this weakness with a varying degree of success. In this work, we predict the VLE of argon and assess the performance of several density functionals and the second order Møller-Plesset perturbation theory (MP2) by determining critical and structural properties via first principles Monte Carlo simulations. PBE-D3, BLYP-D3, and rVV10 functionals were used to compute vapor liquid coexistence curves, while PBE0-D3, M06-2X-D3, and MP2 were used for computing liquid density at a single state point. The performance of the PBE-D3 functional for VLE is superior to other functionals (BLYP-D3 and rVV10). At T = 85 K and P = 1 bar, MP2 performs well for the density and structural features of the first solvation shell in the liquid phase.

Probing charge transfer in a novel class of luminescent perovskite-based heterostructures composed of quantum dots bound to RE-activated CaTiO 3 phosphors

DOE PAGES

Crystal S. Lewis; Wong, Stanislaus S.; Liu, Haiqing; ...

2016-01-04

We report on the synthesis and structural characterization of novel semiconducting heterostructures composed of cadmium selenide (CdSe) quantum dots (QDs) attached onto the surfaces of novel high-surface area, porous rare-earth-ion doped alkaline earth titanate micron-scale spherical motifs, i.e. both Eu-doped and Pr-doped CaTiO 3, composed of constituent, component nanoparticles. These unique metal oxide perovskite building blocks were created by a multi-pronged synthetic strategy involving molten salt and hydrothermal protocols. Subsequently, optical characterization of these heterostructures indicated a clear behavioral dependence of charge transfer in these systems upon a number of parameters such as the nature of the dopant, the reactionmore » temperature, and particle size. Specifically, 2.7 nm diameter ligand-functionalized CdSe QDs were anchored onto sub-micron sized CaTiO 3-based spherical assemblies, prepared by molten salt protocols. We found that both the Pr- and Eu-doped CaTiO 3 displayed pronounced PL emissions, with maximum intensities observed using optimized lanthanide concentrations of 0.2 mol% and 6 mol%, respectively. Analogous experiments were performed on Eu-doped BaTiO 3 and SrTiO 3 motifs, but CaTiO 3 still performed as the most effective host material amongst the three perovskite systems tested. Furthermore, the ligand-capped CdSe QD-doped CaTiO 3 heterostructures exhibited effective charge transfer between the two individual constituent nanoscale components, an assertion corroborated by the corresponding quenching of their measured PL signals.« less

Thermoelectric properties of conducting polyaniline/BaTiO3 nanoparticle composite films

NASA Astrophysics Data System (ADS)

Anno, H.; Yamaguchi, K.; Nakabayashi, T.; Kurokawa, H.; Akagi, F.; Hojo, M.; Toshima, N.

2011-05-01

Conducting polyaniline (PANI)/BaTiO3 nanoparticle composite films with different molar ratio values R=1, 5, 10, and 100 have been prepared on a quartz substrate by casting the m-cresol solution of PANI, (±)-10-camphorsulfonic acid (CSA) and BaTiO3 nanoparticle with an average diameter of about 20 nm. The CSA-doped PANI/BaTiO3 composite films were characterized by x-ray diffraction, Fourier transform infrared spectroscopy, and UV-Vis transmission spectroscopy. The Seebeck coefficient and the electrical conductivity of the films with different R values, together with CSA-doped PANI films, were measured in the temperature range from room temperature to ~400 K. The relation between the Seebeck coefficient and the electrical conductivity in the composite films are discussed from a comparison of them with those of CSA-doped PANI films and other PANI composite films.

Generation mechanism of negative permittivity and Kramers-Kronig relations in BaTiO3/Y3Fe5O12 multiferroic composites

NASA Astrophysics Data System (ADS)

Wang, Zhongyang; Sun, Kai; Xie, Peitao; Liu, Yao; Fan, Runhua

2017-09-01

Recently, negative parameters such as negative permittivity and negative permeability have been attracting extensive attention for their unique electromagnetic properties. Usually, negative permittivity is well achieved by plasma oscillation of free electrons in conductor-insulator composites or metamaterials, while some attention has been paid to attaining negative permittivity in ceramics to reduce dielectric loss. In this paper, negative permittivity in barium titanate and yttrium iron garnet composites are reported which was well fitted by the Lorentz model. Further, negative permittivity behavior was verified via Kramers-Kronig relations, and it revealed that the causal principle still valid for negative permittivity resulted from dielectric resonance. The interrelationships among negative permittivity, capacitive-inductive transition and ac conductivity are discussed.

Contradictory nature of Co doping in ferroelectric BaTi O 3

DOE PAGES

Ponath, Patrick; O’Hara, Andrew; Cao, Hai-Xia; ...

2016-11-11

The growth of Co-substituted BaTiO 3 (BTO) films on Ge(001) substrates by molecular beam epitaxy is demonstrated in this paper. Energy-dispersive x-ray spectroscopy and transmission electron microscopy images confirm the uniform Co distribution. However, no evidence of magnetic ordering is observed in samples grown for Co concentrations between 2% and 40%. Piezoresponse force microscopy measurements show that a 5% Co-substituted BTO sample exhibits ferroelectric behavior. First-principles calculations indicate that while Co atoms couple ferromagnetically in the absence of oxygen vacancies, the occurrence of oxygen vacancies leads to locally antiferromagnetically coupled complexes with relatively strong spin coupling. Finally, the presence ofmore » a significant amount of oxygen vacancies is suggested by x-ray photoelectron spectroscopy measurements.« less

Pressure calibrants in the hydrothermal diamond-anvil cell

USGS Publications Warehouse

Chou, I.-Ming

2007-01-01

Based on the equation of state of water (EOSW), experimental pressure in the hydrothermal diamond-anvil cell (HDAC) using pure water or dilute aqueous solutions as a pressure medium can be accurately determined at each measured temperature. Consequently, meaningful interpretations can be obtained for observations in the HDAC, which has been widely accepted as a versatile, modern apparatus for hydrothermal experiments. However, this is not true when other pressure media were used because there is no reliable way to determine experimental pressure other than the use of in situ pressure sensors. Most of the available pressure sensors are difficult to apply because they either require expensive facilities to perform the measurements or are unable to provide the accuracy needed for the interpretation of hydrothermal experiments. The only exception is to use the interferometric method to detect the ??-?? quartz transition, although such applications are limited to temperatures above 573??C. In this study, three pressure calibrants were calibrated for applications at lower temperatures, and they were based on visual observation of the ferroelastic phase transitions in BaTiO3 (tetragonal/cubic), Pb3(PO4)2 (monoclinic/trigonal), and PbTiO3 (tetragonal/cubic). For the phase transitions in BaTiO3 and Pb3(PO4)2, the temperature at which twinning disappears during heating was taken as the transition temperature (Ttr); the phase transition pressures (Ptr) can be calculated, respectively, from Ptr (MPa; ??3%) = 0.17 - 21.25 [(Ttr) - 115.3], and Ptr (MPa; ??2%) = 1.00 - 10.62 [(Ttr) - 180.2], where Ttr is in ??C. For the phase transition in PbTiO3, the temperature at which the movement of phase front begins (or ends) on heating (or cooling) was taken as the transition temperature (Ttr,h or Ttr,c), and the phase transition pressures on heating (Ptr,h) and cooling (Ptr,c) can be calculated from Ptr,h (MPa; ??4%) = 7021.7 - 14.235 (Ttr,h), and Ptr,c (MPa; ??4%) = 6831.3 - 14.001 (Ttr,c). Phase transitions for these three pressure calibrants are easy to detect visually, and their P-T phase boundaries have negative slopes and intersect isochors of most of the geologic fluids at high angles and, therefore, are easy to apply. Copyright ?? 2007 by V. H. Winston & Son, Inc. All rights reserved.

Magnetic-saturation zone model for two semipermeable cracks in magneto-electro-elastic medium

NASA Astrophysics Data System (ADS)

Jangid, Kamlesh

2018-03-01

Extension of the PS model (Gao et al. [1]) in piezoelectric materials and the SEMPS model (Fan and Zhao [2]) in MEE materials, is proposed for two semi-permeable cracks in a MEE medium. It is assumed that the magnetic yielding occurs at the continuation of the cracks due to the prescribed loads. We have model these crack continuations as the zones with cohesive saturation limit magnetic induction. Stroh's formalism and complex variable techniques are used to formulate the problem. Closed form analytical expressions are derived for various fracture parameters. A numerical case study is presented for BaTiO3 - CoFe2O4 ceramic cracked plate.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ponath, Patrick; O’Hara, Andrew; Cao, Hai-Xia

The growth of Co-substituted BaTiO 3 (BTO) films on Ge(001) substrates by molecular beam epitaxy is demonstrated in this paper. Energy-dispersive x-ray spectroscopy and transmission electron microscopy images confirm the uniform Co distribution. However, no evidence of magnetic ordering is observed in samples grown for Co concentrations between 2% and 40%. Piezoresponse force microscopy measurements show that a 5% Co-substituted BTO sample exhibits ferroelectric behavior. First-principles calculations indicate that while Co atoms couple ferromagnetically in the absence of oxygen vacancies, the occurrence of oxygen vacancies leads to locally antiferromagnetically coupled complexes with relatively strong spin coupling. Finally, the presence ofmore » a significant amount of oxygen vacancies is suggested by x-ray photoelectron spectroscopy measurements.« less

The preparation of copper fine particle paste and its application as the inner electrode material of a multilayered ceramic capacitor

NASA Astrophysics Data System (ADS)

Yonezawa, Tetsu; Takeoka, Shinsuke; Kishi, Hiroshi; Ida, Kiyonobu; Tomonari, Masanori

2008-04-01

Well size-controlled copper fine particles (diameter: 100-300 nm) were used as the inner electrode material of multilayered ceramic capacitors (MLCCs). The particles were dispersed in terpineol to form a printing paste with 50 wt% copper particles. The MLCC precursor modules prepared by the layer-by-layer printing of copper and BaTiO3 particles were cosintered. Detailed observation of the particles, paste, and MLCCs before and after sintering was carried out by electron microscopy. The sintering temperature of Cu-MLCC was as low as 960 °C. The permittivity of these MLCCs was successfully measured with the copper inner layers.

Self-Interaction Error in Density Functional Theory: An Appraisal.

PubMed

Bao, Junwei Lucas; Gagliardi, Laura; Truhlar, Donald G

2018-05-03

Self-interaction error (SIE) is considered to be one of the major sources of error in most approximate exchange-correlation functionals for Kohn-Sham density-functional theory (KS-DFT), and it is large with all local exchange-correlation functionals and with some hybrid functionals. In this work, we consider systems conventionally considered to be dominated by SIE. For these systems, we demonstrate that by using multiconfiguration pair-density functional theory (MC-PDFT), the error of a translated local density-functional approximation is significantly reduced (by a factor of 3) when using an MCSCF density and on-top density, as compared to using KS-DFT with the parent functional; the error in MC-PDFT with local on-top functionals is even lower than the error in some popular KS-DFT hybrid functionals. Density-functional theory, either in MC-PDFT form with local on-top functionals or in KS-DFT form with some functionals having 50% or more nonlocal exchange, has smaller errors for SIE-prone systems than does CASSCF, which has no SIE.

Assessing Density Functionals Using Many Body Theory for Hybrid Perovskites

NASA Astrophysics Data System (ADS)

Bokdam, Menno; Lahnsteiner, Jonathan; Ramberger, Benjamin; Schäfer, Tobias; Kresse, Georg

2017-10-01

Which density functional is the "best" for structure simulations of a particular material? A concise, first principles, approach to answer this question is presented. The random phase approximation (RPA)—an accurate many body theory—is used to evaluate various density functionals. To demonstrate and verify the method, we apply it to the hybrid perovskite MAPbI3 , a promising new solar cell material. The evaluation is done by first creating finite temperature ensembles for small supercells using RPA molecular dynamics, and then evaluating the variance between the RPA and various approximate density functionals for these ensembles. We find that, contrary to recent suggestions, van der Waals functionals do not improve the description of the material, whereas hybrid functionals and the strongly constrained appropriately normed (SCAN) density functional yield very good agreement with the RPA. Finally, our study shows that in the room temperature tetragonal phase of MAPbI3 , the molecules are preferentially parallel to the shorter lattice vectors but reorientation on ps time scales is still possible.

EELS characterisation of bulk CaCu3Ti4O12 ceramics.

PubMed

Calvert, Clair C; Rainforth, W Mark; Sinclair, Derek C; West, Anthony R

2006-01-01

CaCu3Ti4O12 (CCTO) is a cubic perovskite phase and sintered ceramics exhibit high permittivity at room temperature. Electron energy-loss spectroscopy (EELS) and energy dispersive X-ray spectrometry (EDS) data have been collected from samples of CCTO to relate the observed electrical properties to the microstructure and chemistry on the nanoscale. CCTO ceramics were sintered for 24h at 1115 degrees C in air, giving a grain size of 50-300 microm. Ti L(2,3)-, Cu L(2,3)- and O K-edge EEL data were collected for bulk CCTO (within grain) and compared with well characterised Ti-oxides, CaTiO3 and BaTiO3 perovskites. The bulk metal L(2,3)-edge data for CCTO suggest that Cu is divalent and Ti is present as Ti4+. The O K-edge of CCTO shows increased near-edge structure (NES) compared to those of the simple perovskites.

RADC Multi-Dimensional Signal-Processing Research Program.

DTIC Science & Technology

1980-09-30

Formulation 7 3.2.2 Methods of Accelerating Convergence 8 3.2.3 Application to Image Deblurring 8 3.2.4 Extensions 11 3.3 Convergence of Iterative Signal... noise -driven linear filters, permit development of the joint probability density function oz " kelihood function for the image. With an expression...spatial linear filter driven by white noise (see Fig. i). If the probability density function for the white noise is known, Fig. t. Model for image

Magnetoelectricity in Multi-Scale Composites and Application in Nanorobotics for Live Cell Manipulation

NASA Astrophysics Data System (ADS)

Betal, Soutik

In this research biomedical and sensor applications of magnetoelectric effect have been broadly explored using magnetoelectric composites. Firstly NiFe2O4/Pb(Zr0.52Ti0.48)O 3/NiFe2O4 layered bulk composite have been studied to achieve high magnetoelectric coefficient for their applications in brain magnetic field detection at room temperature. Magnetic sensors like SQUID (superconducting quantum interference device) nowadays are able to detect pico-Tesla magnetic fields produced outside the brain by the neuronal currents which can be used for diagnostic application, but due to heavy liquid helium cooling and insulation requirements, the technique become quite inefficient in gaining high resolution measurement. At room temperature layered ME samples exhibit high magnetoelectric response in mV/cm.Oe range and hence can transform very low magnetic field into electric signal which can be measured even in femtovolts. Moreover temperature and a.c. frequency dependent studies were done to extensively characterize the layered ME sample for sensor application. Secondly core-shell magnetoelectric nanoparticles (CSMEN) have been fabricated, characterized and their interaction with biological cell in presence of a.c. and d.c. field have been thoroughly analyzed. A magnetically controlled elastically driven electroporation phenomenon, or Magneto-Elasto- Electroporation (MEEP), is discovered while studying interactions between core-shell magneto-electric nanoparticles (CSMEN) and biological cells in the presence of an AC magnetic field. In this research MEEP effect was observed via a series of in-vitro experiments using core (CoFe2O4)-shell (BaTiO3 ) structured magnetoelectric nanoparticles and human epithelial cells (HEP2). Cell electroporation phenomenon and its correlation with the magnetic field modulated CSMEN have been elaborately studied. Potential of CSMEN for application in targeted single cell electroporation have been confirmed by analysing crystallographic phases, multiferroic properties of the fabricated CSMEN , influences of DC and AC magnetic field on the CSMEN and cytotoxicity tests. We also report the mathematical formalism to quantitatively describe the phenomena. The reported findings provide the basis of the underlying MEEP mechanism and demonstrate the utility of CSMEN as electric pulse generating nano-probe in cell electroporation experiments for the potential application towards accurate and efficient targeted cell permeation as well as drug delivery. Thirdly, experiments of fabricated magnetoelectric nanocomposites with biological cells in controlled boundary condition under fluctuating and biased magnetic field excitation revealed the smart nanorobotics characteristics of the nanostructure to achieve remote controlled dynamically targeted live cell manipulation. A remotely controlled dynamic process of manipulating targeted biological live cells using fabricated core-shell magnetoelectric nanocomposites have been fabricated, which comprises of single crystalline ferromagnetic cores (CoFe2O4) coated with crystalline ferroelectric thin film shells (BaTiO3). These nanocomposites are demonstrated as a unique family of inorganic magnetoelectric nanorobots (MENRs), controlled remotely by applied a.c. or d.c. magnetic fields, to perform cell targeting, permeation, patterning and transport. MENRs performs these functions via localized electric periodic pulse generation, local electric-field sensing, or thrust generation and acts as a unique tool for remotely controlled dynamically targeted cellular manipulation. Under a.c. magnetic field excitation (50 Oe, 60 Hz), the MENR acts as a localized periodic electric pulse generator and can permeate a series of misaligned cells, while aligning/patterning them to an equipotential mono-array. Under a.c. magnetic field (40 Oe, 30 Hz) excitation, MENRs can be dynamically driven to a targeted cell, avoiding untargeted cells in the path, irrespective of cell density. D.C. magnetic field (-50 Oe) excitation causes the MENRs to act as thrust generator and exerts motion in a group of cells. Visualization of magnetoelectricity at nanoscale and its application in dynamically targeted live cell manipulation have been presented in this research.

Interconfigurational energies in transition-metal atoms using gradient-corrected density-functional theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kutzler, F.W.; Painter, G.S.

1991-03-15

The rapid variation of charge and spin densities in atoms and molecules provides a severe test for local-density-functional theory and for the use of gradient corrections. In the study reported in this paper, we use the Langreth, Mehl, and Hu (LMH) functional and the generalized gradient approximation (GGA) of Perdew and Yue to calculate {ital s}-{ital d} transition energies, 4{ital s} ionization energies, and 3{ital d} ionization energies for the 3{ital d} transition-metal atoms. These calculations are compared with results from the local-density functional of Vosko, Wilk, and Nusair. By comparison with experimental energies, we find that the gradient functionalsmore » are only marginally more successful than the local-density approximation in calculating energy differences between states in transition-metal atoms. The GGA approximation is somewhat better than the LMH functional for most of the atoms studied, although there are several exceptions.« less

Dielectric relaxation and conduction mechanism studies of BNT-BT-BKT ceramics

NASA Astrophysics Data System (ADS)

Chandrasekhar, M.; Khatua, Dipak Kumar; Pattanayak, Ranjit; Kumar, P.

2017-12-01

Electrical properties of 0.884Bi0.5Na0.5TiO3-0.036BaTiO3-0.08Bi0.5K0.5TiO3 ceramic samples were investigated in 100Hz to 1 MHz frequency range and in 200-450 °C temperature range using impedance spectroscopy technique. Real part of impedance versus frequency plots in lower frequency region revealed its PTCR behavior and NTCR behaviors in higher frequency region. Impedance study also suggested the presence of non-Debye type relaxation mechanism. Cole-Cole plots suggested two relaxation regions, in which grain and grain, grain boundary effects were prominent in lower and high temperature regions, respectively. DC conductivity followed Arrhenius law with an activation energy of ∼0.79 and 1.2 eV, which suggested that the charge carrier were cation vacancies in lower temperature region whereas cation vacancies and oxygen vacancies in higher temperature region.

Strong excitonic interactions in the oxygen K-edge of perovskite oxides.

PubMed

Tomita, Kota; Miyata, Tomohiro; Olovsson, Weine; Mizoguchi, Teruyasu

2017-07-01

Excitonic interactions of the oxygen K-edge electron energy-loss near-edge structure (ELNES) of perovskite oxides, CaTiO 3 , SrTiO 3 , and BaTiO 3 , together with reference oxides, MgO, CaO, SrO, BaO, and TiO 2 , were investigated using a first-principles Bethe-Salpeter equation calculation. Although the transition energy of oxygen K-edge is high, strong excitonic interactions were present in the oxygen K-edge ELNES of the perovskite oxides, whereas the excitonic interactions were negligible in the oxygen K-edge ELNES of the reference compounds. Detailed investigation of the electronic structure suggests that the strong excitonic interaction in the oxygen K-edge ELNES of the perovskite oxides is caused by the directionally confined, low-dimensional electronic structure at the Ti-O-Ti bonds. Copyright © 2016 Elsevier B.V. All rights reserved.

Core-shell structured polystyrene/BaTiO3 hybrid nanodielectrics prepared by in situ RAFT polymerization: a route to high dielectric constant and low loss materials with weak frequency dependence.

PubMed

Yang, Ke; Huang, Xingyi; Xie, Liyuan; Wu, Chao; Jiang, Pingkai; Tanaka, Toshikatsu

2012-11-23

A novel route to prepare core-shell structured nanocomposites with excellent dielectric performance is reported. This approach involves the grafting of polystyrene (PS) from the surface of BaTiO(3) by an in situ RAFT polymerization. The core-shell structured PS/BaTiO(3) nanocomposites not only show significantly increased dielectric constant and very low dielectric loss, but also have a weak frequency dependence of dielectric properties over a wide range of frequencies. In addition, the dielectric constant of the nanocomposites can also be easily tuned by varying the thickness of the PS shell. Our method is very promising for preparing high-performance nanocomposites used in energy-storage devices. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Evolving morphotropic phase boundary in lead-free (Bi1/2Na1/2)TiO3-BaTiO3 piezoceramics

NASA Astrophysics Data System (ADS)

Jo, Wook; Daniels, John E.; Jones, Jacob L.; Tan, Xiaoli; Thomas, Pamela A.; Damjanovic, Dragan; Rödel, Jürgen

2011-01-01

The correlation between structure and electrical properties of lead-free (1-x)(Bi1/2Na1/2)TiO3-xBaTiO3 (BNT-100xBT) polycrystalline piezoceramics was investigated systematically by in situ synchrotron diffraction technique, combined with electrical property characterization. It was found that the morphotropic phase boundary (MPB) between a rhombohedral and a tetragonal phase evolved into a morphotropic phase region with electric field. In the unpoled material, the MPB was positioned at the transition from space group R3m to P4mm (BNT-11BT) with optimized permittivity throughout a broad single-phase R3m composition regime. Upon poling, a range of compositions from BNT-6BT to BNT-11BT became two-phase mixture, and maximum piezoelectric coefficient was observed in BNT-7BT. It was shown that optimized electrical properties are related primarily to the capacity for domain texturing and not to phase coexistence.

Optimal configuration of microstructure in ferroelectric materials by stochastic optimization

NASA Astrophysics Data System (ADS)

Jayachandran, K. P.; Guedes, J. M.; Rodrigues, H. C.

2010-07-01

An optimization procedure determining the ideal configuration at the microstructural level of ferroelectric (FE) materials is applied to maximize piezoelectricity. Piezoelectricity in ceramic FEs differs significantly from that of single crystals because of the presence of crystallites (grains) possessing crystallographic axes aligned imperfectly. The piezoelectric properties of a polycrystalline (ceramic) FE is inextricably related to the grain orientation distribution (texture). The set of combination of variables, known as solution space, which dictates the texture of a ceramic is unlimited and hence the choice of the optimal solution which maximizes the piezoelectricity is complicated. Thus, a stochastic global optimization combined with homogenization is employed for the identification of the optimal granular configuration of the FE ceramic microstructure with optimum piezoelectric properties. The macroscopic equilibrium piezoelectric properties of polycrystalline FE is calculated using mathematical homogenization at each iteration step. The configuration of grains characterized by its orientations at each iteration is generated using a randomly selected set of orientation distribution parameters. The optimization procedure applied to the single crystalline phase compares well with the experimental data. Apparent enhancement of piezoelectric coefficient d33 is observed in an optimally oriented BaTiO3 single crystal. Based on the good agreement of results with the published data in single crystals, we proceed to apply the methodology in polycrystals. A configuration of crystallites, simultaneously constraining the orientation distribution of the c-axis (polar axis) while incorporating ab-plane randomness, which would multiply the overall piezoelectricity in ceramic BaTiO3 is also identified. The orientation distribution of the c-axes is found to be a narrow Gaussian distribution centered around 45°. The piezoelectric coefficient in such a ceramic is found to be nearly three times as that of the single crystal. Our optimization model provide designs for materials with enhanced piezoelectric performance, which would stimulate further studies involving materials possessing higher spontaneous polarization.