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At least 1,747 records · Page 97
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Study of mechanical and dielectric spectrum in YFe{sub 1-x}Mn{sub x}O{sub 3} ceramics

The mechanical spectra of Mn-substituted yttrium orthoferrite YFe{sub 1-x}Mn{sub x}O{sub 3} (x = 0, 0.2, 0.3, 0.4) ceramics were performed at kilohertz from 100 to 360 K. Two internal friction (IF) peaks are observed around 150 K and 230 K, respectively, and both the IF peaks exhibit frequency dispersion behavior. The IF peak around 150 K is associated with a step increase in the modulus and its mechanical relaxation rate follows the Vogel-Fulcher relation with τ{sub 0} = 4.45 × 10{sup −11}s, E{sub α} = 0.03 eV, and T{sub VF} = 155 K. This IF peak can be explained in terms of a freezing of oxygen vacancies after excluding the possible magnetic spin glass transition. Another IF peak around 230 K presents a relaxation behavior and it follows Arrhenius law. Furthermore, the relaxation behavior was verified by the dielectric spectrum and it can be ascribed to the charge carrier hopping between Fe{sup 2+} and Fe{sup 3+}.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Hydrogen in tin dioxide films and bulk ceramics: An attempt to identify the most hidden impurity

Hydrogen impurities in SnO{sub 2} films and bulk ceramics were investigated in terms of mass transport and electron transport. The hydrogen concentration (n[H]) in these samples was found to be 10{sup 19} cm{sup −3} or higher. Further increase in n[H] could be achieved by annealing the samples in a humid atmosphere. The isotope tracer ({sup 1}H/{sup 2}H exchange) study revealed that a part of the hydrogen in these samples showed rapid migration even at 300 °C. However, electrical measurements revealed that the electron concentration in the samples was much less than n[H]. These results could be explained by assuming the presence of defect-hydrogen complexes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Magnetic and magnetocaloric properties of La{sub 0.85}(Na{sub 1−x}K{sub x}){sub 0.15}MnO{sub 3} ceramics produced by reactive spark plasma sintering

La{sub 0.85}(Na{sub 1−x}K{sub x}){sub 0.15}MnO{sub 3} (0 ≤ x ≤ 1) ceramics were synthesized from the raw La(OH){sub 3}, NaOH, KOH, and MnO{sub 2} powders using Reactive Spark Plasma Sintering. All the compounds were obtained as pure, dense, and ultrafine grained pellets. The Rietveld refinement of the X-Ray powder diffraction shows that all our synthesized samples are single phase and crystallize in the distorted rhombohedral system with R-3c space group. The thermal variation of their magnetization under a magnetic applied field of 50 mT shows a paramagnetic to ferromagnetic transition at a Curie temperature very close to room temperature. The magnetic entropy change, deduced from magnetization measurements versus magnetic applied field up to 5 T at several temperatures exhibits a maximum |ΔS{sub M}|{sub max} which slightly increases with increasing K content. The relative cooling power values, inferred from the |ΔS{sub M}| vs T peak broadening, vary slightly with the potassium content, reaching, values between 316 and 289 Jkg{sup −1}, in an applied magnetic field of 5 T, when x increases from 0 to 1. Technically, these large values make the prepared materials very promising for domestic magnetic refrigeration.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Intrinsic relationship between electronic structures and phase transition of SrBi{sub 2−x}Nd{sub x}Nb{sub 2}O{sub 9} ceramics from ultraviolet ellipsometry at elevated temperatures

The ferroelectric orthorhombic to paraelectric tetragonal phase transition of SrBi{sub 2−x}Nd{sub x}Nb{sub 2}O{sub 9} (x = 0, 0.05, 0.1, and 0.2) layer-structured ceramics has been investigated by temperature-dependent spectroscopic ellipsometry. Based on the analysis of dielectric functions from 0 to 500 °C with double Tauc-Lorentz dispersion model, the interband transitions located at ultraviolet region have shown an abrupt variation near the Curie temperature. The changes of dielectric functions are mainly due to the thermal-optical and/or photoelastic effect. Moreover, the characteristic alteration in interband transitions can be ascribed to distortion of NbO{sub 6} octahedron and variation of hybridization between Bi 6s and O 2p states during the structure transformation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

On the nature of phase transitions in the tetragonal tungsten bronze GdK{sub 2}Nb{sub 5}O{sub 15} ceramics

Phase transitions in gadolinium potassium niobate GdK{sub 2}Nb{sub 5}O{sub 15} (GKN) ceramics have been investigated by x-ray diffraction, dielectric susceptibility, differential scanning calorimetry, and Raman scattering. The results of our complementary studies show that GKN exhibits two phase transitions at T{sub c1} = 238 °C and T{sub c2} = 375 °C attributed to the ferroelectric-antiferroelectric-paraelectric (FE-AFE-PE) phase transitions. According to the x-ray diffraction analysis, the FE and PE phases were refined in the polar P4bm and centrosymmetric P4/mbm space groups. For the intermediate phase, the structure is refined in the space group P4nc with doubling of the c unit cell parameter, which is compatible with an AFE phase. This result was confirmed by Raman spectroscopy since new low-frequency lines are activated in the AFE phase due to the Brillouin zone-folding effect, typical for the modulated phases. The presence of the AFE phase between the FE and PE phases and the complex nature of tetragonal tungsten bronze crystal structure can explain the large thermal hysteresis observed at the FE-AFE transition between heating and cooling cycle and the strong depression of the Curie-Weiss temperature T{sub 0}. The semi-phenomenological Ising-like model based on the obtained experimental data is proposed to account for the observed FE-AFE-PE transition sequence.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

X-ray diffraction study of crystalline barium titanate ceramics

In this study, BaTiO{sub 3} ceramics have been prepared via solid-state reaction method. The powders were calcined for 2 hours at different temperatures ranging from 600°C to 1200°C. Using X-ray diffraction with a Rietveld analysis, the phase formation and crystal structure of the BaTiO{sub 3} powders were studied. Change in crystallite size and tetragonality as a function of calcination temperature were also discussed. It has been found that the formation of pure perovskite phase of BaTiO{sub 3} began at calcination condition of 1000 °C for 2 hours. The crystal structure of BaTiO{sub 3} formed is in the tetragonal structure. The second phases of BaCO{sub 3} and TiO{sub 2} existed with calcination temperature below 1000 °C. Purity, crystallite size and tetragonality of BaTiO{sub 3} powders were found to increase with increasing calcination temperature.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Phase transformation in multiferroic Bi{sub 5}Ti{sub 3}FeO{sub 15} ceramics by temperature-dependent ellipsometric and Raman spectra: An interband electronic transition evidence

Thermal evolution and an intermediate phase between ferroelectric orthorhombic and paraelectric tetragonal phase of multiferroic Bi{sub 5}Ti{sub 3}FeO{sub 15} ceramic have been investigated by temperature-dependent spectroscopic ellipsometry and Raman scattering. Dielectric functions and interband transitions extracted from the standard critical-point model show two dramatic anomalies in the temperature range of 200–873 K. It was found that the anomalous temperature dependence of electronic transition energies and Raman mode frequencies around 800 K can be ascribed to intermediate phase transformation. Moreover, the disappearance of electronic transition around 3 eV at 590 K is associated with the conductive property.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Effects of oxygen vacancies on dielectric, electrical, and ferroelectric properties of Ba{sub 4}Nd{sub 2}Fe{sub 2}Nb{sub 8}O{sub 30} ceramics

Effects of oxygen vacancies on the dielectric, electrical, and ferroelectric properties of Ba{sub 4}Nd{sub 2}Fe{sub 2}Nb{sub 8}O{sub 30} ceramics were investigated. A dielectric relaxation above T{sub c} can be ascribed to the trap-controlled ac conduction around doubly ionized oxygen vacancies. The dc conductivity of the N{sub 2}-annealed and O{sub 2}-annealed samples is attributed to the long-range motion of the V{sub o}{sup ⋅⋅}, and that of the as-sintered sample is considered to be governed by the electronic and oxygen-vacancy ionic mixed conduction mechanism. Low concentration and random distributed oxygen vacancies are propitious to the domain switching, while high concentration and allied oxygen defects hinder the domain-wall movement.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

First-principle calculation and assignment for vibrational spectra of Ba(Mg{sub 1/3}Nb{sub 2/3})O{sub 3} microwave dielectric ceramic

1:2 B-site cation ordered Ba(Mg{sub 1/3}Nb{sub 2/3})O{sub 3} ceramic was synthesized using conventional solid-state reaction at 1600 °C for 12 h. The structure parameters were obtained through Rietveld refinement of X-ray diffraction data. The Raman peak frequencies were obtained by Lorenz fitting on Raman spectrum. Four-parameter semiquantum model was used to fit the infrared (IR) reflectivity spectrum, and the fitted parameters were used to calculate the dielectric permittivity ε and dielectric loss tanδ. A total of 9 active Raman and 16 active IR modes were obtained using first-principle calculations based on density functional theory with local density approximation. All of the vibrational modes were assigned and represented by linear combinations of the symmetry coordinates deduced using group theory analysis. The Raman mode with the highest frequency A{sub 1g}{sup (4)} (789 cm{sup −1}) can be described as the breathing vibration of NbO{sub 6}. The IR modes E{sub u}{sup (1)} (149 cm{sup −1}) and A{sub 2u}{sup (2)} (212 cm{sup −1}), which can be described as the twisting vibrations of Ba–MgO{sub 6}/Ba–NbO{sub 6} on the a–b plane and the stretching vibrations of Ba–MgO{sub 6}/Ba–NbO{sub 6} along the c direction, respectively, are the dominant contributing modes to ε and tanδ. The dielectric property parameters obtained using IR spectrum fittings, first-principal calculations, and microwave measurements were compared.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Spin-phonon interactions of multiferroic Bi{sub 4}Ti{sub 3}O{sub 12}-BiFeO{sub 3} ceramics: Low-temperature Raman scattering and infrared reflectance spectra investigations

Optical phonons of multiferroic Bi{sub 4}Ti{sub 3}O{sub 12}-BiFeO{sub 3} ceramic have been investigated by low temperature Raman scattering and infrared reflectance spectra. Anomalies at about 85 K can be observed from the temperature dependence of the Raman and infrared modes, which arise from spin-phonon interaction during antiferromagnetic to paramagnetic phase transition. It was found that the change of exchange interaction in magnetic phase transition can be induced by Fe-O-Fe octahedral tilting driven from the A-site atoms. Moreover, ferroelectricity-related displacement of Bismuth atoms suggests the coupling of magnetic and ferroelectric orders.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Role of point defects in bipolar fatigue behavior of Bi(Mg{sub 1/2}Ti{sub 1/2})O{sub 3} modified (Bi{sub 1/2}K{sub 1/2})TiO{sub 3}-(Bi{sub 1/2}Na{sub 1/2})TiO{sub 3} relaxor ceramics

Lead-free Bi(Mg{sub 1/2}Ti{sub 1/2})O{sub 3}-(Bi{sub 1/2}K{sub 1/2})TiO{sub 3}-(Bi{sub 1/2}Na{sub 1/2})TiO{sub 3} (BMT-BKT-BNT) ceramics have been shown to exhibit large electromechanical strains under high electric fields along with negligible fatigue under strong electric fields. To investigate the role of point defects on the fatigue characteristics, the composition 5BMT-40BKT-55BNT was doped to incorporate acceptor and donor defects on the A and B sites by adjusting the Bi/Na and Ti/Mg stoichiometries. All samples had pseudo-cubic symmetries based on x-ray diffraction, typical of relaxors. Dielectric measurements showed that the high and low temperature phase transitions were largely unaffected by doping. Acceptor doping resulted in the observation of a typical ferroelectric-like polarization with a remnant polarization and strain hysteresis loops with significant negative strain. Donor-doped compositions exhibited characteristics that were indicative of an ergodic relaxor phase. Fatigue measurements were carried out on all of the compositions. While the A-site acceptor-doped composition showed a small degradation in maximum strain after 10{sup 6} cycles, the other compositions were essentially fatigue free. Impedance measurements were used to identify the important conduction mechanisms in these compositions. As expected, the presence of defects did not strongly influence the fatigue behavior in donor-doped compositions owing to the nature of their reversible field-induced phase transformation. Even for the acceptor-doped compositions, which had stable domains in the absence of an electric field at room temperature, there was negligible degradation in the maximum strain due to fatigue. This suggests that either the defects introduced through stoichiometric variations do not play a prominent role in fatigue in these systems or it is compensated by factors like decrease in coercive field, an increase in ergodicity, symmetry change, or other factors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Synthesis, electrical and thermal properties of Bi{sub 4}V{sub 2−x}Y{sub x}O{sub 11} (x=0.0 and 0.10) ceramics

Polycrystalline ceramic samples of Bi{sub 4}V{sub 2−x}Y{sub x}O{sub 11} (x=0.0 and 0.10) have been synthesized by standard solid state reaction method. The formation of the compounds has been verified by room temperature (RT) X-ray diffraction. The frequency and temperature dependent dielectric constant of both the compounds have been measured. The dielectric studies indicate that the materials are highly lossy. The dc conductivity of the materials has been measured as a function of temperature from RT to 653K and their activation energies were calculated using Arrhenius relation σ = σ{sub o}exp(-Ea/kT). The specific heat and heat flow of both the compounds were determined as a function of temperature using Modulated Differential Scanning Calorimetry (MDSC)

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Extrinsic mechanism for giant dielectric response in Ba{sub 0.70}Sr{sub 0.30}(Fe{sub 0.5}Nb{sub 0.5})O{sub 3} ceramic

To obtain the high dielectric constant, the effect of sintering process on the electrical properties of Ba{sub 0.70}Sr{sub 0.30}(Fe{sub 0.5}Nb{sub 0.5})O{sub 3} ceramics were investigated. X-ray diffraction pattern of the samples at room temperature shows a monoclinic structure. Microstructure analysis shows well-grown and dense microstructure in all the samples. We found giant dielectric constant (∼3.59 × 10{sup 5}) with low dielectric loss (∼0.49) at room temperature for 2 hr sintered sample at 1250 °C. The extrinsic phenomena like interfacial polarization due to space charge accumulation at grain boundaries are discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Ferroelectric studies of excessive Sm{sup 3+} containing perovskite PZT and pyrochlore biphase ceramics

Polycrystalline samples of Sm{sup 3+} modified Pb{sub 1−x} Sm{sub 2x/3} (Zr{sub 0.6}Ti{sub 0.4}) O{sub 3} (PSZT) ceramics (where x = 0.1, 0.2, 0.3, 0.4) have been prepared by a high energy ball milling technique, followed by calcination at 950°C and sintering at 1150°C. As x is increased more than 0.1 mole%, considerable secondary phase has been formed. This phase has been identified as pyrochlore Sm{sub 2}Ti{sub 2}O{sub 7} from its X-ray diffraction (XRD) peaks. The XRD studies also indicate that the perovskte phases of the present systems undergo a dopant induced phase transformation from rhombohedral to tetragonal strucure. All the samples exhibit diffuse but non-relaxor type ferroelectric phase transition. The results of dielectric and hysteresis studies of these materials are presented.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Structural and dielectric properties of Ba{sub 2}LaSbO{sub 6} ceramics

The ceramic Ba{sub 2}LaSbO{sub 6} (BLS) is synthesized by the solid state reaction technique. The Rietveld refinement of X-ray diffraction pattern at room temperature shows Monoclinic P2{sub 1}/n space group symmetry with lattice parameter a = 6.0720 (0) Å, b = 6.1058 (3) Å, c = 8.6016 (6) Å and β =89.7091 ° (8). Dielectric study of sample has been performed in the temperature range from 30 °C to 300 °C in the frequency range 50 Hz to 1.1 MHz. Dielectric relaxation peaks are observed in the imaginary part of complex permittivity of the spectra. The frequency dependence of real and imaginary parts of dielectric permittivity is analyzed using Cole-Cole model. The temperature dependent relaxation time is found to obey the Arrhenius law having activation energy 0.48 eV which indicates that the conduction mechanism in the materials may be due to polaron hopping based on electron carriers. The complex plane plots of BLS shows the presence of both grain and grain boundary effects. Conductivity spectra follow the power law.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Interpretation of thermoelectric properties of Cu substituted LaCoO{sub 3} ceramics

The thermoelectric properties of LaCo{sub 1−x}Cu{sub x}O{sub 3−δ} is theoretically analyzed, it is observed that thermoelectric figure of merit ZT (=S{sup 2}σT/κ) is maximized by Cu substitution in LaCoO{sub 3} Ceramics at x=0.15. The lattice thermal conductivity and thermoelectric power were estimated by the scattering of phonons with defects, grain boundaries, electrons and phonons to evaluate the thermoelectric properties. We found that Cu substitution increase the phonon scattering with grain boundaries and defects which significantly increase the thermoelectric power and decrease the thermal conductivity. The present numerical analysis will help in designing more efficient thermoelectric materials.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Rietveld refinement and dielectric studies of Bi{sub 0.8}Ba{sub 0.2}Fe{sub 0.95}V{sub 0.05}O{sub 3} ceramic

Polycrystalline Bi{sub 0.8}Ba{sub 0.2}Fe{sub 0.95}V{sub 0.05}O{sub 3} ceramic has been prepared by the conventional solid state reaction technique. The Rietveld refinement of x-ray powder diffraction revealed that the sample has a rhombohedral crystal structure (space group R3c) with average particle size of 29 nm. The values of dielectric constant (ε′) and dielectric loss (tan δ) increases with increasing temperature at different frequencies which may be the result of increase in the number of charge carriers and their mobilities due to the thermal activation. The Jonscher’s universal power law used to analyze the ac conductivity. In the measured temperature range, the values of frequency exponent ‘s’ are less than one and shows a continous decrease which is attributed to the short range translational hopping assisted by large polaron hopping mechanisms.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Identification of crystalline elastic anisotropy in PZT ceramics from in-situ blocking stress measurements

High energy x-ray diffraction measurements of lattice strains were performed on a rhombohedral Lead Zirconate Titanate ceramic (PZT 55-45) under combinations of applied electric field and compressive stress. These measurements allow the construction of blocking stress curves for different sets of crystallographic orientations which reflect the single crystal elastic anisotropy. A micro-mechanical interpretation of the results is then proposed. Assuming cubic symmetry for the crystalline elastic stiffness tensor and isotropy for the macroscopic elastic properties, the elastic properties of the single crystal are extracted from the measured data. An anisotropy ratio close to 0.3 is found (compared to 1 for isotropic materials). The high level of anisotropy found in this work suggests that crystalline elastic anisotropy should not be neglected in the modelling of ferroelectric materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗