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Sample records for single crystal batio3

  1. Lattice distortion under an electric field in BaTiO3 piezoelectric single crystal

    International Nuclear Information System (INIS)

    Tazaki, Ryoko; Fu Desheng; Daimon, Masahiro; Koshihara, Shin-ya; Itoh, Mitsuru

    2009-01-01

    Lattice distortions under an electric field in a mono-domain of BaTiO 3 ferroelectric crystal have been detected with synchrotron x-ray radiation. The variation of the lattice constant with an electric field observed with high angle diffraction shows a linear response nature of the piezoelectric effect. When an electric field is applied along the spontaneous polarization direction, the c-axis of the lattice elongates and the a-axis of the lattice shrinks at a rate of d 33 = 149 ± 54 pm V -1 and d 31 = -82 ± 61 pm V -1 ; these represent the longitudinal and transverse piezoelectric coefficients of BaTiO 3 crystal, respectively. These results give an insight into the intrinsic piezoelectric response on the lattice scale in BaTiO 3 that has been widely used to explore high performance lead-free piezoelectric alloys.

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

    Energy Technology Data Exchange (ETDEWEB)

    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.

  3. Growth of Ca, Zr co-doped BaTiO3 lead-free ferroelectric single crystal and its room-temperature piezoelectricity

    Science.gov (United States)

    Liu, Donglin; Shim, Jaeshik; Sun, Yue; Li, Qiang; Yan, Qingfen

    2017-09-01

    Lead-free Ca, Zr co-doped BaTiO3 (BCZT) single crystal with a dimension up to 2mm×2mm×2mm was grown by a spontaneous nucleation technique using KF as the flux. The composition of the studied single crystal was defined to be Ba0.798Ca0.202Zr0.006Ti0.994O3, corresponding to a tetragonal phase at room temperature. The oriented single crystal exhibited a quasi-static piezoelectric constant of approximately 232 pC/N. The effective piezoelectric coefficient d33* of the single domain crystal obtained under a unipolar electric field of 35 kV/cm was 179 pm/V. Rayleigh analysis was used to identify the intrinsic and extrinsic contributions to the room-temperature piezoelectricity of BCZT single crystal. The extrinsic contribution was estimated up to 40% due to the irreversible domain wall movement. Furthermore a sixth-order polynomial of Landau expansion was employed to analyze the intrinsic contribution to piezoelectricity of BCZT single crystal. The large energy barriers inhibited polarization rotations, leading to the relatively low piezoelectricity.

  4. Growth of Ca, Zr co-doped BaTiO3 lead-free ferroelectric single crystal and its room-temperature piezoelectricity

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    Donglin Liu

    2017-09-01

    Full Text Available Lead-free Ca, Zr co-doped BaTiO3 (BCZT single crystal with a dimension up to 2mm×2mm×2mm was grown by a spontaneous nucleation technique using KF as the flux. The composition of the studied single crystal was defined to be Ba0.798Ca0.202Zr0.006Ti0.994O3, corresponding to a tetragonal phase at room temperature. The oriented single crystal exhibited a quasi-static piezoelectric constant of approximately 232 pC/N. The effective piezoelectric coefficient d33* of the single domain crystal obtained under a unipolar electric field of 35 kV/cm was 179 pm/V. Rayleigh analysis was used to identify the intrinsic and extrinsic contributions to the room-temperature piezoelectricity of BCZT single crystal. The extrinsic contribution was estimated up to 40% due to the irreversible domain wall movement. Furthermore a sixth-order polynomial of Landau expansion was employed to analyze the intrinsic contribution to piezoelectricity of BCZT single crystal. The large energy barriers inhibited polarization rotations, leading to the relatively low piezoelectricity.

  5. Acceptor-oxygen vacancy defect dipoles and fully coordinated defect centers in a ferroelectric perovskite lattice: Electron paramagnetic resonance analysis of Mn2+ in single crystal BaTiO3

    Science.gov (United States)

    Maier, R. A.; Pomorski, T. A.; Lenahan, P. M.; Randall, C. A.

    2015-10-01

    Defect dipoles are significant point defects in perovskite oxides as a result of their impact on oxygen vacancy dynamics. Electron paramagnetic resonance (EPR) was used to investigate the local defect structure of single crystal BaTiO3 doped with manganese. These results, along with a re-analysis of literature data, do not support the conclusion that transition metal-oxygen vacancy nearest neighbor defect dipoles ( M nT i ″ - VO • • ) × in ferroelectric BaTiO3 are majority defect centers as previously reported. Local symmetry analysis of the zero-field splitting term of the spin Hamiltonian supports the assignment of fully coordinated defect centers as opposed to defect dipoles for resonance signals at geff ˜ 2. A newly discovered defect center with g⊥ ˜ 6 is observed in the manganese doped system, and it is argued that this defect center belongs to an associated defect complex or defect dipole. This newly reported strong axial defect center, however, is present in small, minor concentrations compared to the well-known Mn2+ center with zero-field splitting of D ˜ 645 MHz. In regard to relative concentration, it is concluded that the dominant point defect related to the Mn2+ ion doped in BaTiO3 corresponds to B-site substitution with six nearest neighbor anions in octahedral coordination.

  6. Crystal orientation dependent optical transmittance and band gap of Na0.5Bi0.5TiO3-BaTiO3 single crystals

    Science.gov (United States)

    He, Chongjun; Deng, Chenguang; Wang, Jiming; Gu, Xiaorong; Wu, Tong; Zhu, Kongjun; Liu, Youwen

    2016-02-01

    Optical transmittance spectra of lead-free ferroelectric (1-x)Na0.5Bi0.5TiO3-xBaTiO3 (NBT-xBT) single crystals poled along different directions have been studied comprehensively. After poled along [001] direction, the transmittance of tetragonal NBT-8%BT crystal is about 70%, which is much higher than that of NBT-2%BT crystal with rhombohedral structure and NBT-5%BT crystal with morphotropic phase boundary (MPB) composition. However, after poled [111] direction, the transmittance of tetragonal NBT-8%BT crystal is the smallest among them. These properties are manifest in view of the crystal structure. Both direct and indirect optical energy band gaps, as well phonon energies were obtained from absorption coefficient spectra by Tauc equations. The band gaps of [001]-poled NBT-xBT crystals increase with BT content, yet the [111]-poled crystals have opposite trends.

  7. Structural transformations in (1 -x ) Na0.5Bi0.5TiO3-x BaTiO3 single crystals studied by Raman spectroscopy

    Science.gov (United States)

    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

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

    Science.gov (United States)

    2016-10-14

    KEYWORDS Ferroelectric liquid crystals; solid state ferroelectrics; FLC- nanocomposites ; surface phenomena Introduction Nematic Liquid Crystals are...FLC/ BaTiO3 nanocolloids were investigated. Similar results were obtained in [10] and [11] for FLC/BaTiO3 nanocomposites studied on non- harvested...polymer concentrations were spin coated at 3500 rpm for three minutes on the ITO coated glass plates to obtain films of different thick- ness

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

    Science.gov (United States)

    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.

  10. Effects of Nb and Sr doping on crystal structure of epitaxial BaTiO3 thin films on MgO substrates

    International Nuclear Information System (INIS)

    Kim, Yongsam; Chen, Chunhua; Saiki, Atsushi; Wakiya, Naoki; Shinozaki, Kazuo; Mizutani, Nobuyasu

    2002-01-01

    Niobium (Nb) and strontium (Sr) doped barium titanate (BT) films were deposited by radio frequency (RF) magnetron sputtering with Nb and Sr doped BT ceramic targets, respectively. The effect of Nb and Sr doping on the crystal structure of epitaxial BaTiO 3 thin films on MgO substrates was investigated. The crystal structure of the films was examined using the reciprocal space mapping measurement. All the films exhibit a cube-on-cube relation with respect to the substrates. As the amount of doped Sr increased, both of the in-plane and out-of-plane lattice constants of Sr doped BT films slowly approached the BT bulk values. On the other hand, the lattice constants of Nb doped BT films were rapidly coming close to the bulk values. These indicated that the lattices of doped BT films were relaxed as the amount of doped elements increased. In addition, Nb doping had greater influence on the relaxation of the films than Sr doping for the same content of dopant. (author)

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

    Science.gov (United States)

    2017-10-09

    tried. Among them “n- and p-type doped” BaTiO3 single crystals have been successfully fabricated . And their bi- crystals containing a twin or twist...boundary are also fabricated using diffusion bonding process of two single crystal plates. These results demonstrate that the SSCG (solid-state...or Bridgman method have critical limitations; high production cost and compositional inhomogeneity throughout the crystal. These limitations result

  12. Pulsed Laser Deposition of BaTiO3 Thin Films on Different Substrates

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    Yaodong Yang

    2010-01-01

    Full Text Available We have studied the deposition of BaTiO3 (BTO thin films on various substrates. Three representative substrates were selected from different types of material systems: (i SrTiO3 single crystals as a typical oxide, (ii Si wafers as a semiconductor, and (iii Ni foils as a magnetostrictive metal. We have compared the ferroelectric properties of BTO thin films obtained by pulsed laser deposition on these diverse substrates.

  13. DFT study of Ag and La codoped BaTiO3

    Science.gov (United States)

    Maldonado, Frank; Stashans, Arvids

    2017-03-01

    Density functional theory and generalized gradient approximation including a Hubbard-like term was used in the present work to analyse structure as well as electronic and electrical properties of Ag and La codoped BaTiO3 material. Intrinsic oxygen vacancy defect has been taken into consideration throughout the calculations. Results on atomic shifts indicate the significance of Coulomb electrostatic interaction in finding equilibrium state of the system. It is shown that the n-type electrical conductivity should be expected as a result of codoping. Computed concentrations of free-carriers manifest the advantage of codoping procedure compared to the single impurity doping in the BaTiO3 crystal. It is also shown that oxygen vacancy alone can produce the n-type conductivity.

  14. Crystallization and electrical characteristics of 0.95 (Na0.5Bi0.5)TiO3-0.05 BaTiO3 thin films under different annealing temperature and atmosphere.

    Science.gov (United States)

    Diao, Chien-Chen; Yang, Cheng-Fu; Lin, Jing-Jenn

    2011-12-01

    0.95 (Na0.5Bi0.5)TiO3-0.05 BaTiO3 +1 wt% Bi2O3 (NBT-BT3) ceramic is used as target to deposit the NBT-BT3 thin films. The excess 1wt% Bi2O3 is used to compensate the vaporization of Bi2O3 during the sintering and annealing processes. NBT-BT3 thin films are successfully deposited using radio frequency (RF) magnetron sputter method and crystallized subsequently using a conventional furnace annealing (CFA) process. The annealed process is conducted in air and in oxygen atmosphere at temperatures ranging from 600-800 degrees C for 60 min. As compared with the as-deposited NBT-BT3 thin films, the CFA-treated process has improved the grain growth and crystallization. We will show that the annealing atmosphere is the more important parameter to influence the grain growth and crystallization of NBT-BT3 thin films than the annealing temperature. The influences of CFA-treated temperature and atmosphere on the electrical characteristics of NBT-BT3 thin films, including the polarization characteristics (Pr, Ps, and Ec values), the capacitance-voltage (C-V) curves, and the leakage current density-electric field (J-E) curves, are also investigated in this study.

  15. Synthesis and characterization of BaTiO3 ferroelectric material

    International Nuclear Information System (INIS)

    Osman, K.I.

    2011-01-01

    BaTiO 3 powder was prepared at low temperatures using the solid-state reaction, starting with two different precursors; the BaCO 3 /TiO 2 and the Ba(NO 3 ) 2 /TiO 2 powder mixtures. It was found that, a single phase BaTiO 3 was formed after calcination at 750 degree C for 10 h and at 600 degree C for 6 h for the first and second mixtures, respectively. Thermal and XRD analyses were used to study the formation kinetics of BaTiO 3 . Contracting volume reaction model was found to control both reactions. The SEM of the as milled powder, TMA, TG and thermodynamics analysis have been used to propose a realistic approach describing the reaction mechanism of BaTiO 3 . Characterization and the dielectric properties of the sintered BaTiO 3 were investigated. The relative permittivity and the dielectric loss measured at room temperature and at 1 khz were 2028.5 and 0.043 for BaTiO 3 prepared from BaCO 3 /TiO 2 , while they were 1805.33 and 0.41 for BaTiO 3 prepared from Ba(NO 3 ) 2 /TiO 2 .

  16. Surfactant-assisted synthesis of BaTiO3 nanoparticles by micro-emulsion method

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    J. L. Gao

    2015-10-01

    Full Text Available Barium titanate (BaTiO3 nanoparticles were successfully synthesized by using a surfactant-assisted method. The various processing parameters, namely, th e species of surfactant, reaction temperature and micro-emusion concentration had been varied, and the effects on the micrographs and crystal structure of BaTiO3 particles had been analyzed by scanning electron microscope (SEM, transmission electron microscopy (TEM and X-ray diffraction (XRD. XRD analyses confirming the tetragonal structure of the BaTiO3 nanoparticles using hexadecyl trimethyl ammonium Bromide (CTAB or nonylphenol polyoxyethylene ether (NP-10 as surfactant. The SEM analysis showed that by changing the species of surfactant, grains with different dimensions could be synthesized. TEM analyses indicate that BaTiO3 nanoparticles with 15–20 nm in diameter were successfully synthesized.

  17. Oxygen diffusion in single crystal barium titanate.

    Science.gov (United States)

    Kessel, Markus; De Souza, Roger A; Martin, Manfred

    2015-05-21

    Oxygen diffusion in cubic, nominally undoped, (100) oriented BaTiO3 single crystals has been studied by means of (18)O2/(16)O2 isotope exchange annealing and subsequent determination of the isotope profiles in the solid by time-of-flight secondary ion mass spectrometry (ToF-SIMS). Experiments were carried out as a function of temperature 973 < T/K < 1173, at an oxygen activity of aO2 = 0.200, and as a function of oxygen activity 0.009 < aO2 < 0.900 at T = 1073 K. The oxygen isotope profiles comprise two parts: slow diffusion through a space-charge zone at the surface depleted of oxygen vacancies followed by faster diffusion in a homogeneous bulk phase. The entire isotope profile can be described by a single solution to the diffusion equation involving only three fitting parameters: the surface exchange coefficient ks*, the space-charge potential Φ0 and the bulk diffusion coefficient D*(∞). Analysis of the temperature and oxygen activity dependencies of D*(∞) and Φ0 yields a consistent picture of both the bulk and the interfacial defect chemistry of BaTiO3. Values of the oxygen vacancy diffusion coefficient DV extracted from measured D*(∞) data are compared with literature data; consequently a global expression for the vacancy diffusivity in BaTiO3 for the temperature range 466 < T/K < 1273 is obtained, with an activation enthalpy of vacancy migration, ΔHmig,V = (0.70 ± 0.04) eV.

  18. EFFECT OF Ta2O5 DOPING ON THE MICROSTRUCTURE AND DIELECTRIC PROPERTIES OF BaTiO3 BASED CERAMICS

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    Adnan Mousharraf

    2013-06-01

    Full Text Available The main focus of the research was to correlate composition and sintering parameters with the microstructure and dielectric properties of Ta2O5 doped BaTiO3 ceramics. The samples were sintered using both single and two-stage sintering techniques. Thereafter SEM and XRD techniques were used to examine the structure of the samples with a particular focus on the incorporation of Ta5+ ions into the BaTiO3 crystal lattice. The SEM analysis focused on measuring the grain size and investigating the grain size distribution of the sintered samples. Finally, the dielectric properties were analysed and the relationship between the properties and structure of the doped BaTiO3 was established. From the research it can be stated that two-stage sintering yielded the best dielectric properties. The best stable value of the room temperature dielectric constant (k of 19000 was obtained for the 1.5 mole % Ta2O5 doped BaTiO3 sample sintered at 13200C for 0hrs and 12800C for 6hrs, due to the combination of a high percent theoretical density (%TD and optimum grain size. At a temperature range of 300 to 600C, this combination of composition and sintering parameters yielded a dielectric constant in the range of 18000–19000.

  19. Solution based approaches for the morphology control of BaTiO3 particulates

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    Florentina Maxim

    2010-09-01

    Full Text Available Within the action COST 539 - ELENA our contribution was aimed at studying solution based approaches for the morphology control of BaTiO3 particulates. Initially, our kinetic analysis and systematic structural and morphological studies, demonstrated that during hydrothermal synthesis from layered titanate nanotubes (TiNTS, BaTiO3 forms via two mechanisms depending on the temperature and time. At low temperatures (90°C, “wild” type BaTiO3 dendritic particles with cubic structure were formed through a phase boundary topotactic reaction. At higher temperatures and/or for longer times time, the reaction is controlled by a dissolution precipitation mechanism and “seaweed” type BaTiO3 dendrites are formed. Our results unambiguously elucidated why TiNTs do not routinely act as templates for the formation of 1D BaTiO3.In our subsequent investigations, the effect of additives on the aqueous and hydrothermal synthesis of BaTiO3 was assessed. We reported that although the tested additives influenced the growth of BaTiO3, their behaviour varied; poly(acrylic acid (PAA adsorbed on specific crystallographic faces changing the growth kinetics and inducing the oriented attachment of the particles; poly(vinyl pyrrolidone (PVP, sodium dodecylsulfate (SDS and hydroxypropylmethylcellulose (HPMC act as growth inhibitors rather than crystal habit modifiers; and DFructose appeared to increase the activation energy for nucleation, resulting in small crystals (26 nm. Our work clearly indicates that the synthesis of 1D nanostructures of complex oxides by chemical methods is non trivial.

  20. Multiphase nanodomains in a strained BaTiO3 film on a GdScO3 substrate

    Science.gov (United States)

    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.

  1. Polarization properties and crystal structures of ferroelectric (Ba,CaTiO3 single crystals

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    Ryota Imura

    2014-01-01

    Full Text Available We have investigated the spontaneous polarization (Ps of Ba1-xCaxTiO3 (BCT by polarization hysteresis measurements using single crystals and by density functional theory (DFT calculations. Single crystals of BCT (x = 0.07 were grown by a top-seeded solution growth (TSSG method. The polarization measurements show that the crystals (x = 0.07 have a Ps of 26.0 μC/cm2, which is slightly small compared with BaTiO3 (27.3 μC/cm2. Our DFT calculations based on a supercell approach show that Ca atoms are markedly displaced cooperatively with the adjacent Ti atoms along the Ps direction. It is suggested that the CaTiO3-like octahedral rotation is constructed in the BCT supercell around the Ca atoms, which is the origin of the smaller Ps observed for the BCT crystals.

  2. Hydrothermal–galvanic couple synthesis of directionally oriented BaTiO3 thin films on TiN-coated substrates

    International Nuclear Information System (INIS)

    Yang, Chia-Jung; Tsai, Di-You; Chan, Pei-Hsuan; Wu, Chu-Tsun; Lu, Fu-Hsing

    2013-01-01

    BaTiO 3 films were synthesized on TiN-coated Si substrate below 100 °C by a hydrothermal–galvanic couple technique in barium contained alkaline solutions. X-ray diffraction and electron backscatter diffraction results show that the BaTiO 3 thin films were directionally oriented grown on the TiN/Si substrates, i.e., (111) BaTiO 3 over (111) TiN. The surface morphologies revealed that BaTiO 3 nucleated and grew over the TiN surface with a single layer. From kinetic analyses, the growth rates of BaTiO 3 films prepared by the hydrothermal–galvanic couple technique were faster than a hydrothermal method. The galvanic effects were confirmed by investigating the induced currents and energies. The galvanic currents were generated and controlled by both the dissolution of TiN and the formation of BaTiO 3 . The output electric energies increased rapidly with the reaction time and leveled off at the full coverage of BaTiO 3 . - Highlights: • Cubic BaTiO 3 films are synthesized by a hydrothermal–galvanic couple method (HT–GC). • Growth rates of BaTiO 3 films made by HT–GC are faster than a hydrothermal method. • BaTiO 3 films are directionally oriented grown on the TiN/Si substrates. • Galvanic currents are controlled by dissolution of TiN and formation of BaTiO 3

  3. Microstructure evolution and electrical characterization of Lanthanum doped Barium Titanate (BaTiO3) ceramics

    International Nuclear Information System (INIS)

    Billah, Masum; Ahmed, A.; Rahman, Md. Miftaur; Mahbub, Rubbayat; Gafur, M. A.; Bashar, M. Shahriar

    2016-01-01

    In the current work, we investigated the structural and dielectric properties of Lanthanum oxide (La 2 O 3 ) doped Barium Titanate (BaTiO 3 ) ceramics and established a correlation between them. Solid state sintering method was used to dope BaTiO 3 with 0.3, 0.5 and 0.7 mole% La 2 O 3 under different sintering parameters. The raw materials used were La 2 O 3 nano powder of ~80 nm grain size and 99.995% purity and BaTiO 3 nano powder of 100 nm grain size and 99.99% purity. Grain size distribution and morphology of fracture surface of sintered pellets were examined by Field Emission Scanning Electron Microscope and X-Ray Diffraction analysis was conducted to confirm the formation of desired crystal structure. The research result reveal that grain size and electrical properties of BaTiO 3 ceramic significantly enhanced for small amount of doping (up to 0.5 mole% La 2 O 3 ) and then decreased with increasing doping concentration. Desired grain growth (0.80-1.3 µm) and high densification (<90% theoretical density) were found by proper combination of temperature, sintering parameters and doping concentration. We found the resultant stable value of dielectric constant was 10000-12000 at 100-300 Hz in the temperature range of 30°-50° C for 0.5 mole% La 2 O 3 with corresponding shift of curie temperature around 30° C. So overall this research showed that proper La 3+ concentration can control the grain size, increase density, lower curie temperature and hence significantly improve the electrical properties of BaTiO 3 ceramics.

  4. Nanoscale symmetry fluctuations in ferroelectric barium titanate, BaTiO3.

    Science.gov (United States)

    Shao, Yu Tsun; Zuo, Jian Min

    2017-08-01

    Crystal charge density is a ground-state electronic property. In ferroelectrics, charge is strongly influenced by lattice and vice versa, leading to a range of interesting temperature-dependent physical properties. However, experimental determination of charge in ferroelectrics is challenging because of the formation of ferroelectric domains. Demonstrated here is the scanning convergent-beam electron diffraction (SCBED) technique that can be simultaneously used for imaging ferroelectric domains and identifying crystal symmetry and its fluctuations. Results from SCBED confirm the acentric tetragonal, orthorhombic and rhombohedral symmetry for the ferroelectric phases of BaTiO 3 . However, the symmetry is not homogeneous; regions of a few tens of nanometres retaining almost perfect symmetry are interspersed in regions of lower symmetry. While the observed highest symmetry is consistent with the displacive model of ferroelectric phase transitions in BaTiO 3 , the observed nanoscale symmetry fluctuations are consistent with the predictions of the order-disorder phase-transition mechanism.

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

    Science.gov (United States)

    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.

  6. Orientation dependence of magnetoelectric coefficient in 1-3-type BaTiO3/CoFe2O4

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    Jian, Gang; Shao, Hui; Zhang, Cheng; Yan, Chao; Zhao, Ning; Song, Bo; Wong, C. P.

    2018-03-01

    Orientation dependence of magnetoelectric coefficient αE33 in 1-3-type BaTiO3/CoFe2O4 composites was calculated in arbitrary directions by three-dimensional coordinate transformation method. The space distributions of pc11‧, pc12‧, e31‧ for piezoelectric phase and mc11‧, mc12‧, q31‧ for magnetic phase were obtained independently using relative experimental data and original matrices for 4mm BaTiO3 and m3m CoFe2O4. Elastic stiffness coefficients show little orientation differences, while e31‧ and q31‧ exhibit high dependence on crystal orientation, with the MAX absolute e31‧ = 2.96 C/m2 and the MAX q31‧ = 556 × 10-12 m/A are found at θ = 0° and θ = 0°, ϕ = 45°, respectively. For space distribution of αE33‧, BaTiO3||[0 0 1]/CoFe2O4||[0 0 1] combination has the maximum value which applies to both 1-3 p/m (1.485 V/A) and 1-3 m/p composites (1.529 V/A). Volume fraction is quite independent of orientations of both piezoelectric and magnetic phases and the volume fraction for magnetic phase f around 0.5 obtains the largest αE33. The results suggest an approach to significantly enhancing magnetoelectric coefficient of composite multiferroic materials through crystal orientation controls of single crystals and textured ceramics.

  7. Surface cation nonstoichiometry in undoped BaTiO3

    International Nuclear Information System (INIS)

    Zhang, Z.; Nowotny, J.; Pigram, P.J.; Lamb, R.N.

    1998-01-01

    This paper considers the effect of high temperature treatment on the local chemistry of the surface region of undoped BaTiO 3 . Segregation-induced cation nonstoichiometry has been investigated using X-ray photoelectron spectroscopy (XPS) and secondary ion mass spectrometry (SIMS). Samples were thermally treated at 1000 deg C in a tube furnace under different oxygen activities, and then cooled to room temperature at different rates. For slowly cooled samples, Ti enrichment is found in the surface region of oxidised BaTiO 3 , while less Ti segregation occurs in reduced BaTiO3. Increasing the cooling rate reduces the degree of Ti segregation, but it does not change the general behaviour of segregation in either oxidised or reduced BaTiO 3

  8. Properties of TiO2 prepared by acid treatment of BaTiO3

    International Nuclear Information System (INIS)

    Okada, Kiyoshi; Yanagisawa, Tomoki; Kameshima, Yoshikazu; Nakajima, Akira

    2007-01-01

    TiO 3 powders were prepared by acid treatment of BaTiO 3 and their properties were investigated. The BaTiO 3 powder was subjected to HNO 3 in concentrations ranging from 10 -3 to 8 M at 90 deg. C for 0.5-6 h. Dissolution of BaTiO 3 and precipitation of TiO 2 occurred at acid concentrations of 2-5 M. BaTiO 3 dissolves completely to form a clear solution at reaction times of 0.5-1 h, but a rutile precipitate is formed after 2 h of acid treatment. By contrast, anatase is precipitated by adjusting the pH of the clear solution to 2-3 using NaOH or NH 4 OH solution. The rutile crystals were small and rod-shaped, consisting of many small coherent domains connected by grain boundaries with small inclination angles and edge dislocations, giving them a high specific surface area (S BET ). With increasing HNO 3 concentration, the S BET value increased from 100 to 170 m 2 /g while the crystallite size decreased from 25 to 11 nm. The anatase crystals obtained here were very small equi-axial particles with a smaller crystallite size than the rutile and S BET values of about 270 m 2 /g (higher than the rutile samples). The photocatalytic activity of these TiO 2 was determined from the decomposition rate of Methylene Blue under ultraviolet irradiation. Higher decomposition rates were obtained with larger crystallite sizes resulting from heat treatment. The maximum decomposition rates were obtained in samples heated at 500-600 deg. C. The photocatalytic activity of the TiO 2 was found to depend more strongly on the sample crystallite size than on S BET

  9. High piezoelectric BaTiO3 nanorod bundle arrays using epitaxially grown TiO2 nanomaterials.

    Science.gov (United States)

    Jang, Seon-Min; Yang, Su Chul

    2018-03-27

    Low-dimensional piezoelectric nanostructures such as nanoparticles, nanotubes, nanowires, nanoribbons and nanosheets have been developed for potential applications of energy harvesters, tunable sensors, functional transducers and low-power actuators. In this study, lead-free BaTiO3 Nanorod Bundle Arrays (NBA) for high piezoelectric property were successfully synthesized on Fluorine-doped Tin Oxide (FTO) substrate via two-step process, consisting of TiO2 epitaxial growth and BaTiO3 conversion. Through the TiO2 epitaxial growth on FTO substrate, (001) oriented TiO2 nanostructures were formed vertically-aligned NBA with bundle diameter of 80 nm and aspect ratio of 6. In particular, chemical etching of TiO2 NBA was conducted to enlarge surface area for effective Ba2+ ion diffusion during perovskite conversion process from TiO2 to BaTiO3. Final structure of perovskite BaTiO3 NBA was found to exhibit feasible piezoelectric response of 3.56 nm with clear phase change of 180o from single BaTiO3 bundle by point Piezoelectric Forced Microscopy (PFM) analysis. Consequently, high piezoelectric NBA can be a promising nanostructure for various nano-scale electronic devices. © 2018 IOP Publishing Ltd.

  10. Giant Strain and Induced Ferroelectricity in Amorphous BaTiO3 Films under Poling

    Directory of Open Access Journals (Sweden)

    Pegah Mirzadeh Vaghefi

    2017-09-01

    Full Text Available We report an effect of giant surface modification of a 5.6 nm thick BaTiO3 film grown on Si (100 substrate under poling by conductive tip of a scanning probe microscope (SPM. The surface can be locally elevated by about 9 nm under −20 V applied during scanning, resulting in the maximum strain of 160%. The threshold voltage for the surface modification is about 12 V. The modified topography is stable enough with time and slowly decays after poling with the rate ~0.02 nm/min. Strong vertical piezoresponse after poling is observed, too. Combined measurements by SPM and piezoresponse force microscopy (PFM prove that the poled material develops high ferroelectric polarization that cannot be switched back even under an oppositely oriented electric field. The topography modification is hypothesized to be due to a strong Joule heating and concomitant interface reaction between underlying Si and BaTiO3. The top layer is supposed to become ferroelectric as a result of local crystallization of amorphous BaTiO3. This work opens up new possibilities to form nanoscale ferroelectric structures useful for various applications.

  11. Microwave-Hydrothermal Synthesis and Characterization of High-Purity Nb Doped BaTiO3 Nanocrystals

    Directory of Open Access Journals (Sweden)

    A. Khanfekr

    2014-01-01

    Full Text Available The synthesis of Nb doped BaTiO3 has been investigated under Microwave-Hydrothermal (MH conditions in the temperature of 150°C for only 2 h using C16H36O4Ti, BaH2O2.8H2O and NbCl5 as Ba, Ti and  Nb sources, respectively.  Typical experiments performed on MH processing have not yet reported for Nb doped BaTiO3.  In the MH process, the formation of high purity nano tetragonal Nb-BaTiO3 was strongly enhanced. New hydrothermal method was used instead of the previous solid state reaction for the BaTiO3±Nb2O3 system. The new method uses high pressure to create nano dimension particles in a lower time and temperature. In case of the phase evolution studies, the XRD pattern measurements and Raman spectroscopy were performed. TEM and FE-SEM images were taken for the detailed analysis of the particle size, surface and morphology.  Synthesis of Nb doped BaTiO3 with the Microwave-hydrothermal provides an advantage of fast crystallization and reduced crystal size when compared to existing methods.

  12. Transformation of barium-titanium chloro-alkoxide compound to BaTiO3 nanoparticles by BaCl2 elimination.

    Science.gov (United States)

    Kosińska-Klähn, Magdalena; John, Łukasz; Drąg-Jarząbek, Anna; Utko, Józef; Petrus, Rafał; Jerzykiewicz, Lucjan B; Sobota, Piotr

    2014-02-03

    In this Article, we present how the molecular precursor of binary oxide material having an excess of alkali earth metal can be transformed to the highly phase pure BaTiO3 perovskite. Here, we synthesized and compared two barium-titanium complexes with and without chloride ligands to determine the influences of different ligands on the phase purity of binary oxide nanoparticles. We prepared two barium-titanium complexes, i.e., [Ba4Ti2(μ6-O)(OCH2CH2OCH3)10(HOCH2CH2OCH3)2(HOOCCPh3)4] (1) and [Ba4Ti2(μ6-O)(μ3,η2-OCH2CH2OCH3)8(μ-OCH2CH2OCH3)2(μ-HOCH2CH2OCH3)4Cl4] (2). The barium-titanium precursors were characterized using elemental analysis, infrared and nuclear magnetic resonance spectroscopies, and single-crystal X-ray structural analysis, and their thermal decomposition products were compared. The complex 1 decomposed at 800 °C to give a mixture of BaTiO3 and Ba2TiO4, whereas 2 gave a BaCl2/BaTiO3 mixture. Particles of submicrometer size (30-50 nm) were obtained after leaching of BaCl2 from the raw powder using deionized water. Preliminary studies of barium titanate doped with Eu(3+) sintered at 900 °C showed that the dominant luminescence band arose from the strong electric dipole transition, (5)D0-(7)F2.

  13. Structural and electrical properties of barium titanate (BaTiO3 thin films obtained by spray pyrolysis method

    Directory of Open Access Journals (Sweden)

    Kumbhar S.S.

    2015-12-01

    Full Text Available Barium titanate (BaTiO3 thin films have been prepared using the spray pyrolysis method. The films were deposited onto a glass substrate at varying substrate temperature ranging from 250 to 350 °C with the interval of 50 °C. The structural, morphological, electrical and dielectric properties of the deposited films have been studied. The X-ray diffraction pattern confirmed the polycrystalline nature of the films with a cubic crystal structure. X-ray photoelectron spectroscopy (XPS showed a good agreement of the thin films stoichiometry with BaTiO3. A presence of Ba, Ti and O in the BaTiO3 thin films was observed by energy dispersive X-ray analysis. The scanning electron microscopy (SEM showed the heterogeneous distribution of cubical grains all over the substrate. The grain size decreased with an increase in substrate temperature. The dielectric constant and dielectric loss showed the dispersion behaviour as a function of frequency, measured in the frequency range of 20 Hz to 1 MHz. The AC conductivity (σac measurement showed the linear nature of obtained films, which confirms conduction mechanism due to small polarons. Impedance spectroscopy has been used to study the electrical behaviour of BaTiO3 ferroelectric thin films. The ferroelectric hysteresis loop has been recorded at room temperature.

  14. A study on the damping capacity of BaTiO3-reinforced Al-matrix ...

    Indian Academy of Sciences (India)

    To study the damping capacity of BaTiO 3 /Al composites, Al composites reinforced with BaTiO 3 powder (average grain sizes: 100 and 1000 nm) were fabricated by the hot-pressing sintering method. The damping properties of pure Al and BaTiO 3 /Al composites were investigated and compared based on the dynamic ...

  15. Growth of BaTiO3-PVDF composite thick films by using aerosol deposition

    Science.gov (United States)

    Cho, Sung Hwan; Yoon, Young Joon

    2016-01-01

    Barium titanate (BaTiO3)-polyvinylidene fluoride (PVDF) composite thick films were grown by using aerosol deposition at room temperature with BaTiO3 and PVDF powders. To produce a uniform composition in ceramic and polymer composite films, which show a substantial difference in specific gravity, we used PVDF-coated BaTiO3 powders as the starting materials. An examination of the microstructure confirmed that the BaTiO3 were well distributed in the PVDF matrix in the form of a 0 - 3 compound. The crystallite size in the BaTiO3-PVDF composite thick films was 5 ˜ 50 times higher than that in pure BaTiO3 thick films. PVDF plays a role in suppressing the fragmentation of BaTiO3 powder during the aerosol deposition process and in controlling the relative permittivity.

  16. Synthesis of BaTiO3 nanoparticles from TiO2-coated BaCO3 particles derived using a wet-chemical method

    Directory of Open Access Journals (Sweden)

    Yuuki Mochizuki

    2014-03-01

    Full Text Available BaCO3 particles coated with amorphous TiO2 precursor are prepared by a wet chemical method to produce BaTiO3 nanoparticles at low temperatures. Subsequently, we investigate the formation behavior of BaTiO3 particles and the particle growth behavior when the precursor is subjected to heat treatment. The state of the amorphous TiO2 coating on the surface of BaCO3 particles depends on the concentration of NH4HCO3, and the optimum concentration is found to be in the range 0.5–1.0 M. Thermogravimetric curves of the BaCO3 particles coated with the TiO2 precursor, prepared from BaCO3 particles of various sizes, show BaTiO3 formation occurring mainly at 550–650 °C in the case of fine BaCO3 particles. However, as evidenced from the curves, the temperature of formation of BaTiO3 shifts to higher values with an increase in the size of the BaCO3 particles. The average particle size of single phase BaTiO3 at heat-treatment temperature of 650–900 °C is observed to be in the range 60–250 nm.

  17. Ultrathin BaTiO3 templates for multiferroic nanostructures

    OpenAIRE

    Chen, Xumin; Yang, Seolun; Kim, Ji-Hyun; Kim, Hyung-Do; Kim, Jae-Sung; Rojas, Geoffrey; Skomski, Ralph; Lu, Haidong; Bhattacharya, Anand; Santos, Tiffany; Guisinger, Nathan; Bode, Matthias; Gruverman, Alexei; Enders, Axel

    2011-01-01

    Structural, electronic and dielectric properties of high-quality ultrathin BaTiO3 films are investigated. The films, which are grown by ozone-assisted molecular beam epitaxy on Nb-doped SrTiO3 (001) substrates and having thicknesses as thin 8 unit cells (3.2 nm), are unreconstructed and atomically smooth with large crystalline terraces. A strain-driven transition to 3D island formation is observed for films of of 13 unit cells thickness (5.2 nm). The high structural quality of the surfaces, t...

  18. Phase stabilization in plasma sprayed BaTiO3

    Czech Academy of Sciences Publication Activity Database

    Ctibor, Pavel; Seiner, Hanuš; Sedláček, J.; Pala, Zdeněk; Vaněk, Přemysl

    2013-01-01

    Roč. 39, č. 5 (2013), s. 5039-5048 ISSN 0272-8842 R&D Projects: GA ČR(CZ) GA101/09/0702 Institutional support: RVO:61389021 ; RVO:61388998 ; RVO:68378271 Keywords : Spectroscopy * BaTiO3 * Plasma spraying * Spark plasma sintering Subject RIV: JH - Ceramics, Fire-Resistant Materials and Glass; BJ - Thermodynamics (UT-L); JH - Ceramics, Fire-Resistant Materials and Glass (FZU-D) Impact factor: 2.086, year: 2013 http://www.sciencedirect.com/science/article/pii/S0272884212013582

  19. Strain and electric field mediated manipulation of magnetism in La(1-x)SrxMnO3/BaTiO3 heterostructures

    International Nuclear Information System (INIS)

    Schmitz, Markus

    2016-01-01

    Heterostructures of ferromagnetic La 1-x Sr x MnO 3 (LSMO) and ferroelectric BaTiO 3 (BTO) were produced and investigated for their structural and magnetic properties. The combination of these ferroic properties can lead to an artificial multiferroic. Special emphasis was given to the manipulation of magnetic properties by applying electric fields. A magneto-electric coupling could be observed in the heterostructures under investigation. Epitaxial LSMO thin films were grown on BTO substrates using a state-of-the-art oxide molecular beam epitaxy (OMBE) and a high oxygen sputtering system (HOPSS). Stoichiometric La 1-x Sr x MnO 3 films with doping levels of x=0.5 and x=0.3 were produced. The film quality in terms of roughness and crystalline structure was confirmed by X-ray scattering methods. The presence of structural domains in the BaTiO 3 single crystal substrate, whose proportion could be altered due to the application of electric fields, was shown by X-ray diffraction. Tensile strain is induced into the epitaxial La 1-x Sr x MnO 3 films in the whole temperature range under investigation. The magnetization of LSMO alteres by the variation of strain induced into the film, generated by the different structural phases of single crystal BaTiO 3 substrates. The magnetization shows sharp steps at the structural phase transition temperatures of BTO. The evaluation of magnetic hysteresis loops reveals a change of the magnetic anisotropy of LSMO for each structural phase of BTO, but also within the orthorhombic phase. Special focus was given to the manipulation of magnetic properties by the application of electric fields. A newly established measurement option was used to determine the magnetic response to an applied electric field as a function of temperature and magnetic field. The electrically induced modification of the magnetization is profound near the structural phase transition temperatures. Electrical hysteresis loops give a detailed view on the influence of the

  20. Microstructural properties of BaTiO3 ceramics and thin films

    International Nuclear Information System (INIS)

    Fundora C, A.; Portelles, J.J.; Siqueiros, J.M.

    2000-01-01

    A microstructural study of BaTiO 3 ceramics obtained by the conventional ceramic method is presented. Targets were produced to grow BaTiO 3 thin films by pulsed laser deposition on Pt/Ti/Si (100) substrates. X-ray diffraction, Auger Electron Spectroscopy, X-ray Photon Spectroscopy and Scanning Electron Microscopy were used to study the properties of the BaTiO 3 ceramic samples and thin films, as deposited and after an annealing process. (Author)

  1. Nanostructural evolution of one-dimensional BaTiO3 structures by hydrothermal conversion of vertically aligned TiO2 nanotubes

    Science.gov (United States)

    Muñoz-Tabares, J. A.; Bejtka, K.; Lamberti, A.; Garino, N.; Bianco, S.; Quaglio, M.; Pirri, C. F.; Chiodoni, A.

    2016-03-01

    The use of TiO2 nanotube (NT) arrays as templates for hydrothermal conversion of one-dimensional barium titanate (BaTiO3) structures is considered a promising synthesis approach, even though the formation mechanisms are not yet fully understood. Herein we report a nanostructural study by means of XRD and (HR)TEM of high aspect ratio TiO2-NTs hydrothermally converted into BaTiO3. The nanostructure shows two different and well-defined regions: at the top the conversion involves complete dissolution of NTs and subsequent precipitation of BaTiO3 crystals by homogeneous nucleation, followed by the growth of dendritic structures by aggregation and oriented attachment mechanisms. Instead, at the bottom, the low liquid/solid ratio, due to the limited amount of Ba solution that infiltrates the NTs, leads to the rapid crystallization of such a solution into BaTiO3, thus allowing the NTs to act as a template for the formation of highly oriented one-dimensional nanostructures. The in-depth analysis of the structural transformations that take place during the formation of the rod-like arrays of BaTiO3 could help elucidate the conversion mechanism, thus paving the way for the optimization of the synthesis process in view of new applications in energy harvesting devices, where easy and low temperature processing, controlled composition, morphology and functional properties are required.The use of TiO2 nanotube (NT) arrays as templates for hydrothermal conversion of one-dimensional barium titanate (BaTiO3) structures is considered a promising synthesis approach, even though the formation mechanisms are not yet fully understood. Herein we report a nanostructural study by means of XRD and (HR)TEM of high aspect ratio TiO2-NTs hydrothermally converted into BaTiO3. The nanostructure shows two different and well-defined regions: at the top the conversion involves complete dissolution of NTs and subsequent precipitation of BaTiO3 crystals by homogeneous nucleation, followed by the

  2. Epitaxial growth of BaTiO3 thin films by plasma-enhanced metalorganic chemical vapor deposition

    Science.gov (United States)

    Chern, C. S.; Zhao, J.; Luo, L.; Lu, P.; Li, Y. Q.; Norris, P.; Kear, B.; Cosandey, F.; Maggiore, C. J.; Gallois, B.; Wilkens, B. J.

    1992-03-01

    High-quality BaTiO3 thin films have been epitaxially grown on (001) LaAlO3 and (001) NdGaO3 substrates by plasma-enhanced metalorganic chemical vapor deposition at a substrate temperature of 680 °C. X-ray diffraction θ-2θ, ω, and φ scan results all indicate that single-crystalline BaTiO3 thin films were epitaxially grown on the substrates with orientation perpendicular to the substrates. The high degree of epitaxial crystallinity is further confirmed by Rutherford backscattering spectrometry which gives a minimum yield of 7.5% and 11% for films deposited on LaAlO3 and NdGaO3, respectively. Cross-section high-resolution electron microscopy images also showed that the layer epitaxy of BaTiO3 was characterized by an atomically abrupt film/substrate interface. Scanning electron micrographs showed that these films had very smooth surface morphologies.

  3. Characterization, dielectric and electrical behaviour of BaTiO3 ...

    Indian Academy of Sciences (India)

    Administrator

    7600F, Jeol) was used ... CO2 absorbed in BaTiO3 during condensation from air. 3.2 XRD analysis. Figure 1 shows the XRD pattern of .... The OH, CO2 and CO3 peaks were reduced in the sam- ple of BaTiO3 when calcined at 600 and 800 °C. The ...

  4. Microemulsion mediated synthesis of BaTiO3 – Ag nanocomposites

    Directory of Open Access Journals (Sweden)

    Songhak Yoon

    2009-06-01

    Full Text Available BaTiO3 – Ag composite nanopowders were synthesized via microemulsion mediated synthesis through the hydrolytic decomposition of mixed metal alkoxide solutions as precursor for the BaTiO3 and the reduction of silver nitrate in the presence of polyvinylpyrrolidone (PVP as source for the Ag nanoparticles. The X-ray diffraction (XRD patterns indicate that BaTiO3 and Ag phases were successfully synthesized in the composite powders. Scanning electron microscopy (SEM and transmission electron microscopy (TEM show that the synthesized BaTiO3 nanoparticles were aggregates of nanosized primary particles as small as 10 nm in diameter and the average particle size of nanocrystalline Ag was about 100 nm. Calcination and sintering studies reveal that there exists a difference in the sintering behaviour of BaTiO3 and Ag in the composite nanopowders. Thermogravimetric analysis (TGA shows weight losses due to the burnout of organic residues arising from the synthesis, the release of water from the surface and separation of hydroxyl ions from the lattice of BaTiO3 nanoparticles. A dilatometric study of BaTiO3-Ag composite confi rmed a strong difference in the shrinkage behaviour compared to that of the pure BaTiO3 obtained by microemulsion mediated synthesis.

  5. Characterization of BaTiO3 piezoelectric perovskite material for ...

    Indian Academy of Sciences (India)

    2017-07-28

    Jul 28, 2017 ... properties with decreasing size of barium titanate particles to closely follow the magnetic analogue. Pure BaTiO3 exhibits a great change in dielectric con- stant close to the transition temperature [7]. To modify the properties and to widen the number of potential applications the BaTiO3 is doped with ...

  6. Grain-size effects on thermal properties of BaTiO3 ceramics

    Indian Academy of Sciences (India)

    Administrator

    Grain-size effects on thermal properties of BaTiO3 ceramics. C J XIAO*, Z X LI and X R DENG. Department of Materials Science and Engineering, Henan University of Technology, Zhengzhou, China. MS received 5 January 2010. Abstract. Dense nanocrystalline BaTiO3 ceramics are successfully prepared by the high ...

  7. Nucleation control and inhibition of BaTiO3 films using hydrothermal-electrochemical method

    International Nuclear Information System (INIS)

    Escobar, Ivan; Silva, Carmen; Silva, Eric; Vargas, Tomas; Fuenzalida, Victor

    1999-01-01

    The microstructure of BaTiO 3 films on titanium by the hydrothermal-electrochemical method was investigated using a three electrode high pressure electrochemical cell in a 0.2 M Ba(OH) 2 electrolyte at 150 0 C. The spontaneous initial linked to pure hydrothermal BaTiO 3 formation can be inhibited by cathodically protecting titanium electrode since its immersion in the electrolyte. The application of initial nucleation pulses of varying the cathodic potentials affected the grain size of the deposit. It is suggested that the formation of a titanium oxide layers is a necessary step previous to the nucleation of BaTiO 3

  8. Mechanism(s) for the suppression of the switchable polarization in PZT and BaTiO3

    Science.gov (United States)

    Warren, William L.; Dimos, Duane; Tuttle, Bruce A.; Pike, Gordon E.; Raymond, Mark V.; Nasby, Robert D.; Ramesh, R.; Evans, Joseph T., Jr.

    Switchable polarization can be significantly suppressed in ferroelectric (FE) materials by optical, thermal, and electrical processes. The thermal process can occur by either annealing the FE in a reducing environment or by heating it in air to 100 C while impressing a bias near the switching threshold. The optical process occurs while biasing the FE near the switching threshold and illuminating with bandgap light. And the electrical suppression effect occurs by subjecting the FE to repeated polarization reversals. Using electron paramagnetic resonance, polarization-voltage measurements, and charge injection scenarios, the authors have been able to elucidate both electronic and ionic trapping effects that lead to a suppression in the amount of switchable polarization in FE materials. The relative roles of electronic and ionic effects in the same material can depend on the stress condition. For instance, in oxidized BaTiO3 crystals, optical and thermal suppressions occur by electronic domain pinning; electrical fatigue in the BaTiO3 crystals also appears to involve electronic charge trapping, however, it is suggested that these electronic traps are further stabilized by nearby ionic defects. In sol-gel PZT thin films with either Pt, RuO2, or La-Sr-Co-O electrodes it appears that the polarization suppression induced by electrical fatigue, a temperature/bias combination, or a light/bias combination are all primarily due to the trapping of electronic charge carriers to first order.

  9. Formation and Photocatalytic Activity of BaTiO3 Nanocubes via Hydrothermal Process

    Directory of Open Access Journals (Sweden)

    Xinrun Xiong

    2015-01-01

    Full Text Available We reported a facile hydrothermal approach to synthesize BaTiO3 nanocubes with controlled sizes for degradation of methylene blue (MB. The nanocubes with reaction time of 48 hours exhibited the highest photocatalytic efficiency, owing to their narrower size distribution and better crystallinity compared to those of 24 hours and, at the meantime, smaller particle size than those of 72 hours. This work also demonstrated the degradation of methylene orange (MO using BaTiO3 nanocubes synthesized for 48 hours. Compared with the removal of MB, BaTiO3 had lower photocatalytic activity on MO, mainly due to the poorer absorption behavior of MO on the surface of BaTiO3 nanocubes. The degradation efficiency for each photocatalytic reaction was calculated. The possible mechanism of the photocatalytic decomposition on MB has been addressed as well.

  10. Synthesis of BaTiO3 powder from barium titanyl oxalate (BTO ...

    Indian Academy of Sciences (India)

    Unknown

    Abstract. Cubic barium titanate (BaTiO3) powder was synthesized by heating barium titanyl oxalate hydrate,. BaTiO(C2O4)2⋅4H2O (BTO) precursor in microwave heating system in air at 500°C. Heating BTO in micro- wave above 600°C yielded tetragonal form of BaTiO3. Experiments repeated in silicon carbide furnace ...

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

    Science.gov (United States)

    2017-02-06

    AFRL-RX-WP-JA-2016-0197 MOLECULAR CATALYSIS AT POLARIZED INTERFACES CREATED BY FERROELECTRIC BaTiO3 (POSTPRINT) Eugene S. Beh, Xiaofeng Feng, and...TITLE AND SUBTITLE MOLECULAR CATALYSIS AT POLARIZED INTERFACES CREATED BY FERROELECTRIC BaTiO3 (POSTPRINT) 5a. CONTRACT NUMBER FA8650-09-D-5434...way to inves- tigate and exploit the effects of interfacial polarization on catalysis . Acknowledgements We thank the Air Force Office of Scientic

  12. Synthesis of BaTiO3 powder from barium titanyl oxalate (BTO ...

    Indian Academy of Sciences (India)

    Unknown

    the synthesis of BaTiO3 from the mixture of barium car- bonate and titanium dioxide employing microwave heat- ing. They observed that hypostoichiometric TiO2 (TiO2–x) reacted with BaCO3 in the presence of microwave field at temperature as low as 350°C to give the mixture of hexa- gonal and tetragonal forms of BaTiO3 ...

  13. Atomistic description for temperature-driven phase transitions in BaTiO3

    Science.gov (United States)

    Qi, Y.; Liu, S.; Grinberg, I.; Rappe, A. M.

    2016-10-01

    Barium titanate (BaTiO3) is a prototypical ferroelectric perovskite that undergoes the rhombohedral-orthorhombic-tetragonal-cubic phase transitions as the temperature increases. In this paper, we develop a classical interatomic potential for BaTiO3 within the framework of the bond-valence theory. The force field is parametrized from first-principles results, enabling accurate large-scale molecular dynamics (MD) simulations at finite temperatures. Our model potential for BaTiO3 reproduces the temperature-driven phase transitions in isobaric-isothermal ensemble (N P T ) MD simulations. This potential allows for the analysis of BaTiO3 structures with atomic resolution. By analyzing the local displacements of Ti atoms, we demonstrate that the phase transitions of BaTiO3 exhibit a mix of order-disorder and displacive characters. Besides, from a detailed observation of structural dynamics during phase transition, we discover that the global phase transition is associated with changes in the equilibrium value and fluctuations of each polarization component, including the ones already averaging to zero, Contrary to the conventional understanding that temperature increase generally causes bond-softening transition, the x -polarization component (the one which is polar in both the orthorhombic and the tetragonal phases) exhibits a bond-hardening character during the orthorhombic-to-tetragonal transition. These results provide further insight about the temperature-driven phase transitions in BaTiO3.

  14. Wet routes of high purity BaTiO3 nanopowders

    International Nuclear Information System (INIS)

    Wang Liqiu; Liu Liang; Xue Dongfeng; Kang Hongmin; Liu Changhou

    2007-01-01

    High purity BaTiO 3 nanopowders were prepared in wet routes through stearic acid gel (SAG) and acetic acid gel (AAG) techniques, respectively. BaTiO 3 samples were characterized by X-ray diffraction, transmission electron microscope, Fourier transform infrared spectrometry, X-ray fluorescence spectrometry, and thermal gravimetric analysis. The present results indicate that both methods have a similar reaction process during calcination, while BaTiO 3 crystallites were initially formed at 550 deg. C by SAG and 800 deg. C by AAG. Both methods could produce BaTiO 3 powders with a cubic perovskite structure, while they had different grain size distributions within 25-50 nm for SAG and 50-80 nm for AAG. BaTiO 3 samples prepared by SAG had a lower agglomeration than those by AAG. SAG has shown many distinctive advantages in the preparation of high purity BaTiO 3 nanopowders, without Ba and Ti losses and hazardous wastes

  15. Probing the Metal-Insulator Transition in BaTiO3 by Electrostatic Doping

    Science.gov (United States)

    Raghavan, Santosh; Zhang, Jack Y.; Shoron, Omor F.; Stemmer, Susanne

    2016-07-01

    The metal-to-insulator transition in BaTiO3 is investigated using electrostatic doping, which avoids effects from disorder and strain that would accompany chemical doping. SmTiO3/BaTiO3/SrTiO3 heterostructures are doped with a constant sheet carrier density of 3 ×1014 cm-2 that is introduced via the polar SmTiO3/BaTiO3 interface. Below a critical BaTiO3 thickness, the structures exhibit metallic behavior with high carrier mobilities at low temperatures, similar to SmTiO3/SrTiO3 interfaces. Above this thickness, data indicate that the BaTiO3 layer becomes ferroelectric. The BaTiO3 lattice parameters increase to a value consistent with a strained, tetragonal unit cell, the structures are insulating below ˜125 K , and the mobility drops by more than an order of magnitude, indicating self-trapping of carriers. The results shed light on the interplay between charge carriers and ferroelectricity.

  16. Properties of polycarbonate containing BaTiO3 nanoparticles

    Science.gov (United States)

    Lomax, J. F.; Fontanella, J. J.; Edmondson, C. A.; Wintersgill, M. C.; Wolak, M. A.; Westgate, M. A.; Lomax, E. A.; Lomax, P. Q.; Bogle, X.; Rúa, A.; Greenbaum, S. G.

    2014-03-01

    The real part of the relative permittivity, ɛ', and dielectric loss, tan δ, have been determined at audio frequencies at temperatures from about 5 K to 350 K for nano-composites composed of BaTiO3 nanoparticles and polycarbonate. The room temperature breakdown strength was also measured and thermal analysis, nuclear magnetic resonance and scanning electron microscopy studies were carried out. For some films the nanoparticles were surface-treated (STNP) while for others they were not (UNP). For concentrations of UNP greater than about 3.4 vol. %, ɛ' is much larger than expected on the basis of laws of mixing. On the other hand, ɛ' for materials made using STNP is well-behaved. Correspondingly, increased loss (ɛ″ or tan δ) in the vicinity of room temperature is observed for the materials made from UNP. The anomalously large values of relative permittivity and increased loss are attributed to the presence of large aggregates in the materials made using the UNP. For both UNP-and STNP-based materials, the breakdown strength is found to decrease as nanoparticle concentration increases. The breakdown strength for the materials made using STNP is found to be larger for all concentrations than for those containing UNP despite the presence of large aggregates in some of the STNP-based materials. This shows that breakdown is strongly affected by the nanoparticle surfaces and/or the interface layer. It is also found that the breakdown strength for materials made using UNP increases as particle size increases. Finally, variable temperature and pressure proton nuclear magnetic resonance relaxation measurements were made to assess the effect of nanoparticle inclusion on polymer motion, and the effects were found to be very minor.

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

    Science.gov (United States)

    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.

  18. Diffraction. Single crystal, magnetic

    International Nuclear Information System (INIS)

    Heger, G.

    1999-01-01

    The analysis of crystal structure and magnetic ordering is usually based on diffraction phenomena caused by the interaction of matter with X-rays, neutrons, or electrons. Complementary information is achieved due to the different character of X-rays, neutrons and electrons, and hence their different interactions with matter and further practical aspects. X-ray diffraction using conventional laboratory equipment and/or synchrotron installations is the most important method for structure analyses. The purpose of this paper is to discuss special cases, for which, in addition to this indispensable part, neutrons are required to solve structural problems. Even though the huge intensity of modern synchrotron sources allows in principle the study of magnetic X-ray scattering the investigation of magnetic structures is still one of the most important applications of neutron diffraction. (K.A.)

  19. BaTiO3 thick fi lms obtained by tape casting from powders prepared by the oxalate route

    Directory of Open Access Journals (Sweden)

    Adelina Ianculescu

    2009-06-01

    Full Text Available BaTiO3 powders were prepared by co-precipitation via oxalate route. The size, morphology and particle size distribution of the oxalate powders have been optimized by the control of different synthesis parameters during the precipitation reaction (nature of salts, concentration of different solutions, aging time. The single phase BaTiO3 oxide particles were obtained after a thermal decomposition of the as-synthesized powders at 850°C for 4 hours under air atmosphere. Oxide powders with a suitable specifi c surface area were selected in order to obtain thick fi lms by the tape casting technique. The microstructure and dielectric properties of the thick films varied obviously depending on the deposition-calcination-sintering cycle used. A double depositioncalcination cycle followed by sintering, as well as a two step deposition-calcination-sintering procedure was used in order to improve the compactness and therefore, the dielectric behaviour. A higher dielectric constant value (~ 750 and lower dielectric losses (~ 2 % were achieved at room temperature and at 1 kHz frequency for the dense, double-deposited fi lm obtained after two deposition-calcination-sintering cycles. For this film, a superior value of the dielectric constant (~ 1100, almost frequency independent in the frequency range of 100 Hz – 10 kHz was gained also at the ferroelectric-paraelectric phase transition temperature of 130°C.

  20. Single Crystal Surfaces

    Science.gov (United States)

    Aguilar-Santillan, Joaquin

    2014-06-01

    The present work studies (0001) Al2O3 and (111) Al2MgO4 wetting with pure molten Al by the sessile drop technique from 1073 K to 1473 K (800 °C to 1200 °C) under Ar at PO2 10-15 Pa. Al pure liquid wets a smooth and chemically homogeneous surface of an inert solid, the wetting driving force ( t, T) can be readily studied when surface solid roughness increases in the system. Both crystals planes (0001) Al2O3 and (111) Al2MgO4 have crystallographic surfaces with identical O-2 crystalline positions however considering Mg2+ content in Al2MgO4 structure may influence a reactive mode. Kinetic models results under similar experimental conditions show that Al wetting on (0001) Al2O3 is less reactive than (111) Al2MgO4, however at >1273 K (1000 °C) (0001) Al2O3 transformation occurs and a transition of wetting improves. The (111) Al2MgO4 and Al system promotes interface formations that slow its wetting process.

  1. Influence of Bias on the Friction Imaging of Ferroelectric Domains in Single Crystal Barium Titanate Energy Storage Materials

    Directory of Open Access Journals (Sweden)

    Lan Chen

    2014-01-01

    Full Text Available The friction imaging of newlycleaved surface domains of single crystal BaTiO3 energy storage materials under both positive and negative voltage bias is investigated by scanning force microscope. When the bias was applied and reversed, three regions with different brightness and contrast in friction image indicated different response to the biases: the friction image of domain A displayed a great change in brightness while domains B and C displayed only a very small change. Possible mechanisms of the interesting phenomena originating from different static force between different charged tip and the periodical array of surface charges inside the inplane domains were proposed. These results provide a new method for the determination of the polarization direction for the domain parallel to the surface and may be useful in the investigation of ferroelectric energy storage materials, especially the relationship between the polarization direction of domain and the bias.

  2. Crystal ball single event display

    International Nuclear Information System (INIS)

    Grosnick, D.; Gibson, A.; Allgower, C.; Alyea, J.; Argonne National Lab., IL

    1997-01-01

    The Single Event Display (SED) is a routine that is designed to provide information graphically about a triggered event within the Crystal Ball. The SED is written entirely in FORTRAN and uses the CERN-based HICZ graphing package. The primary display shows the amount of energy deposited in each of the NaI crystals on a Mercator-like projection of the crystals. Ten different shades and colors correspond to varying amounts of energy deposited within a crystal. Information about energy clusters is displayed on the crystal map by outlining in red the thirteen (or twelve) crystals contained within a cluster and assigning each cluster a number. Additional information about energy clusters is provided in a series of boxes containing useful data about the energy distribution among the crystals within the cluster. Other information shown on the event display include the event trigger type and data about π o 's and η's formed from pairs of clusters as found by the analyzer. A description of the major features is given, along with some information on how to install the SED into the analyzer

  3. Microstructure defects mediated charge transport in Nb-doped epitaxial BaTiO3 thin films

    Science.gov (United States)

    Zhou, Jian; Jing, Xiaosai; Alexe, Marin; Dai, Jiyan; Qin, Minghui; Wu, Sujuan; Zeng, Min; Gao, Jinwei; Lu, Xubing; Liu, J.-M.

    2016-05-01

    Nb-doped BaTiO3 (BNTO) films were deposited on MgO substrates at different substrate temperatures by pulsed laser deposition. The temperature dependence of their resistivity, carrier mobility and carrier concentration were systematically investigated. It reveals that the BNTO films deposited at lower temperature show higher resistivity and lower carrier mobility, and only show semiconductor characteristics at measurement temperatures ranging from 10 to 400 K. There is a metal-semiconductor transition at about 20 K for the films grown at relatively higher temperature. The intrinsic mechanism responsible for the different charge transport behavior was revealed by microstructure studies. Low crystal quality and high density of microstructure defects, observed for BNTO films grown at low temperatures, are, in particular, massively affecting the charge transport behavior of the BNTO films. The mediated charge transport of the microstructure defects is dominated by the thermal excitation process.

  4. Study of radiation damage in BaTiO3, using Molecular-dynamics simulations

    International Nuclear Information System (INIS)

    Gonzalez, E.; Abreu, Y.; Cruz, C. M.; Pinnera, I.; Leyva, A.

    2015-01-01

    Molecular-dynamics (MD) simulations were used to calculate atomic displacement probability curves along main crystallographic directions in BaTiO 3 perovskite. A primary knock-on atom (PKA) with a energy range between 10 to 300 eV in principal crystallographic directions at 300 K was introduced. For each sublattice, the simulation was repeated from different initial conditions to estimate the variation in the defect formation process. The formation of Frenkel pairs vary considerably with crystallographic direction and sublattice. Major quantity oxygen defects were found for all the simulated crystallographic directions. Threshold displacement energies are calculated for each atomic specie in the BaTiO 3 material. Also simulations with SRIM code, modeling + Mn implantation in a BaTiO 3 target, at 250 keV were made. (Author)

  5. The influence of doping style on the grain growth of BaTiO3 ceramics

    International Nuclear Information System (INIS)

    Qi Jianquan; Li Longtu; Li Wen; Wang Yongli; Gui Zhilun

    2003-01-01

    Decrease the sintering temperature and doping with multiple functional impurities are necessary to develop the new ceramic electronic components. In this study, we used CdO as a dopant to lower sintering temperature of BaTiO 3 with two doping styles: one is synthesis CdO into BaTiO 3 to form compound as basic powder, another is adding CdO to the basic powder BaTiO 3 before sintering as sintering aid. The different doping style resulted in very different effects. The grain size of the ceramics was controlled efficiently and the sintering was promoted greatly by the first doping style. On the contrary, the ceramic grain is much bigger and the sintering was not promoted efficiently by another doping style. Therefore, the style of doping is very important to the graingrowth controlling. The mechanism of these differences is also discussed

  6. Conduction Mechanisms in Multiferroic Multilayer BaTiO3/NiFe2O4/BaTiO3 Memristors

    Science.gov (United States)

    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.

  7. Influence of Impurities on the Luminescence of Er3+ Doped BaTiO3 Nanophosphors

    Directory of Open Access Journals (Sweden)

    G. D. Webler

    2014-01-01

    Full Text Available The influence of the presence of barium carbonate (BaCO3 phase on the luminescence properties of barium titanate nanocrystals (BaTiO3 powders was investigated. Structural and optical characterizations of erbium (Er3+ doped BaTiO3 synthesized by the sol-emulsion-gel were performed. Using Fourier transform infrared spectroscopy and X-ray powder diffraction, we identified the presence of impurities related to BaCO3 and quantified its fraction. It was observed that the presence of BaCO3 phase, even at low levels, depletes significantly the infrared-to-visible upconverted luminescence efficiency of the produced nanopowders.

  8. Dielectric response of BaZrO3/BaTiO3 superlattice

    Directory of Open Access Journals (Sweden)

    D. Wang

    2016-06-01

    Full Text Available We use the first-principles-based molecular dynamic approach to simulate dipolar dynamics of BaZrO3/BaTiO3 superlattice, and obtain its dielectric response. The dielectric response is decomposed into its compositional, as well as the in-plane and out-of-plane parts, which are then discussed in the context of chemical ordering of Zr/Ti ions. We reveal that, while the in-plane dielectric response of BaZrO3/BaTiO3 superlattice also shows dispersion over probing frequency, it shall not be categorized as relaxor.

  9. Direct synthesis of ultrafine tetragonal BaTiO3 nanoparticles at room temperature

    Directory of Open Access Journals (Sweden)

    Hu Yong

    2011-01-01

    Full Text Available Abstract 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.

  10. HRTEM study of a new non-stoichiometric BaTiO(3-δ) structure

    OpenAIRE

    Yang, G. Y.; Dickey, E. C.; Randall, C. A.; Woodward, David I.; Reaney, I. M.

    2004-01-01

    BaTiO3-based multilayer ceramic capacitors (MLCCs) with Ni internal electrodes are co-fired in\\ud reducing atmospheres to avoid oxidation of the electrode. Although dielectric materials are doped by\\ud acceptor, donor and amphoteric dopants to minimize the oxygen vacancy content, there is still a\\ud large concentration of oxygen vacancies that are accommodated in the BaTiO3 active layers. In\\ud general, ABO3 perovskites demonstrates a strong ability to accommodate the oxygen vacancies and\\ud ...

  11. Dielectric enhancement of BaTiO3/SrTiO3 superlattices with embedded Ni nanocrystals

    International Nuclear Information System (INIS)

    Xiong Zhengwei; Sun Weiguo; Wang Xuemin; Jiang Fan; Wu Weidong

    2012-01-01

    Highlights: ► The BaTiO 3 /SrTiO 3 superlattices with embedded Ni NCs were successfully fabricated by L-MBE. ► The influence with the various concentrations of Ni nanocrystals embedded in BaTiO 3 /SrTiO 3 superlattices was also discussed. ► The BaTiO 3 /SrTiO 3 superlattices with lower concentration of embedded Ni NCs had higher permittivity and dielectric loss compared with the pure BaTiO 3 /SrTiO 3 superlattices. ► The dielectric enhancement of BaTiO 3 /SrTiO 3 superlattices with embedded Ni NCs was proposed to explained by Drude quasi-free-electron theory. - Abstract: The self-organized Ni nanocrystals (NCs) were embedded in BaTiO 3 /SrTiO 3 superlattices using laser molecular beam epitaxy (L-MBE). The stress of the composite films was increased with the increasing concentration of embedded Ni NCs, as investigation in stress calculation. The influence with the various concentrations of Ni NCs embedded in BaTiO 3 /SrTiO 3 superlattices was also discussed. The internal stress of the films was too strong to epitaxial growth of BaTiO 3 /SrTiO 3 superlattices. Compared with the pure BaTiO 3 /SrTiO 3 superlattices, the BaTiO 3 /SrTiO 3 superlattices with lower concentration of embedded Ni NCs had higher permittivity and dielectric loss. Furthermore, the dielectric enhancement of BaTiO 3 /SrTiO 3 superlattices with embedded Ni NCs was proposed to explained by Drude quasi-free-electron theory.

  12. Effects of A-site nonstoichiometry on oxide ion conduction in 0.94Bi0.5Na0.5TiO3–0.06BaTiO3 ceramics

    Directory of Open Access Journals (Sweden)

    Sasiporn Prasertpalichat

    2016-06-01

    Full Text Available Lead free 0.94(Bi0.5Na0.5TiO3–0.06BaTiO3 ceramics were prepared by conventional solid-state mixed oxide route with the A-site stoichiometry modified to incorporate donor-doping (through Bi-excess and acceptor-doping (through Na-excess. Both stoichiometric and nonstoichiometric ceramics exhibited a single perovskite phase with pseudo-cubic symmetry. A significant improvement in the dielectric properties was observed in Bi-excess compositions and a deterioration in the dielectric properties was observed in Na-excess compositions. Impedance spectroscopy was utilized to analyze the effects of A-site nonstoichiometry on conduction mechanisms. Compositions with Bi-excess resulted in an electrically homogeneous microstructure with an increase in resistivity by ∼3–4 orders of magnitude and an associated activation energy of 1.57eV which was close to half of the optical bandgap. In contrast, an electrically heterogeneous microstructure was observed in both the stoichiometric and Na-excess compositions. In addition, the Na-excess compositions exhibited low resistivities (ρ∼103Ω-cm with characteristic peaks in the impedance data comparable to the recent observations of oxide ion conduction in (Bi0.5Na0.5TiO3. Long term annealing studies were also conducted at 800∘C to identify changes in crystal structure and electrical properties. The results of this study demonstrates that the dielectric and electrical properties of 0.94(Bi0.5Na0.5TiO3–0.06BaTiO3 ceramics are very sensitive to Bi/Na stoichiometry.

  13. Patterned solid state growth of barium titanate crystals

    Science.gov (United States)

    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 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.

  14. Characterization of BaTiO 3 piezoelectric perovskite material for ...

    Indian Academy of Sciences (India)

    The properties of bariumtitanate material, at each stage of its fabrication (powder, granulate, sintered material), influencing on its application forthe stacked-disk multilayer actuator were determined. Particularly, the four parameters of BaTiO 3 sinter affecting on theusability properties of actuators, not found before in the ...

  15. Synthesis and luminescence properties of BaTiO3: RE (RE= Gd 3 ...

    Indian Academy of Sciences (India)

    Gd3+, Dy3+, Tb3+ and Lu3+ doped BaTiO3-based phosphors were synthesized with modified solidstate technique at 1000 °C. The optimization of reaction conditions were carried out by thermogravimetry and differential thermal analysis methods (DTA/TG). The reaction products obtained in an air atmosphere were ...

  16. A study on the damping capacity of BaTiO3-reinforced Al-matrix ...

    Indian Academy of Sciences (India)

    strength and high damping capacity. Ferroelectric and piezoelectric ceramics can exhibit con- siderable high vibration damping capacity due to the anelas- tic response of ferroelastic domains to an external applied stress. Some piezoelectric materials such as BaTiO3 PZT. (Pb(ZrTi)O3) and LiNbO3 have been focussed and ...

  17. Total energy calculation of perovskite, BaTiO3, by self-consistent ...

    Indian Academy of Sciences (India)

    We present results of numerical computation on some characteristics of BaTiO3 such as total energy, lattice constant, density of states, band structure etc using self-consistent tight binding method. Besides strong Ti–O bond between 3 on titanium and 2 orbital on oxygen states, we also include weak hybridization ...

  18. Synthesis and luminescence properties of BaTiO3:RE (RE = Gd , Dy ...

    Indian Academy of Sciences (India)

    and surface effects (Tissue 1998; Williams et al 1998; Yan et al 2003; Lehmann et al 2004), have attracted great ... defects are regarded as a bad factor to the nanophosphors because they quench the luminescence .... that the radiation band of the new luminescent formed by doping 1% mole Tb3+ ion into the BaTiO3 host ...

  19. Total energy calculation of perovskite, BaTiO3, by self-consistent ...

    Indian Academy of Sciences (India)

    Unknown

    ods were applied for calculation of BaTiO3. Among them are the first-principle calculations based on the local den- sity approximation (LDA, see for example, ... It is also interpreted as occupation numbers of one-electron orbital. ψλ(r о. ) can be expanded in the series of tight binding orthogonal orbital, ν, localized at site i,. )(r.

  20. Characterization of BaTiO3 piezoelectric perovskite material for ...

    Indian Academy of Sciences (India)

    In this study, we present the results of the manufacturing of BaTiO 3 powder, which is meant for use in stacked-diskmultilayer actuator production. ... Poland; Department of Materials Forming and Processing, Faculty of Mechanical Engineering and Aeronautics, Rzeszow University of Technology, 35-959 Rzeszów, Poland ...

  1. Characterization, dielectric and electrical behaviour of BaTiO3 ...

    Indian Academy of Sciences (India)

    Administrator

    A new sol-precipitation technique for the preparation of nano BaTiO3 crystallite has been deve- ... dependent on the methods of preparation (Subbarao et al 1981; Frey and Payne 1996; Zhao et al 2004). Recent advances in nanotechnology such as MLCC, MEMS and ... (TG–DTA) instrument (Model: Pyris Diamond, Perkin-.

  2. Electric double layer transistors with ferroelectric BaTiO3 channels

    NARCIS (Netherlands)

    Ito, M.; Matsubara, Y.; Kozuka, Y.; Takahashi, K. S.; Kagawa, F.; Ye, J. T.; Iwasa, Y.; Ueno, K.; Tokura, Y.; Kawasaki, M.

    2014-01-01

    We report the surface conduction of a BaTiO3 thin film using electric double layer transistor (EDLT) structure. A transistor operation was observed at 220 K with an on/off ratio exceeding 10(5), demonstrating that ionic liquid gating is effective to induce carriers at the surface of ferroelectric

  3. Structure and properties of plasma sprayed BaTiO3 coatings after thermal posttreatment

    Czech Academy of Sciences Publication Activity Database

    Ctibor, Pavel; Sedláček, J.; Pala, Zdeněk

    2015-01-01

    Roč. 41, č. 6 (2015), s. 7453-7460 ISSN 0272-8842 Institutional support: RVO:61389021 Keywords : Electrical properties * BaTiO3 * Plasma spraying * Annealing * Microstructure Subject RIV: JH - Ceramics, Fire-Resistant Materials and Glass Impact factor: 2.758, year: 2015 http://dx.doi.org/10.1016/j.ceramint.2015.02.065

  4. Total energy calculation of perovskite, BaTiO 3 , by self-consistent ...

    Indian Academy of Sciences (India)

    We present results of numerical computation on some characteristics of BaTiO3 such as total energy, lattice constant, density of states, band structure etc using self-consistent tight binding method. Besides strong Ti–O bond between 3 on titanium and 2 orbital on oxygen states, we also include weak hybridization ...

  5. Linear electro-optical properties of tetragonal BaTiO 3

    Indian Academy of Sciences (India)

    Linear optical susceptibility and clamped linear electro-optical tensor coefficients of tetragonal BaTiO3 are calculated using a formalism based on bond charge theory. Calculated values are in close agreement with experimental data. The covalent Ti–O bonds constituting distorted TiO6 octahedral groups are found to be ...

  6. Structural Studies of BaTiO 3 Ferroelectric Material Prepared by ...

    African Journals Online (AJOL)

    Nano particle Barium Titanate (BT) is the first ferroelectric ceramics and a good nominee for a variety of applications from large family of Perovskite. In this study BaTiO3 was synthesised by using Sol-gel (green chemistry) method. It is environmental friendly method and has a significant influence on the structure and ...

  7. Frustration of Negative Capacitance in Al2O3/BaTiO3 Bilayer Structure.

    Science.gov (United States)

    Kim, Yu Jin; Park, Min Hyuk; Lee, Young Hwan; Kim, Han Joon; Jeon, Woojin; Moon, Taehwan; Kim, Keum Do; Jeong, Doo Seok; Yamada, Hiroyuki; Hwang, Cheol Seong

    2016-01-08

    Enhancement of capacitance by negative capacitance (NC) effect in a dielectric/ferroelectric (DE/FE) stacked film is gaining a greater interest. While the previous theory on NC effect was based on the Landau-Ginzburg-Devonshire theory, this work adopted a modified formalism to incorporate the depolarization effect to describe the energy of the general DE/FE system. The model predicted that the SrTiO3/BaTiO3 system will show a capacitance boost effect. It was also predicted that the 5 nm-thick Al2O3/150 nm-thick BaTiO3 system shows the capacitance boost effect with no FE-like hysteresis behavior, which was inconsistent with the experimental results; the amorphous-Al2O3/epitaxial-BaTiO3 system showed a typical FE-like hysteresis loop in the polarization - voltage test. This was due to the involvement of the trapped charges at the DE/FE interface, originating from the very high field across the thin Al2O3 layer when the BaTiO3 layer played a role as the NC layer. Therefore, the NC effect in the Al2O3/BaTiO3 system was frustrated by the involvement of reversible interface charge; the highly stored charge by the NC effect of the BaTiO3 during the charging period could not be retrieved during the discharging process because integral part of the polarization charge was retained within the system as a remanent polarization.

  8. Quantifying Local and Cooperative Components in the Ferroelectric Distortion of BaTiO3: Learning from the Off-Center Motion in the MnCl65– Complex Formed in KCl:Mn+

    DEFF Research Database (Denmark)

    García Lastra, Juan Maria; García-Fernández, P.; Calle-Vallejo, F.

    2014-01-01

    The delicate balance between cooperative and local contributions in the ferroelectric distortions of BaTiO3 is explored by means of ab initio calculations. As a salient feature, it is found that a single Ti4+ ion in BaTiO3 is not allowed to move off-center at ambient pressure, while this is no lo......The delicate balance between cooperative and local contributions in the ferroelectric distortions of BaTiO3 is explored by means of ab initio calculations. As a salient feature, it is found that a single Ti4+ ion in BaTiO3 is not allowed to move off-center at ambient pressure, while...... this is no longer true if the lattice is expanded by only ∼5%, stressing the high sensitivity of the local contribution to chemical and hydrostatic pressures. In order to further understand the effect of local contributions on the phase transition mechanism of ferroelectrics, we have investigated the surprising C3v...

  9. Patterning of Perovskite Single Crystals

    KAUST Repository

    Corzo, Daniel

    2017-06-12

    As the internet-of-things hardware integration continues to develop and the requirements for electronics keep diversifying and expanding, the necessity for specialized properties other than the classical semiconductor performance becomes apparent. The success of emerging semiconductor materials depends on the manufacturability and cost as much as on the properties and performance they offer. Solution-based semiconductors are an emerging concept that offers the advantage of being compatible with large-scale manufacturing techniques and have the potential to yield high-quality electronic devices at a lower cost than currently available solutions. In this work, patterns of high-quality MAPbBr3 perovskite single crystals in specific locations are achieved through the modification of the substrate properties and solvent engineering. The fabrication of the substrates involved modifying the surface adhesion forces through functionalization with self-assembled monolayers and patterning them by photolithography processes. Spin coating and blade coating were used to deposit the perovskite solution on the modified silicon substrates. While single crystal perovskites were obtained with the modification of substrates alone, solvent engineering helped with improving the Marangoni flows in the deposited droplets by increasing the contact angle and lowering the evaporation rate, therefore controlling and improving the shape of the grown perovskite crystals. The methodology is extended to other types of perovskites such as the transparent MAPbCl3 and the lead-free MABi2I9, demonstrating the adaptability of the process. Adapting the process to electrode arrays opened up the path towards the fabrication of optoelectronic devices including photodetectors and field-effect transistors, for which the first iterations are demonstrated. Overall, manufacturing and integration techniques permitting the fabrication of single crystalline devices, such as the method in this thesis work, are

  10. Quantifying local and cooperative components in the ferroelectric distortion of BaTiO(3): learning from the off-center motion in the MnCl(6)(5-) complex formed in KCl:Mn(+).

    Science.gov (United States)

    García-Lastra, J M; García-Fernández, P; Calle-Vallejo, F; Trueba, A; Aramburu, J A; Moreno, M

    2014-07-07

    The delicate balance between cooperative and local contributions in the ferroelectric distortions of BaTiO3 is explored by means of ab initio calculations. As a salient feature, it is found that a single Ti(4+) ion in BaTiO3 is not allowed to move off-center at ambient pressure, while this is no longer true if the lattice is expanded by only ∼5%, stressing the high sensitivity of the local contribution to chemical and hydrostatic pressures. In order to further understand the effect of local contributions on the phase transition mechanism of ferroelectrics, we have investigated the surprising C3v → C4v → Oh local transformations occurring in the 10-50 K temperature range for the MnCl6(5-) complex formed in KCl:Mn(+) that mimic the behavior of BaTiO3. From Boltzmann analysis of the vibronic levels derived from ab initio calculations and considering decoherence introduced by random strains, the present calculations reproduce the experimental phase sequence and transition temperatures. Furthermore, our calculations show that the off-center instability in KCl:Mn(+) would be suppressed by reducing by only 1% the lattice parameter, a situation that then becomes comparable to that found for BaTiO3 at ambient pressure. The present results thus stress the deep link between the structural phase transitions of ferroelectric materials and local phase transitions displayed by transition-metal impurities in insulators.

  11. Síntesis de polvos de BaTiO3 por mecanoquímica

    Directory of Open Access Journals (Sweden)

    Villaquirán Raigoza, C. F.

    2002-02-01

    Full Text Available The barium titanato, BaTiO3, is one of the electronic ceramics with more history of technological application in the industry of the ceramic capacitores. The actual technological demands, and the high quality required for the electronic devices, have driven to new alternatives of prosecution of these materials and to optimize the traditional techniques of raw materials synthesis it prevails. An alternative synthesis is to use the mechanical energy to modify the physiochemical properties of the dispersed system and to favor the obtaining of powders of BaTiO3. In this work the results are indicated obtained when using mechanical activation, physicochemistry, in the obtaining of the BaTiO3. It has been analyzed the effect of the time of mill and the nature of the precursor of the titanium on the transformation of phases in the samples during the thermal treatment to that are subjected. X-ray diffraction, DRX, was used to study the phases evolution and infrared spectroscopy, FTIR, to determine the functional groups present in the samples.El titanato de bario, BaTiO3, es uno de los cerámicos electrónicos con mayor historia de aplicación tecnológica en la industria de los capacitores cerámicos. Las demandas tecnológicas actuales, y la alta calidad requerida para los dispositivos electrónicos, han conducido a nuevas alternativas de procesamiento de estos materiales y a optimizar las técnicas tradicionales de síntesis de materia prima. Una alternativa de síntesis es utilizar la energía mecánica para modificar las propiedades fisicoquímicas del sistema disperso y favorecer la obtención de polvos de BaTiO3. En este trabajo se indican los resultados obtenidos al utilizar activación mecánica, mecanoquímica, en la obtención del BaTiO3. Se ha analizado el efecto del tiempo de molienda y la naturaleza del precursor del titanio sobre la transformación de fases que experimentan las muestras durante el tratamiento térmico a que son sometidas. Para estudiar la evolución de fases se utilizó difracción de rayos-x, DRX, y espectroscopia infrarroja, FTIR, para determinar los grupos funcionales presentes en las muestras.

  12. Luminescent Properties of Surface Functionalized BaTiO3 Embedded in Poly(methyl methacrylate

    Directory of Open Access Journals (Sweden)

    Sebastian Requena

    2014-01-01

    Full Text Available As-received BaTiO3 nanopowders of average grain sizes 50 nm and 100 nm were functionalized by (3-aminopropyltriethoxysilane (APTES and mixed with poly(methyl methacrylate/toluene solution. The nanocomposite solution was spin coated on Si substrates to form thin films. The photoluminescence spectrum of the pure powder was composed of a bandgap emission at 3.0 eV and multiple bands centered about 2.5 eV. Surface functionalization of the BaTiO3 powder via APTES increases overall luminescence at room temperature while only enhancing bandgap emission at low-temperature. Polymer coating of the functionalized nanoparticles significantly enhances bandgap emissions while decreasing emissions associated with near-surface lattice distortions at 2.5 eV.

  13. Luminescent Properties of Surface Functionalized BaTiO3 Embedded in Poly(methyl methacrylate)

    Science.gov (United States)

    Requena, Sebastian; Lacoul, Srijan; Strzhemechny, Yuri M.

    2014-01-01

    As-received BaTiO3 nanopowders of average grain sizes 50 nm and 100 nm were functionalized by (3-aminopropyl)triethoxysilane (APTES) and mixed with poly(methyl methacrylate)/toluene solution. The nanocomposite solution was spin coated on Si substrates to form thin films. The photoluminescence spectrum of the pure powder was composed of a bandgap emission at 3.0 eV and multiple bands centered about 2.5 eV. Surface functionalization of the BaTiO3 powder via APTES increases overall luminescence at room temperature while only enhancing bandgap emission at low-temperature. Polymer coating of the functionalized nanoparticles significantly enhances bandgap emissions while decreasing emissions associated with near-surface lattice distortions at 2.5 eV. PMID:28788468

  14. Surface structures and dielectric response of ultrafine BaTiO3 particles

    International Nuclear Information System (INIS)

    Jiang, B.; Peng, J.L.; Bursill, L.A.

    1998-01-01

    Characteristic differences are observed for the dielectric response and microstructures of BaTiO 3 nanoscale fine powders prepared using sol gel (SG) and steric acid gel (SAG) methods. The former exhibit a critical size below which there is no paraelectric/ferroelectric phase transition whereas BaTiO 3 prepared via the SAG route remained cubic for all conditions. Atomic resolution images of both varieties showed a high density of interesting surface steps and facets. Computer simulated images of surface structure models showed that the outer (100) surface was typically a BaO layer and that at corners and ledges the steps are typically finished with Ba+2 ions; i.e. the surfaces and steps are Ba-rich. Otherwise the surfaces were typically clean and free of amorphous layers. The relationship between the observed surfaces structures and theoretical models for size effects on the dielectric properties is discussed. (authors)

  15. Preparation of TiC single crystals

    International Nuclear Information System (INIS)

    Scheerer, B.; Fink, J.; Reichardt, W.

    1975-07-01

    TiC single crystals were prepared by vertical zone melting for measurements of the phonon dispersion by inelastic neutron scattering. The influence of the starting material and of the growing conditions on the growth of the crystal were studied. The crystals were characterized by chemical methods, EMX and neutron diffraction. It was possible to grow single crystals with a volume of up to 0.6 cm 3 and mosaic spread of less then 0.4 0 . (orig.) [de

  16. Characterization, dielectric and electrical behaviour of BaTiO3 ...

    Indian Academy of Sciences (India)

    A new sol-precipitation technique for the preparation of nano BaTiO3 crystallite has been developed by reacting 0.2 M each of Ti(IV) triethanolaminato isopropoxide and hydrated barium hydroxide in methanol such that the molar ratio of Ba : Ti is 1.02 at 80 °C under stirring (1200 rpm) for one hour in alkaline media using ...

  17. Synthesis and dielectric investigations of BaTiO3 obtained by soft chemistry route

    OpenAIRE

    Wypych, A.; Opasińska, A.; Bobowska, I.; Wojciechowski, P.

    2012-01-01

    A new strategy for preparation of nano-sized barium titanate (BaTiO3) particles was applied by using: layered (tetramethyl) ammonium titanate, barium acetate and tetramethylammonium hydroxide. An addition of barium salt to aqueous layered titanate colloids leads to a precipitation phenomenon by which barium titanate precursor was obtained. The mechanism of this reaction is based on ions exchange which permits to incorporate barium ions into titanate layers. This was confirmed by comparison...

  18. Valence and Spin fluctuations in Mn-doped ferroelectric BaTiO3

    OpenAIRE

    Mandal, Subhasish; Cohen, R. E.; Haule, K.

    2018-01-01

    We study Mn substitution for Ti in BaTiO$_3$ with and without compensating oxygen vacancies using density functional theory (DFT) in combination with dynamical mean field theory (DMFT). We find strong charge and spin fluctuations. Without compensating oxygen vacancies, the ground state is found to be a quantum superposition of two distinct atomic valences, 3{\\it d}$^4$ and 3{\\it d}$^5$. Introducing a compensating oxygen vacancy at a neighboring site reduces both charge and spin fluctuations d...

  19. Photon and electron irradiation influence examination on electric properties of BaTiO3

    International Nuclear Information System (INIS)

    Cvetkovic, B.; Manic, G.; Mitic, V.

    1998-01-01

    In order to investigate the influence of photon and electron projectiles from accelerator on electric properties of BaTiO 3 - ceramics, frequent dependence of Z/R ratio is recorded before and after irradiation. Evident differences between frequent dependence of the Z/R ratio recorded on the RLC-meter before and after irradiation for each sample is presented, and that is of practical importance for further application of BaTiO sub 3 - ceramics (author)

  20. The effects of additive on microstructure and electrical properties of batio3 ceramics

    Directory of Open Access Journals (Sweden)

    Paunović Vesna V.

    2004-01-01

    Full Text Available In this paper comparative investigations of microstructure and dielectric properties of BaTiO3 ceramics doped with 1.0 wt% of Nb2O5, MnCO3 and CaZrO3 have been done. BaTiO3 samples were prepared using conventional method of solid state sintering at 13000C for two hours. Two distinguish micro structural regions can be observed in sample doped with Nb2O5. The first one, with a very small grained microstructure and the other one, with a rod like grains. In MnCO3 and CaZrO3 doped ceramics the uniform microstructure is formed with average grain size about 0.5- 2µm and 3-5µm respectively. The highest value of dielectric permittivity at room temperature and the greatest change of permittivity in function of temperature were observed in MnCO3/BaTiO3. In all investigated samples dielectric constant after initially large value at low frequency attains a constant value at f = 6kHz. A dissipation factor is independent of frequency greater than 10 kHz and, depending of systems, lies in the range from 0.035 to 0.25. At temperatures above Curie temperatures, the permittivity of all investigated samples follows a Curie- Weiss law. A slight shift of Curie temperature to the lower temperatures, in respect of Curie temperature for undoped BaTiO3, was observed in all investigated samples.

  1. Correlation of magnetoelectric coupling in multiferroic BaTiO3-BiFeO3 superlattices with oxygen vacancies and antiphase octahedral rotations

    OpenAIRE

    Lorenz, Michael; Wagner, Gerald; Lazenka, Vera; Schwinkendorf, Peter; Modarresi, Hiwa; Van Bael, Margriet; Vantomme, André; Temst, Kristiaan; Oeckler, Oliver; Grundmann, Marius

    2015-01-01

    Multiferroic (BaTiO3-BiFeO3) × 15 multilayer heterostructures show high magnetoelectric (ME) coefficients αME up to 24 V/cm·Oe at 300 K. This value is much higher than that of a single-phase BiFeO3 reference film (αME = 4.2 V/cm·Oe). We found clear correlation of ME coefficients with increasing oxygen partial pressure during growth. ME coupling is highest for lower density of oxygen vacancy-related defects. Detailed scanning transmission electron microscopy and selected area electron diffract...

  2. Synthesis of highly disperse tetragonal BaTiO3 nanoparticles with core–shell by a hydrothermal method

    Directory of Open Access Journals (Sweden)

    Jinhui Li

    2017-12-01

    Full Text Available In order to synthesize of high-dispersion and tetragonal BaTiO3 (BT nanoparticle, a hydrothermal method is used in a mixture of chloride metal sources and KOH with polyvinylpyrrolidone (PVP. The properties of BT–PVPs prepared by different reaction temperature and time are investigated via XRD, FE-SEM, DLS, FT-IR, and TEM to clarify the changes of the crystal phase, dispersion, and particle structure. The reaction is finished at 230 °C for 24 h and the critical reaction condition for that the crystal phase of the obtained BT particle changed from the cubic to the tetragonal is found to be 190 °C fixed in reaction time 24 h, and 9 h. During reaction the PVP on the BT surface decomposed to different form, and the PVP plays the role of dispersant in aqueous solution. By the hydrothermal condition of 230 °C for 24 h almost monodisperse BT–PVP with sizes of 83 nm and tetragonality (c/a of 1.0062 were synthesized. The structure of nanoparticle, core (BT–shell (PVP was investigated by FT-IR and direct observed by TEM and the mechanism of particle growth and dispersion was discussed.

  3. Nanocomposites of ferroelectric polymers with surface-hydroxylated BaTiO 3 nanoparticles for energy storage applications

    KAUST Repository

    Almadhoun, Mahmoud Nassar Mahmoud

    2012-01-01

    A facile surface hydroxylation treatment using hydrogen peroxide to modify the surface of BaTiO 3 nanofillers dispersed in a ferroelectric copolymer host has been investigated. We demonstrate that the surface functionalization of the BaTiO 3 nanofillers (<100 nm) with hydroxyl groups results in as much as two orders of magnitude reduction in the leakage current of nanocomposite thin-film capacitors. This reduction is observed concurrently with the enhancement of the effective permittivity and breakdown strength of the thin-film nanocomposites. Surface modified BaTiO 3 particles display better dispersion within the polymer matrix, resulting in enhanced relative permittivity and reduced dielectric loss. The dielectric behavior of the nanocomposite films containing up to 30 vol.% BaTiO 3 agreed well with the Bruggeman model. These results demonstrate the potential of facile surface hydroxylation of nanoparticles towards the fabrication of higher energy-density nanocomposites. © 2012 The Royal Society of Chemistry.

  4. Principles of crystallization, and methods of single crystal growth

    International Nuclear Information System (INIS)

    Chacra, T.

    2010-01-01

    Most of single crystals (monocrystals), have distinguished optical, electrical, or magnetic properties, which make from single crystals, key elements in most of technical modern devices, as they may be used as lenses, Prisms, or grating sin optical devises, or Filters in X-Ray and spectrographic devices, or conductors and semiconductors in electronic, and computer industries. Furthermore, Single crystals are used in transducer devices. Moreover, they are indispensable elements in Laser and Maser emission technology.Crystal Growth Technology (CGT), has started, and developed in the international Universities and scientific institutions, aiming at some of single crystals, which may have significant properties and industrial applications, that can attract the attention of international crystal growth centers, to adopt the industrial production and marketing of such crystals. Unfortunately, Arab universities generally, and Syrian universities specifically, do not give even the minimum interest, to this field of Science.The purpose of this work is to attract the attention of Crystallographers, Physicists and Chemists in the Arab universities and research centers to the importance of crystal growth, and to work on, in the first stage to establish simple, uncomplicated laboratories for the growth of single crystal. Such laboratories can be supplied with equipment, which are partly available or can be manufactured in the local market. Many references (Articles, Papers, Diagrams, etc..) has been studied, to conclude the most important theoretical principles of Phase transitions,especially of crystallization. The conclusions of this study, are summarized in three Principles; Thermodynamic-, Morphologic-, and Kinetic-Principles. The study is completed by a brief description of the main single crystal growth methods with sketches, of equipment used in each method, which can be considered as primary designs for the equipment, of a new crystal growth laboratory. (author)

  5. Neutron forward diffraction by single crystal prisms

    Indian Academy of Sciences (India)

    November 2008 physics pp. 1109–1114. Neutron forward diffraction by single crystal prisms. SOHRAB ABBAS1,∗, APOORVA G WAGH1, MARKUS STROBL2 and. WOLFGANG ... vicinity of a Bragg reflection, the neutron deflection deviates sharply from that for an ... Bragg reflection, for several single crystal prisms.

  6. Ultratough single crystal boron-doped diamond

    Science.gov (United States)

    Hemley, Russell J [Carnegie Inst. for Science, Washington, DC ; Mao, Ho-Kwang [Carnegie Inst. for Science, Washington, DC ; Yan, Chih-Shiue [Carnegie Inst. for Science, Washington, DC ; Liang, Qi [Carnegie Inst. for Science, Washington, DC

    2015-05-05

    The invention relates to a single crystal boron doped CVD diamond that has a toughness of at least about 22 MPa m.sup.1/2. The invention further relates to a method of manufacturing single crystal boron doped CVD diamond. The growth rate of the diamond can be from about 20-100 .mu.m/h.

  7. In situ neutron diffraction studies of single crystals and powders during microwave irradiation.

    Science.gov (United States)

    Harrison, Andrew; Ibberson, Richard; Robb, Graeme; Whittaker, Gavin; Wilson, Chick; Youngson, Douglas

    2003-01-01

    Microwave dielectric heating has become an important method in chemical synthesis and materials processing over the past 15 years, and in the case of the reactions in solutions, there is a well-developed understanding of heating mechanisms and their influence on reaction rate. In the solid-state however, there is much less clarity, despite the advantages to be gained from better insight into the way in which such electromagnetic radiation may couple directly to charge carriers, accelerating reactions in good conductors. The related issue of the influence of microwave irradiation on biological systems, in particular, proteins, and the way in which this may pose hazards to health is similarly poorly understood despite the obvious relevance this may have to the current debate on the influence of electromagnetic radiation, in particular, microwave transmission, on human health. One reason for the paucity of fundamental insight in both fields is because most work has been performed with microwave equipment whose design is derived from that of a domestic oven, and which is not ideal for in situ studies of microwave driven processes. We have been developing new methods of irradiating a variety of solid samples while measuring structural parameters through a range of diffraction techniques, and describe apparatus that will enable X-ray or neutron scattering measurements to be performed on powders or single crystals under microwave irradiation with controlled power level. We also describe preliminary studies of a single crystal of the molecular solid aspirin, and a powder of the microwave-susceptible ionic material BaTiO3, during microwave irradiation.

  8. Optical Second Harmonic Generation in the BaTiO3 phase of magnetically aligned multiferroic nanofibers

    Science.gov (United States)

    Gasperi, Katia

    Multiferroic materials enable the exploration of electrical control of magnetic properties and vice versa. Their increasing interest is especially due to their potential applications in the industry of information storage. Thanks to recent progress in nanotechnology, they have also been found to have many other applications such as transducers and sensors, and they already occupy a unique place in the biomedical field. The objective of this project is to study multiferroic nanofibers made of cobalt ferrite CoFe2O 4 (CFO) and barium titanate BaTiO3 (BTO) with a specific focus in the characterization of the ferroelectric phase. We researched the state of knowledge concerning the size effects on phase transition for nanoparticles and polycrystals BTO. The ferroelectric phase transition of BTO occurs when it changes from a tetragonal (anisotropic) crystal structure to a cubic (isotropic) structure. This change suggests that optical second harmonic generation (SHG) is a good measurement technique for monitoring the phase transition of the BTO half of the nanofibers. We designed and prepared a temperature dependent SHG experiment on magnetically aligned fibers in transmission with the possibility to investigate the polarization dependence of the signal. We also prepared interdigital electrodes on glass for the future study of the fibers in an external electric field.

  9. Growth of emerald single crystals

    International Nuclear Information System (INIS)

    Bukin, G.V.; Godovikov, A.A.; Klyakin, V.A.; Sobolev, V.S.

    1986-01-01

    In addition to its use for jewelry, emerald can also be used in low-noise microwave amplifiers. The authors discuss flux crystallization of emerald and note that when emerald is grown by this method, it is desirable to use solvents which dissolve emerald with minimum deviations from congruence but at the same time with sufficient high efficiency. Emerald synthesis and crystal growth from slowly cooled solutions is discussed as another possibility. The techniques are examined. Vapor synthesis and growht of beryl crystals re reviewed and the authors experimentally study the seeded CVD crystallization of beryl from BeO, Al 2 O 3 and SiO 2 oxides, by using complex compounds as carrier agents. The color of crystals of emerald and other varieties of beryl is detemined by slelective light absorption in teh visible part of the spectrum and depends on the density and structural positions of chromphore ions: chromium, iron, vanadium, nickel, manganese and cobalt

  10. Factors influencing formation of highly dispersed BaTiO3 nanospheres with uniform sizes in static hydrothermal synthesis

    International Nuclear Information System (INIS)

    Gao, Jiabing; Shi, Haiyue; Dong, Huina; Zhang, Rui; Chen, Deliang

    2015-01-01

    Highly dispersed BaTiO 3 nanospheres with uniform sizes have important applications in micro/nanoscale functional devices. To achieve well-dispersed spherical BaTiO 3 nanocrystals, we carried out as reported in this paper the systematic investigation on the factors that influence the formation of BaTiO 3 nanospheres by the static hydrothermal process, including the NaOH concentrations [NaOH], molar Ba/Ti ratios (R Ba/Ti ), hydrothermal temperatures, and durations, with an emphasis on understanding the related mechanisms. Barium nitrate and TiO 2 sols derived from tetrabutyl titanate were used as the starting materials. The as-synthesized BaTiO 3 samples were characterized by X-ray diffraction, scanning electron microscopy, energy-dispersive X-ray analysis, thermogravimetry, differential thermal analysis, and FT-IR spectra. The highly dispersed BaTiO 3 nanospheres (76 ± 13 nm) were achieved under the optimum hydrothermal conditions at 200 °C for 10 h: [NaOH] = 2.0 mol L −1 and R Ba/Ti  = 1.5. Higher NaOH concentrations, higher Ba/Ti ratios, higher hydrothermal temperatures, and longer hydrothermal durations are favorable in forming BaTiO 3 nanospheres with larger fractions of tetragonal phase and higher yields; but too long hydrothermal durations resulted in abnormal growth and reduced the uniformity in particle sizes. The possible formation mechanisms for BaTiO 3 nanocrystals under the static hydrothermal conditions were investigated

  11. Relaxor-PT Single Crystal Piezoelectric Sensors

    Directory of Open Access Journals (Sweden)

    Xiaoning Jiang

    2014-07-01

    Full Text Available Relaxor-PbTiO3 piezoelectric single crystals have been widely used in a broad range of electromechanical devices, including piezoelectric sensors, actuators, and transducers. This paper reviews the unique properties of these single crystals for piezoelectric sensors. Design, fabrication and characterization of various relaxor-PT single crystal piezoelectric sensors and their applications are presented and compared with their piezoelectric ceramic counterparts. Newly applicable fields and future trends of relaxor-PT sensors are also suggested in this review paper.

  12. Single crystal preparation of CuO

    NARCIS (Netherlands)

    Pieters, Th.W.J.; Nedermeyer, J.

    Single crystals of CuO are prepared by means of sublimation in a closed quartz capsule at 900 °C. The crystals have dimensions of 5 × 2 × 0.2 mm. Doping of the CuO with a few percent In2O3 (1 to 5% In/In + Cu) was necessary for the growth of the crystals. The residue contained CuO-In2O3 spinel.

  13. Structural and electrical properties of Barium Titanate (BaTiO3) and Neodymium doped BaTiO3 (Ba0.995Nd0.005TiO3)

    Science.gov (United States)

    Sulong, Tuan Amirah Tuan; Aina Maulat Osman, Rozana; Sobri Idris, Mohd; Azhar Zahid Jamal, Zul

    2017-11-01

    Barium titanate (BaTiO3) and Neodymium (Nd) doped BaTiO3 with composition Ba0.995Nd0.005TiO3 were prepared using conventional solid state reaction method to study the dielectric properties of materials. Pure phase samples were found at final heating temperature of 1400°C for overnight. X-ray diffraction analysis reveals the changes in the lattice parameter and unit cell volume of the pure perovskite tetragonal structure with space group (P4mm). Electrical analysis is carried out to investigate the dielectric properties, conductivity behaviour and dielectric loss of BaTiO3 and Ba0.995Nd0.005TiO3. Ba0.995Nd0.005TiO3 have a broaden dielectric peaks with high permittivity of 8000 and reasonably low loss tan δ which is about 0.004 (1 kHz).

  14. Understanding the peculiarities of the piezoelectric effect in macro-porous BaTiO3.

    Science.gov (United States)

    Roscow, James I; Topolov, Vitaly Yu; Bowen, Christopher R; Taylor, John; Panich, Anatoly E

    2016-01-01

    This work demonstrates the potential of porous BaTiO 3 for piezoelectric sensor and energy-harvesting applications by manufacture of materials, detailed characterisation and application of new models. Ferroelectric macro-porous BaTiO 3 ceramics for piezoelectric applications are manufactured for a range of relative densities, α  = 0.30-0.95, using the burned out polymer spheres method. The piezoelectric activity and relevant parameters for specific applications are interpreted by developing two models: a model of a 3-0 composite and a 'composite in composite' model. The appropriate ranges of relative density for the application of these models to accurately predict piezoelectric properties are examined. The two models are extended to take into account the effect of 90° domain-wall mobility within ceramic grains on the piezoelectric coefficients [Formula: see text]. It is shown that porous ferroelectrics provide a novel route to form materials with large piezoelectric anisotropy [Formula: see text] at 0.20 ≤ α ≤ 0.45 and achieve a high squared figure of merit [Formula: see text] [Formula: see text]. The modelling approach allows a detailed analysis of the relationships between the properties of the monolithic and porous materials for the design of porous structures with optimum properties.

  15. BaTiO3 OBTENIDO POR EL MÉTODO DE COPRECIPITACIÓN

    Directory of Open Access Journals (Sweden)

    CLAUDIA FERNÁNDEZ PERDOMO

    2008-01-01

    Full Text Available El titanato de bario (BaTiO3 es un material con propiedades ferroeléctricas muy importantes. Normalmente se obtiene a través de la mezcla de óxidos, TiO2 y BaCO3, obteniéndose partículas grandes y requiriendo altas temperaturas para su síntesis. En este trabajo se utilizó el método de coprecipitación para obtener BaTiO3, con un tamaño de partícula manométrico, y a una temperatura de síntesis más baja. Para ello se determinaron los parámetros más adecuados de síntesis: pH, concentración de los precursores y temperatura. La materia prima obtenida se caracterizó utilizando ATD/TG, DRX, FTIR y MET.

  16. Gold nanoparticles decorated on BaTiO3 as photocatalyst: effect of SPR and ferroelectricity

    Science.gov (United States)

    Miao, Zhilei; Chen, Lei; Wang, Rui; Yuan, Rongchun; Zhou, Fang; Lv, Pengfei; Zhang, Xiuyun; Wang, Qiang

    2018-02-01

    BaTiO3(BTO) powders with cubic(C) and tetragonal(T) crystalline structures were prepared by sol-gel method followed by calcination at different temperatures, and they were decorated with gold nanoparticles(AuNPs) to form Au-T-BTO and Au-C-BTO respectively. All the samples (C-BTO, T-BTO, Au-C-BTO and Au-T-BTO) were used as photo-catalysts for the degradation of Rhodamine B (RhB). Au-T-BTO exhibits the highest photocatalytic activity due to thecombined effect of surface plasmon resonance (SPR) and the ferroelectricity of the tetragonalphase BTO. The light absorption peaks at 500 to 600 nm verify the presence of SPR effect from Au NPs. Based on density functional theory (DFC) within the generalized gradient approximation (GGA) approach, it was demonstrated that the tetragonal phase BaTiO3 shows a spontaneous polarization with the calculated value of 0.34 C m-2, which is absent in thecubic phase. The internal space charge layer in tetragonal phase BTO enhances the separation of photoexcited carriers due to the spontaneous ferroelectric polarization, which also benefits photocatalytic activities.

  17. Defect free single crystal thin layer

    KAUST Repository

    Elafandy, Rami Tarek Mahmoud

    2016-01-28

    A gallium nitride film can be a dislocation free single crystal, which can be prepared by irradiating a surface of a substrate and contacting the surface with an etching solution that can selectively etch at dislocations.

  18. Neutron forward diffraction by single crystal prisms

    International Nuclear Information System (INIS)

    Abbas, Sohrab; Wagh, Apoorva G.; Strobl, Markus; Treimer, Wolfgang

    2008-01-01

    We have derived analytic expressions for the deflection as well as transmitted fraction of monochromatic neutrons forward diffracted by a single crystal prism. In the vicinity of a Bragg reflection, the neutron deflection deviates sharply from that for an amorphous prism, exhibiting three orders of magnitude greater sensitivity to the incidence angle. We have measured the variation of neutron deflection and transmission across a Bragg reflection, for several single crystal prisms. The results agree well with theory. (author)

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

    Science.gov (United States)

    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.

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

    Science.gov (United States)

    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.

  1. Electrically Anisotropic Layered Perovskite Single Crystal

    KAUST Repository

    Li, Ting-You

    2016-04-01

    Organic-inorganic hybrid perovskites (OIHPs), which are promising materials for electronic and optoelectronic applications (1-10), have made into layered organic-inorganic hybrid perovskites (LOIHPs). These LOIHPs have been applied to thin-film transistors, solar cells and tunable wavelength phosphors (11-18). It is known that devices fabricated with single crystal exhibit the superior performance, which makes the growth of large-sized single crystals critical for future device applications (19-23). However, the difficulty in growing large-sized LOIHPs single crystal with superior electrical properties limits their practical applications. Here, we report a method to grow the centimeter-scaled LOIHP single crystal of [(HOC2H4NH3)2PbI4], demonstrating the potentials in mass production. After that, we reveal anisotropic electrical and optoelectronic properties which proved the carrier propagating along inorganic framework. The carrier mobility of in-inorganic-plane (in-plane) devices shows the average value of 45 cm2 V–1 s–1 which is about 100 times greater than the record of LOIHP devices (15), showing the importance of single crystal in device application. Moreover, the LOIHP single crystals show its ultra-short carrier lifetime of 42.7 ps and photoluminescence quantum efficiency (PLQE) of 25.4 %. We expect this report to be a start of LOIHPs for advanced applications in which the anisotropic properties are needed (24-25), and meets the demand of high-speed applications and fast-response applications.

  2. Piezoelectric properties of electrospun nanofibers of BaTiO3; Propiedades piezoeletricas de nanofibras eletrofiadas de BaTiO3

    Energy Technology Data Exchange (ETDEWEB)

    Carvalho, L.F.R.M.; Melo, G.F.; Goncalves, A.M.; Eiras, J.A.; Bretas, R.E.S., E-mail: bretas@ufscar.br [Universidade Federal de Sao Carlos (UFSCar), SP (Brazil)

    2016-07-01

    BaTiO3 nanofibers were produced by the electrospinning method from a mixture of a solution of the precursors Ba (CH{sub 3}COO){sub 2} and [(CH{sub 3}){sub 2}CHO]{sub 4}Ti in acetic acid and a solution of poly(vinylpyrrolidone) in ethanol. A voltage of 10 kV and a working distance of 4.6 cm were used for the electrospinning, at controlled room temperature and humidity of 21 °C and 60% respectively. Nanofibers as spun were dried in air on an air-circulating oven at 100 °C for one hour to remove residual solvent and were subsequently calcined at 750 °C during 2 h. The morphology, crystallographic structure and piezoelectric properties of the nanofibers were analyzed by scanning electron microscopy (SEM), X-ray angle (WAXS) and Piezoresponse Force Microscopy (PFM), respectively. The average diameter of the nanofibers was 414 nm with an aspect ratio of 40. By PFM, there was strong evidence that the nanofibers had piezoelectric activity. (author)

  3. Single Crystals Grown Under Unconstrained Conditions

    Science.gov (United States)

    Sunagawa, Ichiro

    Based on detailed investigations on morphology (evolution and variation in external forms), surface microtopography of crystal faces (spirals and etch figures), internal morphology (growth sectors, growth banding and associated impurity partitioning) and perfection (dislocations and other lattice defects) in single crystals, we can deduce how and by what mechanism the crystal grew and experienced fluctuation in growth parameters through its growth and post-growth history under unconstrained condition. The information is useful not only in finding appropriate way to growing highly perfect and homogeneous single crystals, but also in deciphering letters sent from the depth of the Earth and the Space. It is also useful in discriminating synthetic from natural gemstones. In this chapter, available methods to obtain molecular information are briefly summarized, and actual examples to demonstrate the importance of this type of investigations are selected from both natural minerals (diamond, quartz, hematite, corundum, beryl, phlogopite) and synthetic crystals (SiC, diamond, corundum, beryl).

  4. Estudio del mecanismo de compensación de BaTiO3 dopado con La2O3

    Directory of Open Access Journals (Sweden)

    Castro, M. S.

    2004-06-01

    Full Text Available In this work, the incorporation of several concentrations of the La3+ ion into the BaTiO3 lattice was studied. It was verified that low La3+ concentrations inhibits the grain growth and produces a highly densified material. However, a delay in the sintering behavior in ceramics with high doping concentrations was observed. The La3+ donor incorporation in the BaTiO3 modified the defects structure, favored titanium vacancies formation, and stabilized a pseudocubic phase. This effect influences the dielectric properties and the cubic-tetragonal transition temperature.En este trabajo se estudió la incorporación del ión La3+ en la red de BaTiO3. Se comprobó que bajas concentraciones de La3+ inhiben el crecimiento de los granos de BaTiO3 significativamente, a la vez que originan un material altamente densificado. Sin embargo, se confirmó que existe un límite de concentración de La2O3 a partir del cual se observó un retardo en el sinterizado del BaTiO3. La incorporación de La3+ como donor en el BaTiO3 modificó su estructura de defectos, favoreció la formación de vacantes de titanio y lo estabilizó en una fase pseudocúbica. Este efecto también se refleja en las propiedades dieléctricas del material y en la temperatura de transición de fases cúbica-tetragonal.

  5. Electrical properties of (1 0 0)-predominant BaTiO3 films derived from alkoxide solutions of two concentrations

    International Nuclear Information System (INIS)

    Guo Yiping; Suzuki, Kazuyuki; Nishizawa, Kaori; Miki, Takeshi; Kato, Kazumi

    2006-01-01

    Lead-free piezoelectric films with thickness larger than 1 μm integrated on silicon substrates have been receiving considerable attention because of environmental concerns and their potential applications in microelectromechanical systems. We demonstrate that, by chemical solution deposition, it is possible to process (1 0 0)-predominant 1 μm BaTiO 3 films on LaNiO 3 /Pt/TiO x /SiO 2 /Si substrates using thinner high-crystallinity columnar BaTiO 3 films as buffer layers. We point out that this kind of buffer layer prepared with a lower concentration solution on the surface of an LaNiO 3 /Pt electrode is effective in enhancing the crystallinity and orientation degree of final BaTiO 3 films prepared with a higher concentration solution. The 1 μm BaTiO 3 films show good dielectric and insulating characteristics against an applied field, and the conduction current shows Schottky emission behavior at modest voltage and space-charge-limited behavior at higher voltage. We also demonstrate that the (1 0 0)-predominant 1 μm BaTiO 3 films have excellent piezoelectric properties: piezoelectric coefficients d 33 higher than 50 pm/V have been determined for the bare films using atomic force microscopy, which are comparable to those of Pb(Zr,Ti)O 3 films. These results indicate that the (1 0 0)-predominant BaTiO 3 films should be promising candidates for microelectromechanical systems applications

  6. Light Emitting Transistors of Organic Single Crystals

    Science.gov (United States)

    Iwasa, Yoshihiro

    2009-03-01

    Organic light emitting transistors (OLETs) are attracting considerable interest as a novel function of organic field effect transistors (OFETs). Besides a smallest integration of light source and current switching devices, OLETs offer a new opportunity in the fundamental research on organic light emitting devices. The OLET device structure allows us to use organic single crystals, in contrast to the organic light emitting diodes (OLEDs), the research of which have been conducted predominantly on polycrystalline or amorphous thin films. In the case of OFETs, use of single crystals have produced a significant amount of benefits in the studies of pursuit for the highest performance limit of FETs, intrinsic transport mechanism in organic semiconductors, and application of the single crystal transistors. The study on OLETs have been made predominantly on polycrystalline films or multicomponent heterojunctions, and single crystal study is still limited to tetracene [1] and rubrene [2], which are materials with relatively high mobility, but with low photoluminescence efficiency. In this paper, we report fabrication of single crystal OLETs of several kinds of highly luminescent molecules, emitting colorful light, ranging from blue to red. Our strategy is single crystallization of monomeric or oligomeric molecules, which are known to have a very high photoluminescence efficiency. Here we report the result on single crystal LETs of rubrene (red), 4,4'-bis(diphenylvinylenyl)-anthracene (green), 1,4-bis(5-phenylthiophene-2-yl)benzene (AC5) (green), and 1,3,6,8-tetraphenylpyrene (TPPy) (blue), all of which displayed ambipolar transport as well as peculiar movement of voltage controlled movement of recombination zone, not only from the surface of the crystal but also from the edges of the crystals, indicting light confinement inside the crystal. Realization of ambipolar OLET with variety of single crystals indicates that the fabrication method is quite versatile to various light

  7. Ionic conductivity of oxygen in BaTiO3, Ba0.9A0.1TiO3-δ (A: Li+, Na+, Ca2+), and BaTi0.9B0.1O3-δ (B: V3+, Cr3+, Si4+) crystals with cubic perovskite structure as cathode in fuel cell: A molecular dynamics study

    Science.gov (United States)

    Araghi, Houshang; Rezaee, Sasan; Zabihi, Zabiholah

    2018-02-01

    Oxygen ions diffusion in the perfect barium titanate (BaTi O3), Ba0.9A0.1TiO3-δ (A: Li+, Na+, Ca2+), and BaTi0.9B0.1O3-δ(B: V3+, Cr3+, Si4+) crystals using molecular dynamics, in order to improve the ionic conductivity of BaTi O3 as a cathode in fuel cells have been investigated. In this study, the interactions between the ions are modeled by the Buckingham and electrostatic potentials. The results of investigations into BaTi O3 structures including Li+, Na+, Ca2+, V3+, Cr3+ and Si4+, indicated that Li+ cation improves oxygen ions diffusion and thus the ionic conductivity of BaTi O3 is better than the others. In addition, it found that suitable site for doped external cations (Li+, Na+, Ca2+, V3+, Cr3+ and Si4+) to improve ionic conductivity of oxygen in AB O3 Perovskite, is A-site. Also, investigation into migration and distribution of doped external cations showed that these cations refrain from the formation of cation clusters with a good approximation.

  8. Core – Shell structures in Sb – doped BaTiO3

    Directory of Open Access Journals (Sweden)

    Castro, M. S.

    2002-02-01

    Full Text Available In this work, fine – grained microstructures have been obtained after sintering BaTiO3 doped with an organic precursor of antimonium. In this compound, the development of a core – shell structure in the grains takes place influencing on the final grain size and electrical properties of the material. Samples were characterised by Scanning Electron Microscopy (SEM, X – ray diffraction (XRD analysis, and dielectric constant – temperature curves. Strong inhibition of the grain growth is observed in Sb-doped BaTiO3. Besides, dielectric constant vs temperature curves show the contribution of two regions, corresponding to the grain boundaries and the grain bulk. According to the observed properties, the contribution belonging to the shell region becomes more important as the dopant content and the sintering temperature rise.En el presente trabajo se han obtenido materiales de BaTiO3 dopados con antimonio a partir de un precursor orgánico que presentaron una microestructura homogénea y con tamaño de grano pequeño. En este compuesto se desarrolla una estructura de tipo “core-shell” en los granos que afecta tanto al tamaño de grano final como a las propiedades eléctricas del material. Las muestras fueron analizadas mediante Microscopía Electrónica de Barrido, difracción de rayos-X y la respuesta de la constante dieléctrica frente a la temperatura. Se observó una fuerte inhibición del crecimiento cristalino con la incorporación de antimonio. La respuesta de la constante dieléctrica frente a la temperatura presenta dos contribuciones, una asociada al borde de grano y otra al interior de grano. De acuerdo con las propiedades observadas, la contribución del borde de grano (región “shell” crece en importancia a medida que la concentración de dopante y la temperatura de sinterización aumentan.

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

    Science.gov (United States)

    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.

  10. Crystal plasticity study of single crystal tungsten by indentation tests

    International Nuclear Information System (INIS)

    Yao, Weizhi

    2012-01-01

    Owing to its favorable material properties, tungsten (W) has been studied as a plasma-facing material in fusion reactors. Experiments on W heating in plasma sources and electron beam facilities have shown an intense micro-crack formation at the heated surface and sub-surface. The cracks go deep inside the irradiated sample, and often large distorted areas caused by local plastic deformation are present around the cracks. To interpret the crack-induced microscopic damage evolution process in W, one needs firstly to understand its plasticity on a single grain level, which is referred to as crystal plasticity. In this thesis, the crystal plasticity of single crystal tungsten (SCW) has been studied by spherical and Berkovich indentation tests and the finite element method with a crystal plasticity model. Appropriate values of the material parameters included in the crystal plasticity model are determined by fitting measured load-displacement curves and pile-up profiles with simulated counterparts for spherical indentation. The numerical simulations reveal excellent agreement with experiment. While the load-displacement curves and the deduced indentation hardness exhibit little sensitivity to the indented plane at small indentation depths, the orientation of slip directions within the crystals governs the development of deformation hillocks at the surface. It is found that several factors like friction, indentation depth, active slip systems, misoriented crystal orientation, misoriented sample surface and azimuthal orientation of the indenter can affect the indentation behavior of SCW. The Berkovich indentation test was also used to study the crystal plasticity of SCW after deuterium irradiation. The critical load (pop-in load) for triggering plastic deformation under the indenter is found to depend on the crystallographic orientation. The pop-in loads decrease dramatically after deuterium plasma irradiation for all three investigated crystallographic planes.

  11. The growth of sapphire single crystals

    Directory of Open Access Journals (Sweden)

    STEVAN DJURIC

    2001-06-01

    Full Text Available Sapphire (Al2O3 single crystals were grown by the Czochralski technique both in air and argon atmospheres. The conditions for growing sapphire single crystals were calculated by using a combination of Reynolds and Grashof numbers. Acritical crystal diameter dc = 20 mm and the critical rate of rotation wc = 20 rpm were calculated from the hydrodynamics of the melt. The value of the rate of crystal growth was experimentally found to be 3.5 mm/h. According to our previous experiments, it was confirmed that three hours exposures to conc. H3PO4 at 593 K was suitable for chemical polishing. Also, three hours exposure to conc.H3PO4 at 523 K was found to be a suitable etching solution. The lattice parameters a = 0.47573 nm and c = 1.29893 nm were determined by X-ray powder diffraction. The obtained results are discussed and compared with published data.

  12. Single Crystal Diffuse Neutron Scattering

    Directory of Open Access Journals (Sweden)

    Richard Welberry

    2018-01-01

    Full Text Available Diffuse neutron scattering has become a valuable tool for investigating local structure in materials ranging from organic molecular crystals containing only light atoms to piezo-ceramics that frequently contain heavy elements. Although neutron sources will never be able to compete with X-rays in terms of the available flux the special properties of neutrons, viz. the ability to explore inelastic scattering events, the fact that scattering lengths do not vary systematically with atomic number and their ability to scatter from magnetic moments, provides strong motivation for developing neutron diffuse scattering methods. In this paper, we compare three different instruments that have been used by us to collect neutron diffuse scattering data. Two of these are on a spallation source and one on a reactor source.

  13. Negative Capacitance in BaTiO3/BiFeO3 Bilayer Capacitors.

    Science.gov (United States)

    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.

  14. Nanoindentation of BaTiO3: dislocation nucleation and mechanical twinning

    International Nuclear Information System (INIS)

    Gaillard, Y; Anglada, M; MacIas, A Hurtado; Munoz-Saldana, J; Trapaga, G

    2009-01-01

    This paper presents a study of the deformation mechanisms of barium titanate under nanoindentation. The (0 0 1) and (1 1 0) crystallographic orientations of BaTiO 3 giant grains were indented and critical mean contact pressures for dislocation nucleation were extracted from the indentation curves. The orientation of the dislocation slip lines was identified by atomic force microscopy, showing that the (1 1 0){1 1 0} glide systems were activated. Twin bands, observed on both orientations, also occur on the {1 1 0} habit planes and actively participate in the accommodation of the plastic deformation. Furthermore, dislocation pile-ups introduced by spherical indentations have shown a close relation between dislocations and twinning formation.

  15. Effect of Electromechanical Properties in Mn-doped BaTiO3

    Science.gov (United States)

    Takenaka, Hiroyuki; Cohen, R. E.

    Experimental studies reported that Mn doping in BaTiO3 could improve their electromechanical properties. In addition, ageing process gives rise to a significant reversible strain effect. Performing density functional theory (DFT) calculations, we find that Mn dopant with oxygen vacancy induces local electric field of 20 MV/m in 2x2x2 (39 atom) supercell. In order to understand effects of the electromechanical properties from phenomenological point of view, we optimize electric enthalpies in Landau-Devonshire model, parametrized from DFT results, under applying electric fields. We show dielectric constant and piezoelectric coefficients from the optimized polarization paths. supported by ONR, the ERC Advanced Grant ToMCaT, and the Carnegie Institution for Science.

  16. Growth and characterization of nonlinear optical single crystals: bis ...

    Indian Academy of Sciences (India)

    methoxy benzoate (C4MB) single crystals were successfully grown by the slow evaporation solution growth technique. The harvested crystals were subjected to single-crystal X-ray diffraction, spectral, optical, thermal and mechanical studies in ...

  17. Single crystal LaB/sub 6/

    Energy Technology Data Exchange (ETDEWEB)

    Noack, M.A.

    1979-07-01

    Single crystals of LaB/sub 6/ were prepared by float zone refining of hot pressed blocks of LaB/sub 6/. The orientations studied were (001), (110), and a high index plane. The resulting crystals and the as-received material were chemically analyzed by vacuum fusion, combustion analysis, self-arc mass spectroscopy, and wet chemical analysis. The first two provided accurate analysis for O, N, H, and C. The remaining elements except for La and B were determined by mass spectroscopy. The wet chemical analyses determined the B/La ratio. Two batches of as-received material had B/La ratios of 6.0 and 5.8, respectively. Slightly lower B/La ratios were obtained in the single crystals grown by the float zone technique from these materials. The single crystals were further characterized by measurements of lattice parameter and density. Work function values were determined by the FERP method and the thermionic method. Work function measurements in conjunction with Auger analysis of the crystals provided insight into the electron emission character of LaB/sub 6/. Results indicate that for maximum emission from a crystal plane a proper heat treatment is necessary. Brightness of the crystals was measured in a Cambridge S-4 scanning electron microscope using a Broers type gun. Results show that a brightness of 10/sup 6/ amp/cm/sup 2/ steradian (20kV) may be achieved with a single crystal LaB/sub 6/ cathode operating at a temperature of 1900/sup 0/K which corresponds to a lifetime greater than 500 hrs for 1 mm cathodes.

  18. Sputtering yield measurements on single crystal cobalt

    International Nuclear Information System (INIS)

    Chernysh, V.S.; Johansen, A.; Sarholt-Kristensen, L.

    1981-01-01

    Single crystals of cobalt have been bombarded with 80 keV A + ions in the direction of the h.c.p. structure and in the direction of the f.c.c. structure. The sputtering yields, measured by the weight loss method, depend on the crystal structure, and damage, introduced by the ion bombardment, is shown to play a significant role in the explanation of the measured sputtering yields. (Auth.)

  19. Microstructural and dielectrical characterization of Ho doped BaTiO3 ceramics

    Directory of Open Access Journals (Sweden)

    Marjanović Miloš

    2014-01-01

    Full Text Available The Ho doped BaTiO3 ceramics, with different Ho2O3 content, ranging from 0.01 to 1.0 wt % Ho, were investigated regarding their microstructural and dielectric characteristics. Doped BaTiO3 were prepared using conventional solid state reaction and sintered at 1380°C for four hours. SEM analysis of Ho/BaTiO3 doped ceramics showed that the low doped samples exhibit mainly fairly uniform and homogeneous microstructure with the grain size ranged from 20-40 μm. In the samples with the higher dopant concentration the abnormal grain growth is inhibited and the grain size ranged between 2-10 μm. Measurements of dielectric properties were carried out as a function of temperature up to 180 °C at different frequencies. The samples doped with 0.01wt % of Ho, exhibit the high value of dielectric permittivity (εr = 2160 at room temperature. A nearly flat permittivity-response was obtained in specimens with higher additive content. Using a Curie-Weiss law and modified Curie-Weiss law the Curie constant (C, Curie temperature (Tc and a critical exponent of nonlinearity (g were calculated. The Curie temperature of doped samples were ranged from 128 to 130°C. The Curie constant for all series of samples decrease with increase of dopant concentration and the lowest values were observed on samples doped with 0.01 wt % of holmium. [Projekat Ministarstva nauke Republike Srbije, br. OI 172057: Directed synthesis, structure and properties of multifunctional materials i br. TR 32026

  20. Single chirality through crystal grinding

    NARCIS (Netherlands)

    Noorduin, W.L.

    2010-01-01

    The properties of chiral molecules in living organisms can be different for left- and right-handed molecules. Therefore, ways to produce molecules of single handedness are of paramount importance, especially for economical, high yielding processes to synthesize pharmaceutical compounds that must be

  1. A first-principles study of phase transitions in ultrathin films of BaTiO 3

    Indian Academy of Sciences (India)

    We determine the effects of film thickness, epitaxial strain and the nature of electrodes on ferroelectric phase transitions in ultrathin films of BaTiO3 using a first-principles effective Hamiltonian in classical molecular dynamics simulations. We present results for polarization and dielectric properties as a function of temperature ...

  2. Significantly Enhanced Energy Storage Density by Modulating the Aspect Ratio of BaTiO3Nanofibers.

    Science.gov (United States)

    Zhang, Dou; Zhou, Xuefan; Roscow, James; Zhou, Kechao; Wang, Lu; Luo, Hang; Bowen, Chris R

    2017-03-23

    There is a growing need for high energy density capacitors in modern electric power supplies. The creation of nanocomposite systems based on one-dimensional nanofibers has shown great potential in achieving a high energy density since they can optimize the energy density by exploiting both the high permittivity of ceramic fillers and the high breakdown strength of the polymer matrix. In this paper, BaTiO 3 nanofibers (NFs) with different aspect ratio were synthesized by a two-step hydrothermal method and the permittivity and energy storage of the P(VDF-HFP) nanocomposites were investigated. It is found that as the BaTiO 3 NF aspect ratio and volume fraction increased the permittivity and maximum electric displacement of the nanocomposites increased, while the breakdown strength decreased. The nanocomposites with the highest aspect ratio BaTiO 3 NFs exhibited the highest energy storage density at the same electric field. However, the nanocomposites with the lowest aspect ratio BaTiO 3 NFs achieved the maximal energy storage density of 15.48 J/cm 3 due to its higher breakdown strength. This contribution provides a potential route to prepare and tailor the properties of high energy density capacitor nanocomposites.

  3. Significantly Enhanced Energy Storage Density by Modulating the Aspect Ratio of BaTiO3 Nanofibers

    Science.gov (United States)

    Zhang, Dou; Zhou, Xuefan; Roscow, James; Zhou, Kechao; Wang, Lu; Luo, Hang; Bowen, Chris R.

    2017-03-01

    There is a growing need for high energy density capacitors in modern electric power supplies. The creation of nanocomposite systems based on one-dimensional nanofibers has shown great potential in achieving a high energy density since they can optimize the energy density by exploiting both the high permittivity of ceramic fillers and the high breakdown strength of the polymer matrix. In this paper, BaTiO3 nanofibers (NFs) with different aspect ratio were synthesized by a two-step hydrothermal method and the permittivity and energy storage of the P(VDF-HFP) nanocomposites were investigated. It is found that as the BaTiO3 NF aspect ratio and volume fraction increased the permittivity and maximum electric displacement of the nanocomposites increased, while the breakdown strength decreased. The nanocomposites with the highest aspect ratio BaTiO3 NFs exhibited the highest energy storage density at the same electric field. However, the nanocomposites with the lowest aspect ratio BaTiO3 NFs achieved the maximal energy storage density of 15.48 J/cm3 due to its higher breakdown strength. This contribution provides a potential route to prepare and tailor the properties of high energy density capacitor nanocomposites.

  4. Asymmetric Freedericksz transitions from symmetric liquid crystal cells doped with harvested ferroelectric nanoparticles.

    Science.gov (United States)

    Cook, G; Reshetnyak, V Yu; Ziolo, R F; Basun, S A; Banerjee, P P; Evans, D R

    2010-08-02

    The electrical Freedericksz transition characteristics of planar aligned liquid crystal cells doped with harvested single ferroelectric domain 9 nm nanoparticles of BaTiO(3) have been measured. We demonstrate for the first time that the electrical pre-history of the cells imparts significant polarity sensitivity to the Freedericksz characteristics. The presence of harvested single domain ferroelectric nanoparticles enables cells to be programmably semi-permanently polarized. This reduces or increases the Freedericksz transition threshold by 0.8 V, depending on the polarity of the applied voltage, giving a net 1.6 V Freedericksz threshold asymmetry for 8 mum thick cells filled with TL205 liquid crystal.

  5. BaTiO3–P(VDF-HFP) nanocomposite dielectrics—Influence of surface modification and dispersion additives

    International Nuclear Information System (INIS)

    Ehrhardt, Claudia; Fettkenhauer, Christian; Glenneberg, Jens; Münchgesang, Wolfram; Pientschke, Christoph; Großmann, Thomas; Zenkner, Mandy; Wagner, Gerald; Leipner, Hartmut S.; Buchsteiner, Alexandra; Diestelhorst, Martin; Lemm, Sebastian; Beige, Horst; Ebbinghaus, Stefan G.

    2013-01-01

    Highlights: • Polymer composites were prepared using a sol–gel synthesized BaTiO 3 . • BaTiO 3 surface hydroxyle groups act as linkers for surfactant molecules. • The effect of chemical adjustment between surfactant and polymer host is studied. • A positive effect of an additional dispersant was found. • Dielectric properties of the resulting composite films are presented. -- Abstract: We report on BaTiO 3 –polymer composites as dielectrics for film capacitors. BaTiO 3 was synthesized by a sol–gel soft-chemistry method leading to spherical nanoparticles with a high degree of surface hydroxyl groups which turned out to be important for the bonding of surfactant molecules. As surfactants, n-octylphosphonic acid and 2,3,4,5,6-pentafluorobenzyl phosphonic acid were used to inhibit particle agglomeration and to improve the wetting behaviour with the polymer. The phosphonic acid-coated BaTiO 3 nanoparticles were dispersed in solutions of poly(vinylidefluoride-co-hexafluoropropylene). Composite films were prepared by the spin-coating technique. A systematic study was performed on the influence of varying oxide fractions, different surfactants and the effect of additional dispersion aids such as sodium dodecyl sulphate or BYK-W 9010 on the quality and dielectric properties of the films obtained. The chemical adjustment of the 2,3,4,5,6-pentaflourobenzyl phosphonic acid within the fluorinated organic host form a more uniform particle distribution and increase relative permittivity of the resulting composite material compared to the unflourinated surfactant. Additionally, an enhancement of the relative permittivity can be realized by adding of dispersants. These two components can increase the relative permittivity by factor 5 compared to the pure polymer material

  6. Mechanical Properties Of Single Crystal Ceramics

    Science.gov (United States)

    Rowcliffe, D. J.; Johnson, S. M.

    1987-03-01

    Approaches to characterizing the mechanical behavior of single crystal ceramics are reviewed. Consideration is given to techniques applicable to large crystals and to indentation techniques that can be used on crystals of 1 mm or less. The importance of flaws in controlling the mechanical behavior of brittle ceramics is discussed, leading to an emphasis on fracture mechanics methods. These techniques are applicable to the determination of fracture toughness and to the measurement of slow crack growth in aggresive environments. Indentation processes have been analyzed extensively and the good understanding of stress fields and micro-mechanics of indentation has led to techniques to measure hardness, toughness and elastic modulus. Measurements of hardness anistropy can be used to determine slip planes and also provide considerable information on local plastic flow in brittle crystals.

  7. X-(2) Modulator With 40-GHz Modulation Utilizing BaTiO3 Photonic Crystal Waveguides

    DEFF Research Database (Denmark)

    Girouard, Peter David; Chen, Pice; Jeong, Young Kyu

    2017-01-01

    Future telecommunication and data center networks as well as quantum optical communication systems will require optical modulators with wide bandwidths, large extinction, low operating voltage, and small size. We report the first quantitative demonstration of slow light enhancement of the electro...

  8. Systematic hardness measurements on single crystals and ...

    Indian Academy of Sciences (India)

    Vickers and knoop hardness measurements were carried out on CsBr and CsI single crystals. Polycrystalline blanks of CsCl, CsBr and CsI were prepared by melting and characterized by X-ray diffraction. Vickers hardness measurements were carried out on these blanks. The hardness values were correlated with the lattice ...

  9. High Field Magnetization of Tb Single Crystals

    DEFF Research Database (Denmark)

    Roeland, L. W.; Cock, G. J.; Lindgård, Per-Anker

    1975-01-01

    The magnetization of Tb single crystals was measured in magnetic fields to 34T along the hard direction at temperature of 1.8, 4.2, 65.5 and 77K, and along with easy direction at 4.2 and 77K. The data are compared with the results of a self-consistent spin wave calculation using a phenomenological...

  10. Neutron forward diffraction by single crystal prisms

    Indian Academy of Sciences (India)

    Abstract. We have derived analytic expressions for the deflection as well as transmitted fraction of monochromatic neutrons forward diffracted by a single crystal prism. In the vicinity of a Bragg reflection, the neutron deflection deviates sharply from that for an amorphous prism, exhibiting three orders of magnitude greater ...

  11. Neutron forward diffraction by single crystal prisms

    Indian Academy of Sciences (India)

    We have derived analytic expressions for the deflection as well as transmitted fraction of monochromatic neutrons forward diffracted by a single crystal prism. In the vicinity of a Bragg reflection, the neutron deflection deviates sharply from that for an amorphous prism, exhibiting three orders of magnitude greater sensitivity to ...

  12. Antiferromagnetism in chromium alloy single crystals

    DEFF Research Database (Denmark)

    Bjerrum Møller, Hans; Trego, A.L.; Mackintosh, A.R.

    1965-01-01

    The antiferromagnetism of single crystals of dilute alloys of V, Mn and Re in Cr has been studied at 95°K and 300°K by neutron diffraction. The addition of V causes the diffraction peaks to decrease in intensity and move away from (100), while Mn and Re cause them to increase and approach (100) s...

  13. Lattice effects in YVO3 single crystal

    NARCIS (Netherlands)

    Marquina, C; Sikora, M; Ibarra, MR; Nugroho, AA; Palstra, TTM

    In this paper we report on the lattice effects in the Mott insulator yttrium orthovanadate (YVO3). Linear thermal expansion and magnetostriction experiments have been performed on a single crystal, in the temperature range from 5 K to room temperature. The YVO3 orders antiferromagnetically at T-N =

  14. Method for manufacturing a single crystal nanowire

    NARCIS (Netherlands)

    van den Berg, Albert; Bomer, Johan G.; Carlen, Edwin; Chen, S.; Kraaijenhagen, Roderik Adriaan; Pinedo, Herbert Michael

    2013-01-01

    A method for manufacturing a single crystal nano-structure is provided comprising the steps of providing a device layer with a 100 structure on a substrate; providing a stress layer onto the device layer; patterning the stress layer along the 110 direction of the device layer; selectively removing

  15. Method for manufacturing a single crystal nanowire

    NARCIS (Netherlands)

    van den Berg, Albert; Bomer, Johan G.; Carlen, Edwin; Chen, S.; Kraaijenhagen, R.A.; Pinedo, Herbert Michael

    2010-01-01

    A method for manufacturing a single crystal nano-structure is provided comprising the steps of providing a device layer with a 100 structure on a substrate; providing a stress layer onto the device layer; patterning the stress layer along the 110 direction of the device layer; selectively removing

  16. Single-Crystal Germanium Core Optoelectronic Fibers

    Energy Technology Data Exchange (ETDEWEB)

    Ji, Xiaoyu [Department of Materials Science and Engineering, Materials Research Institute, Pennsylvania State University, University Park PA 16802 USA; Page, Ryan L. [Department of Materials Science and Engineering, Materials Research Institute, Pennsylvania State University, University Park PA 16802 USA; Chaudhuri, Subhasis [Department of Chemistry, Pennsylvania State University, University Park PA 16802 USA; Liu, Wenjun [Advanced Photon Source, Argonne National Laboratory, Argonne IL 60439 USA; Yu, Shih-Ying [Department of Materials Science and Engineering, Materials Research Institute, Pennsylvania State University, University Park PA 16802 USA; Mohney, Suzanne E. [Department of Materials Science and Engineering, Materials Research Institute, Pennsylvania State University, University Park PA 16802 USA; Badding, John V. [Department of Materials Science and Engineering, Materials Research Institute, Pennsylvania State University, University Park PA 16802 USA; Department of Chemistry, Pennsylvania State University, University Park PA 16802 USA; Department of Physics, Pennsylvania State University, University Park PA 16802 USA; Gopalan, Venkatraman [Department of Materials Science and Engineering, Materials Research Institute, Pennsylvania State University, University Park PA 16802 USA

    2016-09-19

    Synthesis and fabrication of high-quality, small-core single-crystal germanium fibers that are photosensitive at the near-infrared and have low optical losses ≈1 dB cm-1 at 2 μm are reported. These fibers have potential applications in fiber-based spectroscopic imaging, nonlinear optical devices, and photodetection at the telecommunication wavelengths.

  17. Ajuste teórico de las curvas PTCR de BaTiO3 dopado con niobio

    Directory of Open Access Journals (Sweden)

    Castro, M. S.

    2002-02-01

    Full Text Available In this work, a theoretical fitting to the experimental PTCR effect in slightly Nb-doped BaTiO3 from the Heywang-Jonker model is simulated. Besides, a qualitative approach was used to evaluate the GBBL characteristics of strongly Nb - doped BaTiO3. In both cases, a link between the electrical properties and the defect profile developed in these based - BaTiO3 ceramics was established. From the results, good agreement between experimental and calculated results was obtained for the PTCR ceramics. Asmall increment in Nb2O5 concentration leads to an increasing in the concentration of occupied acceptor states, the energy of the surface state and also the barrier height. In these cases, microstructural observations shown an important grain growth with average grain size between 10 and 100μm. EPR results clearly indicate low concentration of cationic vacancies for these materials. This phenomenon is associated to a charge-compensation mechanism in slightly-doped BaTiO3, that result in a semiconducting behaviour. On the other hand, the electrical behaviour of strongly–doped BaTiO3 moves away from the PTCR effect, and the material becomes insulating with noticeable GBBL characteristics. In this case, microstructural observations along defect structure analysis encourage the hypothesis in which barium vacancies act as acceptor at grain boundaries and play and important role in restricting grain growth of Nb2O5-BaTiO3 ceramics.En este trabajo se determinó la influencia de la concentración de Nb2O5 sobre el comportamiento PTCR de cerámicos basados en BaTiO3. Por otra parte, se estudió el impacto de una gran concentración del dopante sobre el comportamiento GBBL del BaTiO3. En ambos casos, se estableció una relación entre las propiedades eléctricas observadas y la estructura de defectos iónicos desarrollada. La aplicación del modelo de Heywang-Jonker permite el ajuste teórico de las curvas de resistividad – temperatura de los cerámicos PTCR estudiados. Se determinó que la incorporación de concentraciones crecientes de Nb2O5 se traduce en un incremento de la densidad de estados aceptores, en la energía de estados superficiales y en la altura de la barrera de potencial a temperatura ambiente. En estos materiales, la presencia de un mecanismo de compensación de cargas electrónico en granos que han alcanzado un gran desarrollo, origina un comportamiento tipo semiconductor. Sin embargo, la incorporación de altas concentraciones de Nb2O5 provoca una alejamiento del comportamiento PTCR y el material exhibe un efecto NTCR junto con fuertes características GBBL (grain boundary – barrier layer. Las observaciones microscópicas y el análisis de la estructura de defectos iónicos respaldan la hipótesis en la que las vacantes de bario actúan como estados aceptores y ejercen un importante rol en la inhibición del crecimiento de grano durante el sinterizado del BaTiO3 dopado con Nb2O5.

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

    Science.gov (United States)

    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.

  19. Friction stir welding of single crystal aluminium

    DEFF Research Database (Denmark)

    Fonda, Richard Warren; Wert, John A.; Reynolds, A.P.

    2007-01-01

    Friction stir welds were prepared in different orientations in an aluminium single crystal. The welds were quenched to preserve the microstructure surrounding the tool and then electron backscattered diffraction was used to reveal the generation of grain boundaries and the evolution...... to new crystal orientations, producing new grain boundaries in the process. These refined grains develop a {112}. texture closer to the tool. Large conventionally recrystallised grains sometimes form in the outer regions of the refined grain structure, but become ever more deformed as they approach...

  20. Fabrication of BaTiO3/Ni composite particles and their electro-magneto responsive properties

    International Nuclear Information System (INIS)

    Lu, Yaping; Gao, Lingxiang; Wang, Lijuan; Xie, Zunyuan; Gao, Meixiang; Zhang, Weiqiang

    2017-01-01

    Graphical abstract: The spherical BaTiO 3 /Ni particles with excellent structure were made by one-step method through fixing the metal Ni(0) reduced by a specific reducing agent (N 2 H 4 ·H 2 O) on the surface of the BaTiO 3 particles with grain diameter of ∼500 nm. BaTiO 3 /Ni particle has double responses of electric and magnetic field simultaneously. Consequentially, coating magnetic metal on BT particle is proposed an effective method to prepare novel electro-magneto responsive particles and one basis of electro-magneto responsive elastomers. - Highlights: • The BaTiO 3 /Ni composite particles were fabricated. • The content of Ni(0) in nickel sheath is 70.2%. • The BaTiO 3 /Ni particles have double responses of electric and magnetic field. - Abstract: BaTiO 3 (BT)/Ni composite particles were made by one-step method through agglomerating the metal Ni(0) nanoparticles reduced by a specific reducing agent (N 2 H 4 ·H 2 O) on the surface of BT sphere with diameter of ∼500 nm. The BT/Ni composite particles were characterized by the means of scanning electron microscope (SEM), transmission electron microscopy (TEM), X-ray diffractometer (XRD) and X-ray photoelectron spectroscopy (XPS). In BT/Ni particles, pure BT spherical particle was coated with Ni nanoparticles agglomerated on its surface. The average thickness of the Ni sheath was ∼30 nm and the content of Ni(0) and Ni (II) in the sheath were 70.2% and 29.8%, respectively. The responsive effects of BT/Ni particles filled in hydrogel elastomer were investigated by the viscoelastic properties. The results indicate that the BT/Ni particles exhibit electro and magneto coordinated responsive properties (E = 1 kV/mm, H = 0.1 T/mm), which is superior to BT particles with individual electro response.

  1. Structural and electrical properties of Barium Titanate (BaTiO3 and Neodymium doped BaTiO3 (Ba0.995Nd0.005TiO3

    Directory of Open Access Journals (Sweden)

    Tuan Sulong Tuan Amirah

    2017-01-01

    Full Text Available Barium titanate (BaTiO3 and Neodymium (Nd doped BaTiO3 with composition Ba0.995Nd0.005TiO3 were prepared using conventional solid state reaction method to study the dielectric properties of materials. Pure phase samples were found at final heating temperature of 1400°C for overnight. X-ray diffraction analysis reveals the changes in the lattice parameter and unit cell volume of the pure perovskite tetragonal structure with space group (P4mm. Electrical analysis is carried out to investigate the dielectric properties, conductivity behaviour and dielectric loss of BaTiO3 and Ba0.995Nd0.005TiO3. Ba0.995Nd0.005TiO3 have a broaden dielectric peaks with high permittivity of 8000 and reasonably low loss tan δ which is about 0.004 (1 kHz.

  2. Irradiation creep in zirconium single crystals

    International Nuclear Information System (INIS)

    MacEwen, S.R.; Fidleris, V.

    1976-07-01

    Two identical single crystals of crystal bar zirconium have been creep tested in reactor. Both specimens were preirradiated at low stress to a dose of about 4 x 10 23 n/m 2 (E > 1 MeV), and were then loaded to 25 MPa. The first specimen was loaded with reactor at full power, the second during a shutdown. The loading strain for both crystals was more than an order of magnitude smaller than that observed when an identical unirradiated crystal was loaded to the same stress. Both crystals exhibited periods of primary creep, after which their creep rates reached nearly constant values when the reactor was at power. During shutdowns the creep rates decreased rapidly with time. Electron microscopy revealed that the irradiation damage consisted of prismatic dislocation loops, approximately 13.5 nm in diameter. Cleared channels, identified as lying on (1010) planes, were also observed. The results are discussed in terms of the current theories for flux enhanced creep in the light of the microstructures observed. (author)

  3. Symmetry, strain, defects, and the nonlinear optical response of crystalline BaTiO3/silicon

    Science.gov (United States)

    Kormondy, Kristy; Abel, Stefan; Popoff, Youri; Sousa, Marilyne; Caimi, Daniele; Siegwart, Heinz; Marchiori, Chiara; Rossell, Marta; Demkov, Alex; Fompeyrine, Jean

    Recent progress has been made towards exploiting the linear electro-optic or Pockels effect in ferroelectric BaTiO3 (BTO) for novel integrated silicon photonics devices. In such structures, the crystalline symmetry and domain structure of BTO determine which electro-optic tensor elements are accessible under application of an external electric field. For epitaxial thin films of BTO on Si (001), the role of defects in strain relaxation can lead to very different crystalline symmetry even for films of identical thickness. Indeed, through geometric phase analysis of high-resolution scanning transmission electron microscopy images, we map changes of the in-plane and out-of-plane lattice parameters across two 80-nm-thick BTO films. A corresponding 20% difference in the effective electro-optic response was measured by analyzing induced rotation of the polarization of a laser beam (λ = 1550 nm) transmitted through lithographically defined electrodes. Understanding, controlling, and modelling the role of BTO symmetry in nonlinear optics is of fundamental importance for the development of a hybrid BTO/Si photonics platform.. Work supported by the NSF (IRES-1358111), AFOSR (FA9550-12-10494), and European Commission (FP7-ICT-2013-11-619456-SITOGA).

  4. Synthesis and size control of monodispersed BaTiO3–PVP nanoparticles

    Directory of Open Access Journals (Sweden)

    Jinhui Li

    2016-12-01

    Full Text Available Monodispersed, spherical nanoparticles of the BaTiO3–polyvinylpyrrolidone (BT–PVP composite were synthesized through the surface modification of the oxide BT by the polymer PVP, using TiCl4, BaCl2, PVP, and KOH (as the mineralizer in an aqueous solution. To reduce the size of the particles and ensure that they were monodispersed, the concentrations of the Ba and Ti sources were increased and the reaction parameters such as reaction temperature, reaction time, and KOH concentration were optimized. As a result, monodispersed BT–PVP particles with an average diameter of 114 nm (coefficient of variation, CV = 20.0% were obtained from a Ba-rich solution ([Ti]/[Ba] = 0.2 M:0.3 M; [KOH] = 1.4 M, and their dynamic light scattering in an aqueous suspension demonstrated that the average diameter was 162 nm (CV = 26.6%. A higher KOH concentration resulted in smaller particles, but the excess KOH promoted particle aggregation and PVP gelation. The mechanism of dispersion and aggregation of BT–PVP will be discussed in detail.

  5. Piezoelectric properties of electrospun nanofibers of BaTiO3

    International Nuclear Information System (INIS)

    Carvalho, L.F.R.M.; Melo, G.F.; Goncalves, A.M.; Eiras, J.A.; Bretas, R.E.S.

    2016-01-01

    BaTiO3 nanofibers were produced by the electrospinning method from a mixture of a solution of the precursors Ba (CH 3 COO) 2 and [(CH 3 ) 2 CHO] 4 Ti in acetic acid and a solution of poly(vinylpyrrolidone) in ethanol. A voltage of 10 kV and a working distance of 4.6 cm were used for the electrospinning, at controlled room temperature and humidity of 21 °C and 60% respectively. Nanofibers as spun were dried in air on an air-circulating oven at 100 °C for one hour to remove residual solvent and were subsequently calcined at 750 °C during 2 h. The morphology, crystallographic structure and piezoelectric properties of the nanofibers were analyzed by scanning electron microscopy (SEM), X-ray angle (WAXS) and Piezoresponse Force Microscopy (PFM), respectively. The average diameter of the nanofibers was 414 nm with an aspect ratio of 40. By PFM, there was strong evidence that the nanofibers had piezoelectric activity. (author)

  6. Influence of domain on grain size effects of the dielectric properties of BaTiO3 nanoceramics and nanoparticles

    International Nuclear Information System (INIS)

    Fang Chao; Chen Liangyan; Zhou Dongxiang

    2013-01-01

    The dielectric property of BaTiO 3 nanoparticles and nanoceramics has been studied on the basis of Ginsburg-Landau-Devonshire thermodynamic theory. In this paper, considering nanodomains, Landau coefficients have been written as a function of grain size, and the dielectric constant of the material has been calculated at a variety of temperatures and grain size. The results indicate that with decreasing grain size, the dielectric peak decreases. The two lower dielectric peaks of the orthorhombic-rhombohedral phase and tetragonal-orthorhombic phase move to higher temperature, while cubic-tetragonal phase dielectric peak moves to lower temperature. The dielectric constant of BaTiO 3 ceramics decreases with decreasing grain size. The dielectric constant peak at room temperature is at the grain size which is larger than the critical grain size 17-30 nm. The calculated result is consistent with the experimental data.

  7. Growth of 2-amino-5-chlorobenzophenone single crystal by ...

    Indian Academy of Sciences (India)

    Abstract. Organic single crystals of 2-amino-5-chlorobenzophenone (2A5CB) were grown by Microtube Czochral- ski method using Microtube as a seed. The grown crystals were characterized by single crystal and powder X-ray diffraction. The functional groups of the grown crystal were found using Fourier transform ...

  8. Structure and properties of plasma sprayed BaTiO(3) coatings: Spray parameters versus structure and photocatalytic activity

    Czech Academy of Sciences Publication Activity Database

    Ctibor, Pavel; Ageorges, H.; Štengl, Václav; Murafa, Nataliya; Píš, I.; Zahoranová, T.; Nehasil, V.; Pala, Zdeněk

    2011-01-01

    Roč. 37, č. 7 (2011), s. 2561-2567 ISSN 0272-8842 R&D Projects: GA AV ČR IAAX00430803 Institutional research plan: CEZ:AV0Z20430508; CEZ:AV0Z40320502 Keywords : Spectroscopy * Optical properties * BaTiO3 * Plasma spraying * Photocatalysis Subject RIV: JH - Ceramics, Fire-Resistant Materials and Glass Impact factor: 1.751, year: 2011 http://www.sciencedirect.com/science/article/pii/S0272884211002173

  9. Synthesis and characterization of multilayered BaTiO3/NiFe2O4 thin films

    Directory of Open Access Journals (Sweden)

    Branimir Bajac

    2013-03-01

    Full Text Available Presented research was focused on the fabrication of multiferroic thin film structures, composed of ferrielectric barium titanate perovskite phase and magnetostrictive nickel ferrite spinel phase. The applicability of different, solution based, deposition techniques (film growth from solution, dip coating and spin coating for thefabrication of multilayered BaTiO3 /NiFe2O4 thin films was investigated. It was shown that only spin coating produces films of desired nanostructure, thickness and smooth and crackfree surfaces.

  10. Charge transport in single crystal organic semiconductors

    Science.gov (United States)

    Xie, Wei

    Organic electronics have engendered substantial interest in printable, flexible and large-area applications thanks to their low fabrication cost per unit area, chemical versatility and solution processability. Nevertheless, fundamental understanding of device physics and charge transport in organic semiconductors lag somewhat behind, partially due to ubiquitous defects and impurities in technologically useful organic thin films, formed either by vacuum deposition or solution process. In this context, single-crystalline organic semiconductors, or organic single crystals, have therefore provided the ideal system for transport studies. Organic single crystals are characterized by their high chemical purity and outstanding structural perfection, leading to significantly improved electrical properties compared with their thin-film counterparts. Importantly, the surfaces of the crystals are molecularly flat, an ideal condition for building field-effect transistors (FETs). Progress in organic single crystal FETs (SC-FETs) is tremendous during the past decade. Large mobilities ~ 1 - 10 cm2V-1s-1 have been achieved in several crystals, allowing a wide range of electrical, optical, mechanical, structural, and theoretical studies. Several challenges still remain, however, which are the motivation of this thesis. The first challenge is to delineate the crystal structure/electrical property relationship for development of high-performance organic semiconductors. This thesis demonstrates a full spectrum of studies spanning from chemical synthesis, single crystal structure determination, quantum-chemical calculation, SC-OFET fabrication, electrical measurement, photoelectron spectroscopy characterization and extensive device optimization in a series of new rubrene derivatives, motivated by the fact that rubrene is a benchmark semiconductor with record hole mobility ~ 20 cm2V-1s-1. With successful preservation of beneficial pi-stacking structures, these rubrene derivatives form

  11. In situ inward epitaxial growth of bulk macroporous single crystals.

    Science.gov (United States)

    Chen, Chenlong; Sun, Shujing; Chou, Mitch M C; Xie, Kui

    2017-12-19

    The functionalities of porous materials could be significantly enhanced if the materials themselves were in single-crystal form, which, owing to structural coherence, would reduce electronic and optical scattering effects. However, growing macroporous single crystals remains a fundamental challenge, let alone manufacturing crystals large enough to be of practical use. Here we demonstrate a straightforward, inexpensive, versatile method for creating macroporous gallium nitride single crystals on a centimetre scale. The synthetic strategy is built upon a disruptive crystal growth mechanism that utilises direct nitridation of a parent LiGaO 2 single crystal rendering an inward epitaxial growth process. Strikingly, the resulting single crystals exhibit electron mobility comparable to that for bulk crystals grown by the conventional sodium flux method. This approach not only affords control of both crystal and pore size through synthetic modification, but proves generic, thus opening up the possibility of designing macroporous crystals in a wealth of other materials.

  12. Ferroelectric BaTiO3 thin films on Ti substrate fabricated using pulsed-laser deposition.

    Science.gov (United States)

    He, J; Jiang, J C; Liu, J; Collins, G; Chen, C L; Lin, B; Giurgiutiu, V; Guo, R Y; Bhalla, A; Meletis, E I

    2010-09-01

    We report on the fabrication of ferroelectric BaTiO3 thin films on titanium substrates using pulsed laser deposition and their microstructures and properties. Electron microscopy studies reveal that BaTiO3 films are composed of crystalline assemblage of nanopillars with average cross sections from 100 nm to 200 nm. The BaTiO3 films have good interface structures and strong adhesion with respect to Ti substrates by forming a rutile TiO2 intermediate layer with a gradient microstructure. The room temperature ferroelectric polarization measurements show that the as-deposited BTO films possess nearly the same spontaneous polarization as the bulk BTO ceramics indicating formation of ferroelectric domains in the films. Successful fabrication of such ferroelectric films on Ti has significant importance for the development of new applications such as structural health monitoring spanning from aerospace to civil infrastructure. The work can be extended to integrate other ferroelectric oxide films with various promising properties to monitor the structural health of materials.

  13. Electric and Mechanical Switching of Ferroelectric and Resistive States in Semiconducting BaTiO3-δ Films on Silicon.

    Science.gov (United States)

    Gómez, Andrés; Vila-Fungueiriño, José Manuel; Moalla, Rahma; Saint-Girons, Guillaume; Gázquez, Jaume; Varela, María; Bachelet, Romain; Gich, Martí; Rivadulla, Francisco; Carretero-Genevrier, Adrián

    2017-10-01

    Materials that can couple electrical and mechanical properties constitute a key element of smart actuators, energy harvesters, or many sensing devices. Within this class, functional oxides display specific mesoscale responses which often result in great sensitivity to small external stimuli. Here, a novel combination of molecular beam epitaxy and a water-based chemical-solution method is used for the design of mechanically controlled multilevel device integrated on silicon. In particular, the possibility of adding extra functionalities to a ferroelectric oxide heterostructure by n-doping and nanostructuring a BaTiO 3 thin film on Si(001) is explored. It is found that the ferroelectric polarization can be reversed, and resistive switching can be measured, upon a mechanical load in epitaxial BaTiO 3- δ /La 0.7 Sr 0.3 MnO 3 /SrTiO 3 /Si columnar nanostructures. A flexoelectric effect is found, stemming from substantial strain gradients that can be created with moderate loads. Simultaneously, mechanical effects on the local conductivity can be used to modulate a nonvolatile resistive state of the BaTiO 3- δ heterostructure. As a result, three different configurations of the system become accessible on top of the usual voltage reversal of polarization and resistive states. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. Structural evolution of Ba8Ti3Nb4O24 from BaTiO3 using a series of Ba(Ti1−5xNb4x)O3 solid solutions

    International Nuclear Information System (INIS)

    Barrientos Hernández, F.R.; Lira Hernández, I.A.; Gómez Yáñez, C.; Arenas Flores, A.; Cabrera Sierra, R.; Pérez Labra, M.

    2014-01-01

    Highlights: • The evolution phase Ba 8 Ti 3 Nb 4 O 24 was obtained through the mechanism Ba(Ti 1-5x Nb 4x )O 3 . • Addition of niobium can accelerate grain growth of BaTiO 3 ceramics. • Ba 8 Ti 3 Nb 4 O 24 presents a dielectric loss of 0.0035 and permittivity value of 54.6. • Electrical measurements showed that Nb 5+ content drops Curie temperature. • Samples with x ⩾ 0.0625 shows an insulating behavior. -- Abstract: In this work, the structural evolution of hexagonal phase Ba 8 Ti 3 Nb 4 O 24 by adding Nb 2 O 5 to perovskite structure of BaTiO 3 was investigated. The compositions Ba(Ti 1-5x Nb 4x )O 3 ceramics, with 0.00025 ⩽ x ⩽ 0.125 were prepared by the conventional solid state route in air atmosphere, the powders precursors, BaTiO 3 , BaCO 3 and Nb 2 O 5 , were mixed in stoichiometric proportions and ground in a ball mill using alumina balls and acetone. The mixed powders were calcined at temperatures up to 1500 °C. The phase transformation of Ba 8 Ti 3 Nb 4 O 24 from BaTiO 3 was studied by DRX, Raman spectroscopy, SEM, electrical measurements (relative permittivity and P–E hysteresis loops); Rietveld’s refinement was used to structurally characterize the samples. For the devices obtained capacitance was measured at 1 kHz; with these values we calculated the relative permittivity. The samples show typical P–E hysteresis loops at room temperature accompanied by saturation polarization (Ps) and remnant polarization (Pr). The DRX and Rietveld’s refinement results show x ⩽ 0.01 has a ferroelectric behavior. When the doped level is increased x ⩾ 0.02, a peak displacement is observed, this is due to the phase transformation of tetragonal to cubic into the unit cell. Finally, with x = 0.125 the crystal structure transforms to the characteristic hexagonal phase Ba 8 Ti 3 Nb 4 O 24 which resonates at microwave frequencies

  15. Growth of single crystals of BaFe12O19 by solid state crystal growth

    International Nuclear Information System (INIS)

    Fisher, John G.; Sun, Hengyang; Kook, Young-Geun; Kim, Joon-Seong; Le, Phan Gia

    2016-01-01

    Single crystals of BaFe 12 O 19 are grown for the first time by solid state crystal growth. Seed crystals of BaFe 12 O 19 are buried in BaFe 12 O 19 +1 wt% BaCO 3 powder, which are then pressed into pellets containing the seed crystals. During sintering, single crystals of BaFe 12 O 19 up to ∼130 μm thick in the c-axis direction grow on the seed crystals by consuming grains from the surrounding polycrystalline matrix. Scanning electron microscopy-energy dispersive spectroscopy analysis shows that the single crystal and the surrounding polycrystalline matrix have the same chemical composition. Micro-Raman scattering shows the single crystal to have the BaFe 12 O 19 structure. The optimum growth temperature is found to be 1200 °C. The single crystal growth behavior is explained using the mixed control theory of grain growth. - Highlights: • Single crystals of BaFe 12 O 19 are grown by solid state crystal growth. • A single crystal up to ∼130 μm thick (c-axis direction) grows on the seed crystal. • The single crystal and surrounding ceramic matrix have similar composition. • Micro-Raman scattering shows the single crystal has the BaFe 12 O 19 structure.

  16. Chemical vapor deposition of graphene single crystals.

    Science.gov (United States)

    Yan, Zheng; Peng, Zhiwei; Tour, James M

    2014-04-15

    As a two-dimensional (2D) sp(2)-bonded carbon allotrope, graphene has attracted enormous interest over the past decade due to its unique properties, such as ultrahigh electron mobility, uniform broadband optical absorption and high tensile strength. In the initial research, graphene was isolated from natural graphite, and limited to small sizes and low yields. Recently developed chemical vapor deposition (CVD) techniques have emerged as an important method for the scalable production of large-size and high-quality graphene for various applications. However, CVD-derived graphene is polycrystalline and demonstrates degraded properties induced by grain boundaries. Thus, the next critical step of graphene growth relies on the synthesis of large graphene single crystals. In this Account, we first discuss graphene grain boundaries and their influence on graphene's properties. Mechanical and electrical behaviors of CVD-derived polycrystalline graphene are greatly reduced when compared to that of exfoliated graphene. We then review four representative pathways of pretreating Cu substrates to make millimeter-sized monolayer graphene grains: electrochemical polishing and high-pressure annealing of Cu substrate, adding of additional Cu enclosures, melting and resolidfying Cu substrates, and oxygen-rich Cu substrates. Due to these pretreatments, the nucleation site density on Cu substrates is greatly reduced, resulting in hexagonal-shaped graphene grains that show increased grain domain size and comparable electrical properties as to exfoliated graphene. Also, the properties of graphene can be engineered by its shape, thickness and spatial structure. Thus, we further discuss recently developed methods of making graphene grains with special spatial structures, including snowflakes, six-lobed flowers, pyramids and hexagonal graphene onion rings. The fundamental growth mechanism and practical applications of these well-shaped graphene structures should be interesting topics and

  17. Optical properties of lithium niobate single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Palatnikov, M.N.; Sidorov, N.V.; Biryukova, I.V.; Kalinnikov, V.T. [Institute of Chemistry, Kola Science Centre RAS, 26a Fersman str., 184200 Apatity, Murmansk region (Russian Federation); Bormanis, K. [Institute of Solid State Physics, University of Latvia, 8 Kengaraga str., Riga, LV-1063 (Latvia)

    2005-01-01

    Studies of thermal and {gamma}-irradiation effects on the optical properties in congruous lithium niobate single crystals containing Y, Mg, Gd, B, and Zn dopants including samples with double dopants Y, Mg and Gd, Mg are reported. Formation of defects at irradiation and thermal treatment of the samples is explored by electron absorption spectra. Considerable increase of absorption with the dose of {gamma}-radiation is observed at 500 nm. The changes of absorption examined under different conditions are explained by creation and destruction of Nb{sup 4+} defects. (copyright 2005 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  18. NMR studies of single crystal chromium diboride

    Energy Technology Data Exchange (ETDEWEB)

    Michioka, C. [Department of Chemistry, Graduate School of Science, Kyoto University, Kyoto 606-8502 (Japan)]. E-mail: michioka@kuchem.kyoto-u.ac.jp; Itoh, Y. [Department of Chemistry, Graduate School of Science, Kyoto University, Kyoto 606-8502 (Japan); Yoshimura, K. [Department of Chemistry, Graduate School of Science, Kyoto University, Kyoto 606-8502 (Japan); Watabe, Y. [Department of Physics and Mathematics, Aoyama Gakuin University, Sagamihara, Kanagawa 229-8558 (Japan); Kousaka, Y. [Department of Physics and Mathematics, Aoyama Gakuin University, Sagamihara, Kanagawa 229-8558 (Japan); Ichikawa, H. [Department of Physics and Mathematics, Aoyama Gakuin University, Sagamihara, Kanagawa 229-8558 (Japan); Akimitsu, J. [Department of Physics and Mathematics, Aoyama Gakuin University, Sagamihara, Kanagawa 229-8558 (Japan)

    2007-03-15

    We report {sup 11}B NMR studies of a single crystal CrB{sub 2}. From the temperature dependence of the Fourier-transformed NMR spectra in the paramagnetic state, the hyperfine coupling constants are estimated to be A{sub Cr-B} = -0.64,-0.74 and -0.71kOe/{mu}{sub B} for H parallel c, H parallel a and H parallel [210], respectively. In the magnetically ordered state, the spectra in H parallel a and H parallel [210] consist of superposition of a broad hump and five peaks, which correspond to the incommensurate and commensurate spin structures.

  19. Photoelectric studies of gallium monosulfide single crystals

    Science.gov (United States)

    Gamal, G. A.; Azad, M. I.

    2005-10-01

    Photoconductivity studies were carried out on GaS single crystals prepared from melt by directional solidification. We studied the effect of light intensity, applied voltage on both the photoconductivity and the lifetime of carriers. The V-I characteristics and the absorption spectra were checked for different sample thickness. The present investigation was extended to study the spectral distribution of the photocurrent for GaS. It was found that the photocurrent curves are practically independent on the bias voltage. The energy gap for GaS was found to be 2.5 eV.

  20. Structural perfection and residual electric resistance of tungsten single crystals

    International Nuclear Information System (INIS)

    Tagirova, D.M.; Dyakina, V.P.; Startsev, V.E.; Esin, V.O.

    1997-01-01

    A study was made into residual relative resistance (RRR) and structural perfection (SP) of tungsten single crystals, grown by electron beam zone melting using seeding crystals of several orientations, namely, , , , . The single crystals were of 99.98 and 99.9995 wt.% purity. The RRR value is found to depend on crystallographic orientation of an axis of crystal growth and to correlate with SP. Single crystals of different purity are differ in the nature of orientational dependences. It is shown that the correlation between RRR and SP of crystals is mainly due to conduction electron scattering by subgrain boundaries (internal size effect)

  1. The new single crystal diffractometer SC3

    Energy Technology Data Exchange (ETDEWEB)

    Schefer, J.; Koch, M.; Keller, P.; Fischer, S.; Thut, R. [Lab. for Neutron Scattering ETH Zurich, Zurich (Switzerland) and Paul Scherrer Institute, Villigen (Switzerland)

    1996-11-01

    Single crystal diffraction is a powerful method for the determination of precise structure parameters, superlattices, stress. Neutron single crystal diffraction gives additionally to X-rays information on magnetic structures, both commensurate and incommensurate, hydrogen positions, hydrogen bonding behavior and accurate bondlengths, e.g. important in cuprates. The method is therefore especially powerful if combined with X-ray diffraction results. The new instrument at SINQ has been designed for inorganic materials and is positioned at a thermal beam tube, pointing on a water scatterer. This scatterer is presently operating with H{sub 2}O at ambient temperature, but a change to another medium at different temperature is possible. The instrument will be equipped with three area detectors, moving at fixed difference in 2{Theta}. each detector may be individually moved around a vertical circle (tilting angle {gamma}), allowing to use not only 4-circle geometry in the temperature range from 1.5 to 380 K, but also any equipment from a dilution refrigerator (7 mK) to a heavy magnet. A high temperature furnace for 4-circle geometry is foreseen as a future option. (author) 6 figs., 1 tab., 7 refs.

  2. The new single crystal diffractometer SC3

    International Nuclear Information System (INIS)

    Schefer, J.; Koch, M.; Keller, P.; Fischer, S.; Thut, R.

    1996-01-01

    Single crystal diffraction is a powerful method for the determination of precise structure parameters, superlattices, stress. Neutron single crystal diffraction gives additionally to X-rays information on magnetic structures, both commensurate and incommensurate, hydrogen positions, hydrogen bonding behavior and accurate bondlengths, e.g. important in cuprates. The method is therefore especially powerful if combined with X-ray diffraction results. The new instrument at SINQ has been designed for inorganic materials and is positioned at a thermal beam tube, pointing on a water scatterer. This scatterer is presently operating with H 2 O at ambient temperature, but a change to another medium at different temperature is possible. The instrument will be equipped with three area detectors, moving at fixed difference in 2Θ. each detector may be individually moved around a vertical circle (tilting angle γ), allowing to use not only 4-circle geometry in the temperature range from 1.5 to 380 K, but also any equipment from a dilution refrigerator (7 mK) to a heavy magnet. A high temperature furnace for 4-circle geometry is foreseen as a future option. (author) 6 figs., 1 tab., 7 refs

  3. Electron-irradiation of oxide single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Caulfield, K.J.; Cooper, R.; Guy, L. [Melbourne Univ., Parkville, VIC (Australia). School of Physics

    1996-12-31

    Full text: Point defects created in single crystals of CaO, MgO and {alpha}-Al{sub 2}O{sub 3} (sapphire) by electron-irradiation give rise to luminescence from colour centres. The luminescence may be used to monitor the formation of point defects by elastic collision processes. Such processes have great technological importance, in thermoluminescent dosimetry, the development of colour centre lasers, and particularly with the use of sapphire as a first-wall insulator in nuclear fusion reactors. Point defect formation is the initial process which can ultimately lead to dielectric breakdown. By controlling the energy of incident electrons irradiating single crystals, thresholds may be determined for atomic displacement. The time-dependent spectroscopy and decay kinetics of luminescence may also be studied. Displacement thresholds, luminescence spectroscopy and decay kinetics have been studied for CaO, MgO and {alpha}-Al{sub 2}O{sub 3}. Sapphire irradiated with 0.50 MeV electrons, exhibits a broad luminescence emission band around 300 nm at room temperature, which at temperatures below 60 K broadens into two distinct bands around 300 nm and 400 nm. Analysis of the logarithmic decay kinetics of the 300 nm band reveals distinctive features observed in similar oxides by other workers, namely a rapid decrease in intensity punctuated by discrete plateau regions. A model comprising bimolecular electron-hole recombination, in conjunction with unimolecular electron-detrapping, is able to account for these features. 4 refs.

  4. Growth features of ammonium hydrogen d-tartrate single crystals

    Indian Academy of Sciences (India)

    Unknown

    Ammonium hydrogen d-tartrate (d-AHT) single crystals were grown in silica gel. The growth fea- tures of these crystals with variation of parameters like specific gravity of the gel, gel pH, acid concentrations, concentration of the feed solution and gel age were studied in detail. Keywords. d-AHT single crystals; growth features ...

  5. Growth of single crystals of BaFe12O19 by solid state crystal growth

    Science.gov (United States)

    Fisher, John G.; Sun, Hengyang; Kook, Young-Geun; Kim, Joon-Seong; Le, Phan Gia

    2016-10-01

    Single crystals of BaFe12O19 are grown for the first time by solid state crystal growth. Seed crystals of BaFe12O19 are buried in BaFe12O19+1 wt% BaCO3 powder, which are then pressed into pellets containing the seed crystals. During sintering, single crystals of BaFe12O19 up to ∼130 μm thick in the c-axis direction grow on the seed crystals by consuming grains from the surrounding polycrystalline matrix. Scanning electron microscopy-energy dispersive spectroscopy analysis shows that the single crystal and the surrounding polycrystalline matrix have the same chemical composition. Micro-Raman scattering shows the single crystal to have the BaFe12O19 structure. The optimum growth temperature is found to be 1200 °C. The single crystal growth behavior is explained using the mixed control theory of grain growth.

  6. Physics-Based Crystal Plasticity Modeling of Single Crystal Niobium

    Science.gov (United States)

    Maiti, Tias

    Crystal plasticity models based on thermally activated dislocation kinetics has been successful in predicting the deformation behavior of crystalline materials, particularly in face-centered cubic (fcc) metals. In body-centered cubic (bcc) metals success has been limited owing to ill-defined slip planes. The flow stress of a bcc metal is strongly dependent on temperature and orientation due to the non-planar splitting of a/2 screw dislocations. As a consequence of this, bcc metals show two unique deformation characteristics: (a) thermally-activated glide of screw dislocations--the motion of screw components with their non-planar core structure at the atomistic level occurs even at low stress through the nucleation (assisted by thermal activation) and lateral propagation of dislocation kink pairs; (b) break-down of the Schmid Law, where dislocation slip is driven only by the resolved shear stress. Since the split dislocation core has to constrict for a kink pair formation (and propagation), the non-planarity of bcc screw dislocation cores entails an influence of (shear) stress components acting on planes other than the primary glide plane on their mobility. Another consequence of the asymmetric core splitting on the glide plane is a direction-sensitive slip resistance, which is termed twinning/atwinning sense of shear and should be taken into account when developing constitutive models. Modeling thermally-activated flow including the above-mentioned non-Schmid effects in bcc metals has been the subject of much work, starting in the 1980s and gaining increased interest in recent times. The majority of these works focus on single crystal deformation of commonly used metals such as Iron (Fe), Molybdenum (Mo), and Tungsten (W), while very few published studies address deformation behavior in Niobium (Nb). Most of the work on Nb revolves around fitting parameters of phenomenological descriptions, which do not capture adequately the macroscopic multi-stage hardening

  7. Solid state single crystal growth of three-dimensional faceted LaFeAsO crystals

    Science.gov (United States)

    Kappenberger, Rhea; Aswartham, Saicharan; Scaravaggi, Francesco; Blum, Christian G. F.; Sturza, Mihai I.; Wolter, Anja U. B.; Wurmehl, Sabine; Büchner, Bernd

    2018-02-01

    Solid state single crystal growth (SSCG) is a crystal growth technique where crystals are grown from a polycrystalline matrix. Here, we present single crystals of the iron pnictide LaFeAsO grown via SSCG using NaAs as a liquid phase to aid crystallization. The size of the as-grown crystals are up to 2 × 3 × 0.4 mm3. Typical for this method, but very uncommon for crystals of the pnictide superconductors and especially for the oxypnictides, the crystals show pronounced facets caused by considerable growth in c direction. The crystals were characterized regarding their composition, structure, magnetic, and thermodynamic properties. This sets the stage for further measurements for which single crystals are crucial such as any c axis and reciprocal space dependent measurements.

  8. Solar cell structure incorporating a novel single crystal silicon material

    Science.gov (United States)

    Pankove, Jacques I.; Wu, Chung P.

    1983-01-01

    A novel hydrogen rich single crystal silicon material having a band gap energy greater than 1.1 eV can be fabricated by forming an amorphous region of graded crystallinity in a body of single crystalline silicon and thereafter contacting the region with atomic hydrogen followed by pulsed laser annealing at a sufficient power and for a sufficient duration to recrystallize the region into single crystal silicon without out-gassing the hydrogen. The new material can be used to fabricate semiconductor devices such as single crystal silicon solar cells with surface window regions having a greater band gap energy than that of single crystal silicon without hydrogen.

  9. Variable-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type barium titanate phases.

    Science.gov (United States)

    Nakatani, Tomotaka; Yoshiasa, Akira; Nakatsuka, Akihiko; Hiratoko, Tatsuya; Mashimo, Tsutomu; Okube, Maki; Sasaki, Satoshi

    2016-02-01

    A variable-temperature single-crystal X-ray diffraction study of a synthetic BaTiO3 perovskite has been performed over the temperature range 298-778 K. A transition from a tetragonal (P4mm) to a cubic (Pm3m) phase has been revealed near 413 K. In the non-centrosymmetric P4mm symmetry group, both Ti and O atoms are displaced along the c-axis in opposite directions with regard to the Ba position fixed at the origin, so that Ti(4+) and Ba(2+) cations occupy off-center positions in the TiO6 and BaO12 polyhedra, respectively. Smooth temperature-dependent changes of the atomic coordinates become discontinuous with the phase transition. Our observations imply that the cations remain off-center even in the high-temperature cubic phase. The temperature dependence of the mean-square displacements of Ti in the cubic phase includes a significant static component which means that Ti atoms are statistically distributed in the off-center positions.

  10. Electric controlling of surface metal-insulator transition in the doped BaTiO3 film

    Directory of Open Access Journals (Sweden)

    Wei Xun

    2017-07-01

    Full Text Available Based on first-principles calculations, the BaTiO3(BTO film with local La-doping is studied. For a selected concentration and position of doping, the surface metal-insulator transition occurs under the applied electric field, and the domain appears near the surface for both bipolar states. Furthermore, for the insulated surface state, i.e., the downward polarization state in the doped film, the gradient bandgap structure is achieved, which favors the absorption of solar energy. Our investigation can provide an alternative avenue in modification of surface property and surface screening effect in polar materials.

  11. Electric controlling of surface metal-insulator transition in the doped BaTiO3 film

    Science.gov (United States)

    Xun, Wei; Hao, Xiang; Pan, Tao; Zhong, Jia-Lin; Ma, Chun-Lan; Hou, Fang; Wu, Yin-Zhong

    2017-07-01

    Based on first-principles calculations, the BaTiO3(BTO) film with local La-doping is studied. For a selected concentration and position of doping, the surface metal-insulator transition occurs under the applied electric field, and the domain appears near the surface for both bipolar states. Furthermore, for the insulated surface state, i.e., the downward polarization state in the doped film, the gradient bandgap structure is achieved, which favors the absorption of solar energy. Our investigation can provide an alternative avenue in modification of surface property and surface screening effect in polar materials.

  12. Electric controlling of surface metal-insulator transition in the doped BaTiO3 film

    OpenAIRE

    Wei Xun; Xiang Hao; Tao Pan; Jia-Lin Zhong; Chun-Lan Ma; Fang Hou; Yin-Zhong Wu

    2017-01-01

    Based on first-principles calculations, the BaTiO3(BTO) film with local La-doping is studied. For a selected concentration and position of doping, the surface metal-insulator transition occurs under the applied electric field, and the domain appears near the surface for both bipolar states. Furthermore, for the insulated surface state, i.e., the downward polarization state in the doped film, the gradient bandgap structure is achieved, which favors the absorption of solar energy. Our investiga...

  13. Many body effects on the formal charge state of 3d - Transition Metal Doped BaTiO3

    Science.gov (United States)

    Mandal, Subhasish; Cohen, R. E.; Haule, K.

    2015-03-01

    Using density functional theory in combination with dynamical mean field theory in Mn doped BaTiO3, we find a different charge state and 3d - orbital occupations than obtained from either DFT or DFT+U. We find that the explicit treatment of many-body effects induced by the Hund's rule coupling in Mn shows a donor charge state of Mn2+, instead of usual acceptor charge state of Mn4+ as is found in both DFT and DFT+U. The differences in electron density reveal that charge transfer due to strong Hubbard interactions is not sufficient to describe the electron correlations in transition metal doped ferroelectrics.

  14. High-Performance Piezoelectric Nanogenerators via Imprinted Sol-Gel BaTiO3Nanopillar Array.

    Science.gov (United States)

    Shin, Sung-Ho; Choi, Seong-Young; Lee, Min Hyung; Nah, Junghyo

    2017-11-29

    We report high-performance piezoelectric nanogenerators (PENGs) with nanoimprinted sol-gel BaTiO 3 (BTO) nanopillar array polarized under high electric field and ultraviolet. The PENGs fabricated using this method demonstrate greatly enhanced output voltage of ∼10 V and current density of ∼1.2 μA cm -2 , respectively, in comparison to that of flat PENG. Further, the PENG demonstrates uniform output characteristics over the entire device area thanks to uniform nanoimprint pillar array. The approach introduced here is simple, effective, reliable, and reproducible way to fabricate high-performance sol-gel-based PENGs and electronic devices.

  15. Nanofibers obtained by electrospinning of BaTiO3 particles dispersed in polyvinyl alcohol and ethylcellulose

    International Nuclear Information System (INIS)

    Avila, Humar A.; Reboredo, Maria M.; Castro, Miriam; Parra, Rodrigo

    2013-01-01

    Barium titanate particles (100-300 nm) synthesized by hydrothermal method were dispersed in both polyvinyl alcohol (PVA) and ethylcellulose (EC) solutions. These suspensions were processed by electrospinning. When no particles were added, homogeneous polymeric nanofibers were obtained. Under certain conditions, polymeric suspensions of barium titanate particles were electrospun generating polymeric fibers with BT particles. The effect of a surfactant was also assessed over the formation of nanofibers. The BaTiO 3 particles synthesized by hydrothermal method were characterized by X-Ray diffraction (XRD), field emission-scanning electron microscopy (FE-SEM), transmission electron microscopy (TEM) and Raman spectroscopy. Fibers were characterized by scanning electron microscopy (SEM). (author)

  16. Conduction in ion implanted single crystal diamond

    International Nuclear Information System (INIS)

    Hunn, J.D.; Parikh, N.R.; Swanson, M.L.

    1992-01-01

    We have implanted sodium, phosphorus and arsenic into single crystal type IIa diamond as possible n-type dopants. Particular emphasis was applied to the implantation of sodium at different temperatures and doses; combined implantation energies of 55,80 and 120 keV were used to provide a uniformly doped layer over approximately 100 nm depth. The implanted layers exhibited semiconducting behavior with a single exponential activation energy between 0.40 and 0.48 eV, as determined by temperature dependent resistance measurements. A sample implanted to a concentration of 5.10 19 Na + /cm 3 at 550 degrees C exhibited a single activation energy of 0.415 eV over a temperature range from 25 to 500 degrees C. Thermal annealing above 900 degrees C was found to remove implantation damage as measured by optical absorption and RBS/channeling. However, concomitant increases in the resistance and the activation energy were observed. Implantation of 22 Ne was used to introduce a damage density equivalent to the 23 Na implant, while not introducing an electrically active species. The activation energy and electrical resistance were similar but higher than those produced by implantation with sodium. We conclude that the electrical properties of the Na-implanted samples were at least partly due to electrically active Na, but that residual implantation damage was still important

  17. Photoluminescent properties of single crystal diamond microneedles

    Science.gov (United States)

    Malykhin, Sergey A.; Ismagilov, Rinat R.; Tuyakova, Feruza T.; Obraztsova, Ekaterina A.; Fedotov, Pavel V.; Ermakova, Anna; Siyushev, Petr; Katamadze, Konstantin G.; Jelezko, Fedor; Rakovich, Yury P.; Obraztsov, Alexander N.

    2018-01-01

    Single crystal needle-like diamonds shaped as rectangular pyramids were produced by combination of chemical vapor deposition and selective oxidation with dimensions and geometrical characteristics depending on the deposition process parameters. Photoluminescence spectra and their dependencies on wavelength of excitation radiation reveal presence of nitrogen- and silicon-vacancy color centers in the diamond crystallites. Photoluminescence spectra, intensity mapping, and fluorescence lifetime imaging microscopy indicate that silicon-vacancy centers are concentrated at the crystallites apex while nitrogen-vacancy centers are distributed over the whole crystallite. Dependence of the photoluminescence on excitation radiation intensity demonstrates saturation and allows estimation of the color centers density. The combination of structural parameters, geometry and photoluminescent characteristics are prospective for advantageous applications of these diamond crystallites in quantum information processing and optical sensing.

  18. Band-offsets at BaTiO3/Cu2O heterojunction and enhanced photoelectrochemical response: theory and experiment(Conference Presentation)

    Science.gov (United States)

    Sharma, Dipika; Satsangi, Vibha R.; Dass Kaura, Sahab; Shrivastav, Rohit; Waghmare, Umesh V.

    2016-10-01

    Band-offsets at BaTiO3/Cu2O heterojunction and enhanced photoelectrochemical response: theory and experiment Dipika Sharmaa, Vibha R. Satsangib, Rohit Shrivastava, Umesh V. Waghmarec, Sahab Dassa aDepartment of Chemistry, Dayalbagh Educational Institute, Agra-282 110 (India) bDepartment of Physics and Computer Sciences, Dayalbagh Educational Institute, Agra-282 110 (India) cTheoretical Sciences Unit, Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur, Bangalore-560 064 (India) * Phone: +91-9219695960. Fax: +91-562-2801226. E-mail: drsahabdas@gmail.com. Study on photoelectrochemical activity of pristine BaTiO3, Cu2O and BaTiO3/Cu2O heterojunction has been carried out using DFT based band offsets and charge carriers effective mass calculations and their experimental verification. The results of DFT calculations show that BaTiO3 and Cu2O have staggered type band alignment after the heterojunction formation and high mobility of electrons in Cu2O as compared to the electrons in BaTiO3. Staggered type band edges alignment and high mobility of electrons and holes improved the separation of photo-generated charge carriers in BaTiO3/Cu2O heterojunction. To validate the theoretical results experiments were carried out on pristine BaTiO3, Cu2O and BaTiO3/Cu2O heterojunction with varying thickness of Cu2O. All samples were characterized by X- Ray Diffractometer, SEM and UV-Vis spectrometry. Nanostructured thin films of pristine BaTiO3, Cu2O and BaTiO3/Cu2O heterojunction were used as photoelectrode in the photoelectrochemical cell for water splitting reaction. Maximum photocurrent density of 1.44 mA/cm2 at 0.90 V/SCE was exhibited by 442 nm thick BaTiO3/Cu2O heterojunction photoelectrode Increased photocurrent density and enhanced photoconversion efficiency, exhibited by the heterojunction may be attributed to improved conductivity and enhanced separation of the photogenerated carriers at the BaTiO3/Cu2O interface. The experimental results and first-principles calculations compare well, thus suggesting that such calculations have the potential to be used in screening various metal oxide heterojunction before performing the experiments thereby saving precious chemicals, time and energy. Keywords: Photoelectrochemical, Water splitting, heterojunction, Cu2O, BaTiO3 References: [1] Surbhi Choudhary, et al. Nanostructured bilayered thin films in photoelectrochemical water splitting - A review: International Journal of Hydrogen Energy, (2012). [2] Dipika Sharma, Anuradha Verma, V.R. Satsangi, Rohit shrivastav, Sahab Dass Nanostructured SrTiO3 thin films sensitized by Cu2O for Photoelectrochemical Hydrogen Generation. International journal of Hydrogen Energy;42:,4230-4241, 2014.

  19. Controlled Confinement of Half-metallic 2D Electron Gas in BaTiO3/Ba2FeReO6/BaTiO3 Heterostructures: A First-principles Study

    Science.gov (United States)

    Saha-Dasgupta, Tanusri; Baidya, Santu; Waghmare, Umesh; Paramekanti, Arun

    Using density functional theory calculations, we establish that the half-metallicity of bulk Ba2FeReO6 survives down i to 1 nm thickness in BaTiO3/Ba2FeReO6/BaTiO3 heterostructures grown along the (001) and (111) directions. The confinement of the two-dimensional (2D) electron gas in this quantum well structure arises from the suppressed hybridization between Re/Fe d states and unoccupied Ti d states, and it is further strengthened by polar fields for the (111) direction. This mechanism, distinct from the polar catastrophe, leads to an order of magnitude stronger confinement of the 2D electron gas than that at the LaAlO3/SrTiO3 interface. We further show low-energy bands of (111) heterostructure display nontrivial topological character. Our work opens up the possibility of realizing ultra-thin spintronic devices. Journal Ref: Phys. Rev. B 92, 161106(R) (2015) S.B. and T.S.D thank Department of Science and Technology, India for the support through Thematic Unit of Excellence. AP was supported by NSERC (Canada).

  20. Development of novel growth methods for halide single crystals

    Science.gov (United States)

    Yokota, Yuui; Kurosawa, Shunsuke; Shoji, Yasuhiro; Ohashi, Yuji; Kamada, Kei; Yoshikawa, Akira

    2017-03-01

    We developed novel growth methods for halide scintillator single crystals with hygroscopic nature, Halide micro-pulling-down [H-μ-PD] method and Halide Vertical Bridgman [H-VB] method. The H-μ-PD method with a removable chamber system can grow a single crystal of halide scintillator material with hygroscopicity at faster growth rate than the conventional methods. On the other hand, the H-VB method can grow a large bulk single crystal of halide scintillator without a quartz ampule. CeCl3, LaBr3, Ce:LaBr3 and Eu:SrI2 fiber single crystals could be grown by the H-μ-PD method and Eu:SrI2 bulk single crystals of 1 and 1.5 inch in diameter could be grown by the H-VB method. The grown fiber and bulk single crystals showed comparable scintillation properties to the previous reports using the conventional methods.

  1. Ultratough CVD single crystal diamond and three dimensional growth thereof

    Science.gov (United States)

    Hemley, Russell J [Washington, DC; Mao, Ho-kwang [Washington, DC; Yan, Chih-shiue [Washington, DC

    2009-09-29

    The invention relates to a single-crystal diamond grown by microwave plasma chemical vapor deposition that has a toughness of at least about 30 MPa m.sup.1/2. The invention also relates to a method of producing a single-crystal diamond with a toughness of at least about 30 MPa m.sup.1/2. The invention further relates to a process for producing a single crystal CVD diamond in three dimensions on a single crystal diamond substrate.

  2. Composite single crystal silicon scan mirror substrates, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — Single crystal silicon is a desirable mirror substrate for scan mirrors in space telescopes. As diameters of mirrors become larger, existing manufacturing...

  3. Phase fragility and mechatronic reliability for Pb(Mg1/3Nb2/3O3–PbTiO3 ferroelectric single crystals — A review

    Directory of Open Access Journals (Sweden)

    F. Fang

    2014-01-01

    Full Text Available Single crystals of (1-xPb(Mg1/3Nb2/3O3–xPbTiO3(PMN–xPT near their morphotropic phase boundaries (MPBs are under extensive investigations for their extraordinary high dielectric and piezoelectric behavior. Applications of those single crystals facilitated the breakthrough in ultrasonic transducer materials and devices. Ferroelectric materials are known to be fragile which often leads to various reliability failures in applications involving electric loadings. In a mechanical sense, the failure modes concern the fracture under an intensive electric field, and the fatigue crack propagation under an alternating electric field. In an electrical sense, the failure is exhibited by degenerated hysteresis loop by shrinking the remnant polarization and expanding the coercive field. All these modes degrade the performance for ferroelectric devices. As a departure from the tetragonal (T ferroelectric materials, exemplified by BaTiO3 and Pb(ZrTiO3, the domain structures of PMN–PT around the MPB are versatile and intricate, depending sensitively on the composition variation, orientation and previous loading history. In this review, the attention is mainly focused on three aspects. First, the phase fragility and multiphase coexistence are presented for both [100]- and [101]-oriented PMN–PT single crystals. Second, investigations on electric field-induced fatigue crack propagation are described, along with the orientation effect on the crack propagation behavior. Third, the inverse effects of the phase transition and fatigue crack growth on the polarization behavior, or the interaction between the mechanical and electrical degradations will be elucidated. The review aims for better understanding the underlying mechanism for the ultrahigh performance of the PMN–PT single crystals, to bridge the studies of ferroelectric materials from the mechanical and electrical senses, as well as to evaluate the reliability of PMN–PT single crystals under device

  4. Synthesis and electrical properties of BaBiO3 and high resistivity BaTiO3–BaBiO3 ceramics

    Directory of Open Access Journals (Sweden)

    Nitish Kumar

    2016-12-01

    Full Text Available Ceramics of the composition BaBiO3 (BB were sintered in oxygen to obtain a single phase with monoclinic I2/m 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 to 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.

  5. Formation Mechanism and Dispersion of Pseudo-Tetragonal BaTiO3-PVP Nanoparticles from Different Titanium Precursors: TiCl4 and TiO2

    Directory of Open Access Journals (Sweden)

    Jinhui Li

    2017-12-01

    Full Text Available Nano-sized tetragonal BaTiO3 (BT particles that are well dispersed in solution are essential for the dielectric layer in multilayer ceramic capacitor technology. A hydrothermal process using TiCl4 and BaCl2, as source of Ti and Ba, respectively, or the precursor TiO2 as seed for the formation of BT, and poly(vinylpyrrolidone (PVP as a surfactant, was employed in this study to enhance both the dispersibility and tetragonality (c/a simultaneously in a single reaction process. The process parameters, i.e., the ratio of TiO2 substitution of TiCl4, the reaction time, and PVP content were systematically studied, and the growth mechanism and relation between the tetragonality and the particle size are discussed. Dynamic light scattering (DLS analysis was used to show that truncated pseudo-tetragonal BT-PVP particles with an average size of 100 nm, having a narrow size distribution and a coefficient of variation (CV as low as 20% and being mono-dispersed in water, were produced. The narrow particle size distribution is attributed to the ability of PVP to inhibit the growth of BT particles, and the high c/a of BT-PVP to heterogeneous particle growth using TiO2 seeds.

  6. Magnetic behavior of La2/3Ca1/3MnO3 / BaTiO3 bilayers

    Science.gov (United States)

    Ordonez, John E.; Gomez, Maria E.; Lopera, Wilson; Marin, Lorena; Pardo, Jose A.; Morellon, Luis; Algarabel, Pedro; Prieto, Pedro

    2013-03-01

    We have grown ferroelectric BaTiO3(BTO) and ferromagnetic La2/3Ca1/3MnO3 (LCMO) onto (001) SrTiO3 and Nb:SrTiO3 by pulsed laser deposition (PLD) at pure oxygen atmosphere, and a substrate temperature of 820° C, seeking for a multiferroic behavior in this structure. From x-ray diffraction (XRD) we found lattice parameter aBTO=4.068 Å, and aLCMO=3.804 Å, for each individual layer. In the BTO/LCMO bilayer, (002)-Bragg peak for BTO maintain its position whereas (002) LCMO peak shift to lower Bragg angle indicating a strained LCMO film. Magnetization measurements reveal an increase in the Curie temperature from 170 K to 220 K for the bilayer when LCMO (t = 47 nm) is deposited on BTO (t=52 nm) film, while depositing the BTO (50 nm) above LCMO (48 nm) the Curie temperature remains at values close to that obtained for a LCMO single layer (~175 K), deposited under identical growth parameters This work has been supported by Instituto de Nanociencias de Aragón, Zaragoza, Spain, ``El Patrimonio Autónomo Fondo Nacional de Financiamiento para CT&I FJC'' COLCIENCIAS-CENM Contract RC 275-2011 and Research Project COLCIENCIAS-UNIVALLE.

  7. Energy Storage Characteristics of BiFeO3/BaTiO3 Bi-Layers Integrated on Si

    Directory of Open Access Journals (Sweden)

    Menglin Liu

    2016-11-01

    Full Text Available BiFeO3/BaTiO3 bi-layer thick films (~1 μm were deposited on Pt/Ti/SiO2/(100 Si substrates with LaNiO3 buffer layers at 500 °C via a rf magnetron sputtering process. X-ray diffraction (XRD analysis revealed that both BiFeO3 and BaTiO3 layers have a (00l preferred orientation. The films showed a small remnant polarization (Pr ~ 7.8 μC/cm2 and a large saturated polarization (Ps ~ 65 μC/cm2, resulting in a slim polarization-electric field (P-E hysteresis loop with improved energy storage characteristics (Wc = 71 J/cm3, η = 61%. The successful “slim-down” of the P-E loop from that of the pure BiFeO3 film can be attributed to the competing effects of space charges and the interlayer charge coupling on charge transport of the bi-layer film. The accompanying electrical properties of the bi-layer films were measured and the results confirmed their good quality.

  8. Síntesis de BaTiO3 cúbico por rutas químicas

    Directory of Open Access Journals (Sweden)

    Claudia Patricia Fernández Perdomo

    2010-01-01

    mediante dos métodos químicos, coprecipitación y precursor polimérico (Pechini. Estos métodos, altamente reproducibles y confiables, permitieron obtener partículas de BaTiO3 nanométricas (< 200 nm con alta pureza química, a una temperatura de 650°C, además, se logró estabilizar la fase cúbica del BaTiO3 a temperatura ambiente. Se realizó una breve discusión sobre los mecanismos de formación de las partículas y una adecuada descripción de los procesos de síntesis. Los polvos obtenidos se caracterizaron empleando espectroscopía infrarroja (FTIR, difracción de rayos X (DRX, análisis térmico (ATD/TG y microscopía electrónica de trasmisión (MET.

  9. BaTiO3 FILMS DEPOSITED ONTO TiNb AND Ti SUBSTRATES - AMOUNT AND STABILITY OF BARIUM

    Directory of Open Access Journals (Sweden)

    Kamila Moriová

    2017-06-01

    Full Text Available BaTiO3 films deposited onto TiNb and Ti substrates using hydrothermal synthesis method were studied in the presented work. These films are supposed to improve properties of bone implants due to their ferroelectric behaviour, because ferroelectrics induce improved bone formation. A great question is the chemical stability of the used material. It can be crucial for its biocompatibility and possible in vivo application. We studied chemical composition of prepared samples, especially concentration of Ba and Ti and trends of these concentrations stimulated by a solution saline action. The Ba and Ti concentrations were determined by XPS under ultra - high vacuum condition. The BaTiO3 films were investigated as received after the preparation procedure as well as after a long - time treatment in solution saline. Every sample was introduced to the solution saline at first for 1 and later for 3 weeks. Ti concentration almost does not change during our experiments while a meaningful Ba decrease is observed. Nevertheless, barium release seems to slow down with respect to the time of solution saline action. Stability of barium titanate films in a period of several months and an absolute amount of the released barium will be a subject of the next research.

  10. Single-crystal growth of ceria-based materials

    International Nuclear Information System (INIS)

    Ulbrich, Gregor

    2015-01-01

    In this work it could be shown that Skull-Melting is a suitable method for growing ceria single crystals. Twenty different ceria-based single crystals could be manufactured. It was possible to dope ceria single crystals with Gd, Sm, Y, Zr, Ti, Ta, and Pr in different concentrations. Also co-doping with the named metals was realized. However, there remain some problems for growing ceria-based single crystals by Skull-Melting. As ignition metal zirconium was used because no ceria-based material works well. For that reason all single crystals show small zirconium contamination. Another problem is the formation of oxygen by the heat-induced reduction of ceria during the melting process. Because of that the skull of sintered material is often destroyed by gas pressure. This problem had to be solved individually for every single crystal. The obtained single crystals were characterized using different methods. To ensure the single crystal character the y were examined by Laue diffraction. All manufactured crystals are single crystals. Also powder diffraction patterns of the milled and oxidized samples were measured. For the determination of symmetry and metric the structural parameters were analyzed by the Rietveld method. All synthesized materials crystallize in space group Fm-3m known from calcium fluoride. The cubic lattice parameter a was determined for all crystals. In the case of series with different cerium and zirconium concentrations a linear correlation between cerium content and cubic lattice parameter was detected. The elemental composition was determined by WDX. All crystals show a homogeneous elemental distribution. The oxygen content was calculated because the WDX method isn't useful for determination.

  11. Growth of Ce-Doped LSO Single Crystals by Stockbarger-Bridgman Modified Crystallization Method

    International Nuclear Information System (INIS)

    Namtalishvili, M.; Sanadze, T.; Basharuli, N.; Magalashvili, P.; Mikaberidze, A.; Razmadze, Z.; Gabeskiria, M.

    2006-01-01

    The modified Stockbarger-Bridgman method was suggested for the growth of optically perfect LSO:Ce single crystals. Our investigations have shown that the most perfect crystals are grown by by the horizontally directed crystallization. In this case the elements of directional crystallyzation are combined with the zone melting. Crystallization is carried out in the conditions of sufficiently developed mirror of meltin. As a result in this case the chemical purity of grown crystals increases. (author)

  12. High-quality single crystals for neutron experiments

    Indian Academy of Sciences (India)

    Abstract. To make headway on any problem in physics, high-quality single crystals are required. In this talk, special emphasis will be placed on the crystal growth of various oxides (superconductors and magnetic materials), borides and carbides using the image furnaces at Warwick. The floating zone method of crystal ...

  13. High-quality single crystals for neutron experiments

    Indian Academy of Sciences (India)

    To make headway on any problem in physics, high-quality single crystals are required. In this talk, special emphasis will be placed on the crystal growth of various oxides (superconductors and magnetic materials), borides and carbides using the image furnaces at Warwick. The floating zone method of crystal growth used in ...

  14. UV-laser-light-controlled photoluminescence of metal oxide nanoparticles in different gas atmospheres: BaTiO3, SrTiO3 and HfO2

    International Nuclear Information System (INIS)

    Mochizuki, Shosuke; Saito, Takashi; Yoshida, Kaori

    2012-01-01

    The photoluminescence (PL) enhancement has been studied at room temperature using various specimen atmospheres (O 2 gas, CO 2 gas, CO 2 -H 2 mixture gas, Ar-H 2 mixture gas and vacuum) under 325 nm laser light irradiation on various metal oxides. Of them, the results obtained for BaTiO 3 nanocrystals, SrTiO 3 ones and HfO 2 powder crystal are given in the present paper. Their PL were considerably increased in intensity by irradiation of 325 nm laser light in CO 2 gas and CO 2 -H 2 mixture gas. The cause of the PL intensity enhancements is discussed in the light of the exciton theory, the defect chemistry and the photocatalytic theory. The results may be applied for the utilization of greenhouse gas (CO 2 ) and the optical sensor for CO 2 gas.

  15. Highly uniform bipolar resistive switching characteristics in TiO2/BaTiO3/TiO2 multilayer

    International Nuclear Information System (INIS)

    Ma, W. J.; Zhang, X. Y.; Wang, Ying; Zheng, Yue; Lin, S. P.; Luo, J. M.; Wang, B.; Li, Z. X.

    2013-01-01

    Nanoscale multilayer structure TiO 2 /BaTiO 3 /TiO 2 has been fabricated on Pt/Ti/SiO 2 /Si substrate by chemical solution deposition method. Highly uniform bipolar resistive switching (BRS) characteristics have been observed in Pt/TiO 2 /BaTiO 3 /TiO 2 /Pt cells. Analysis of the current-voltage relationship demonstrates that the space-charge-limited current conduction controlled by the localized oxygen vacancies should be important to the resistive switching behavior. X-ray photoelectron spectroscopy results indicated that oxygen vacancies in TiO 2 play a crucial role in the resistive switching phenomenon and the introduced TiO 2 /BaTiO 3 interfaces result in the high uniformity of bipolar resistive switching characteristics

  16. Polytypism of Pb-doped single crystals of cadmium iodide

    International Nuclear Information System (INIS)

    Tyagi, U.P.; Trigunayat, G.C.

    1986-01-01

    The zone refining technique has been used both for the purification of cadmium iodide and for the growth of lead-doped single crystals of cadmium iodide. The as-grown crystals when studied by X-ray diffraction show exclusive presence of the most common polytype 4H. The hexagonal plate-shaped crystals of the doped material, grown from aqueous solution, shown polytypism, but of a different nature than the crystals of pure cadmium iodide. The results have been discussed. (author)

  17. Growth and Characterization on PMN-PT-Based Single Crystals

    Directory of Open Access Journals (Sweden)

    Jian Tian

    2014-07-01

    Full Text Available Lead magnesium niobate—lead titanate (PMN-PT single crystals have been successfully commercialized in medical ultrasound imaging. The superior properties of PMN-PT crystals over the legacy piezoelectric ceramics lead zirconate titanate (PZT enabled ultrasound transducers with enhanced imaging (broad bandwidth and improved sensitivity. To obtain high quality and relatively low cost single crystals for commercial production, PMN-PT single crystals were grown with modified Bridgman method, by which crystals were grown directly from stoichiometric melt without flux. For ultrasound imaging application, [001] crystal growth is essential to provide uniform composition and property within a crystal plate, which is critical for transducer performance. In addition, improvement in crystal growth technique is under development with the goals of improving the composition homogeneity along crystal growth direction and reducing unit cost of crystals. In recent years, PIN-PMN-PT single crystals have been developed with higher de-poling temperature and coercive field to provide improved thermal and electrical stability for transducer application.

  18. Correlation of High Magnetoelectric Coupling with Oxygen Vacancy Superstructure in Epitaxial Multiferroic BaTiO3-BiFeO3 Composite Thin Films

    OpenAIRE

    Lorenz, Michael; Wagner, Gerald; Lazenka, Vera; Schwinkendorf, Peter; Bonholzer, Michael; Van Bael, Margriet J.; Vantomme, Andr?; Temst, Kristiaan; Oeckler, Oliver; Grundmann, Marius

    2016-01-01

    Epitaxial multiferroic BaTiO3-BiFeO3 composite thin films exhibit a correlation between the magnetoelectric (ME) voltage coefficient αME and the oxygen partial pressure during growth. The ME coefficient αME reaches high values up to 43 V/(cm·Oe) at 300 K and at 0.25 mbar oxygen growth pressure. The temperature dependence of αME of the composite films is opposite that of recently-reported BaTiO3-BiFeO3 superlattices, indicating that strain-mediated ME coupling alone cannot explain its origin. ...

  19. Synthesis and luminescence properties of BaTiO3:RE (RE = Gd3+, Dy3+, Th3+, Lu3+) phosphors

    International Nuclear Information System (INIS)

    Korkmaz, Esra; Kalaycioglu, Nilgun Ozpozan

    2012-01-01

    Gd 3+ , Dy 3+ , Tb 3+ and Lu 3+ doped BaTiO 3 -based phosphors were synthesized with modified solid-state technique at 1000 deg C. The optimization of reaction conditions were carried out by thermogravimetry and differential thermal analysis methods (DTA/TG). The reaction products obtained in an air atmosphere were characterized by X-ray powder diffraction (XRD). Surface and elemental analyses were performed by using an SEM instrument. The excitation and emission spectra were recorded by photoluminescence spectrophotometer (PL). The thermoluminescence (TL) properties of BaTiO 3 samples doped with Gd 3+ , Dy 3+ , Tb 3+ , Lu 3+ were investigated. (author)

  20. THE APPLICATION OF STEREOLOGY METHOD FOR ESTIMATING THE NUMBER OF 3D BaTiO3 – CERAMIC GRAINS CONTACT SURFACES

    Directory of Open Access Journals (Sweden)

    Vojislav V Mitić

    2011-05-01

    Full Text Available Methods of stereological study are of great importance for structural research of electronic ceramic materials including BaTiO3-ceramic materials. The broad application of ceramics, based on barium-titanate, in advanced electronics nowadays demands a constant research of its structure, that through the correlation structureproperties, a fundamental in the basic materials properties prognosis triad (technology-structure-properties, leads to further prognosis and properties design of these ceramics. Microstructure properties of BaTiO3- ceramic material, expressed in grains' boundary contact, are of basic importance for electric properties of this material, particularly the capacity. In this paper, a significant step towards establishing control under capacitive properties of BaTiO3-ceramics is being done by estimating the number of grains contact surfaces. Defining an efficient stereology method for estimating the number of BaTiO3-ceramic grains contact surfaces, we have started from a mathematical model of mutual grains distribution in the prescribed volume of BaTiO3-ceramic sample. Since the real microstructure morphology of BaTiO3-ceramics is in some way disordered, spherical shaped grains, using computer-modelling methods, are approximated by polyhedra with a great number of small convex polygons. By dividing the volume of BaTiO3-ceramic sample with the definite number of parallel planes, according to a given pace, into the intersection plane a certain number of grains contact surfaces are identified. According to quantitative estimation of 2D stereological parameters the modelled 3D internal microstructure is obtained. Experiments were made by using the scanning electronic microscopy (SEM method with the ceramic samples prepared under pressing pressures up to 150 MPa and sintering temperature up to 1370°C while the obtained microphotographs were used as a base of confirming the validity of presented stereology method. This paper, by applying computer stereology method for estimating the number of grains contact surfaces, makes possible a further insight into the microstructure of BaTiO3-ceramics with the final aim to design new properties of electronic materials based on barium - titanate ceramics.

  1. On the nature of change in Ni oxidation state in BaTiO3-SrTiO3 system

    OpenAIRE

    Lebedev, A. I.; Sluchinskaya, I. A.

    2016-01-01

    XAFS studies of Ni-doped Ba$_{1-x}$Sr$_x$TiO$_3$ solid solution reveal that the Ni oxidation state changes from 4 in SrTiO$_3$ to 2.5 in BaTiO$_3$ when varying $x$. This change is accompanied by a noticeable change in the interatomic Ni-O distances in the first shell. The first-principles calculations show that nickel creates an impurity band in the forbidden band gap of BaTiO$_3$ and SrTiO$_3$, which explains the appearance of intense absorption of Ni-doped samples in the visible region. The...

  2. Czochralski method of growing single crystals. State-of-art

    International Nuclear Information System (INIS)

    Bukowski, A.; Zabierowski, P.

    1999-01-01

    Modern Czochralski method of single crystal growing has been described. The example of Czochralski process is given. The advantages that caused the rapid progress of the method have been presented. The method limitations that motivated the further research and new solutions are also presented. As the example two different ways of the technique development has been described: silicon single crystals growth in the magnetic field; continuous liquid feed of silicon crystals growth. (author)

  3. Magnetoresistance in terbium and holmium single crystals

    International Nuclear Information System (INIS)

    Singh, R.L.; Jericho, M.H.; Geldart, D.J.W.

    1976-01-01

    The longitudinal magnetoresistance of single crystals of terbium and holmium metals in their low-temperature ferromagnetic phase has been investigated in magnetic fields up to 80 kOe. Typical magnetoresistance isotherms exhibit a minimum which increases in depth and moves to higher fields as the temperature increases. The magnetoresistance around 1 0 K, where inelastic scattering is negligible, has been interpreted as the sum of a negative contribution due to changes in the domain structure and a positive contribution due to normal magnetoresistance. At higher temperatures, a phenomenological approach has been developed to extract the inelastic phonon and spin-wave components from the total measured magnetoresistance. In the temperature range 4--20 0 K (approximately), the phonon resistivity varies as T 3 . 7 for all samples. Approximate upper and lower bounds have been placed on the spin-wave resistivity which is also found to be described by a simple power law in this temperature range. The implications of this result for theoretical treatments of spin-wave resistivity due to s-f exchange interactions are considered. It is concluded that the role played by the magnon energy gap is far less transparent than previously suggested

  4. Reshock and release response of aluminum single crystal

    International Nuclear Information System (INIS)

    Huang, H.; Asay, J. R.

    2007-01-01

    Reshock and release experiments were performed on single crystal aluminum along three orientations and on polycrystalline 1050 aluminum with 50 μm grain size at shock stresses of 13 and 21 GPa to investigate the mechanisms for previously observed quasielastic recompression behavior. Particle velocity profiles obtained during reshocking both single crystals and polycrystalline aluminum from initial shock stresses of 13-21 GPa show similar quasielastic recompression behavior. Quasielastic release response is also observed in all single crystals, but the magnitude of the effect is crystal orientation dependent, with [111] and [110] exhibiting more ideal elastic-plastic release for unloading from the shocked state than for the [100] orientation and polycrystalline aluminum. The quasielastic response of 1050 aluminum is intermediate to that of the [100] and [111] orientations. Comparison of the wave profiles obtained for both unloading and reloading of single crystals and polycrystalline 1050 aluminum from shocked states suggests that the observed quasielastic response of polycrystalline aluminum results from the averaging response of single crystals for shock propagation along different orientations, and that the response of 1050 aluminum with large grain boundaries is not significantly different from the results obtained on single crystal aluminum. The yield strength of the single crystals and 1050 aluminum is found to increase with shock stress, which is consistent with previous results [H. Huang and I. R. Asay, J. Appl. Phys. 98, 033524 (2005)

  5. Evolución Microestructural de Materiales Cerámicos de BaTiO3 Dopados con Antimonio

    Directory of Open Access Journals (Sweden)

    Villegas, M.

    1999-10-01

    Full Text Available Ceramic materials based on BaTiO3 modified with small amounts of antimony show interesting electric properties which make them valuable for electronic industry. These properties depend on the microestructure of the material, which is controlled by both the dopant concentration and the doping process. The aim of the present work is to study the microstructure development of Sb-doped BaTiO3 materials for concentrations ranging from 0.05 to 0.6 mol%. Doping was carried out following two different methods, the traditional mixing of oxides and surface doping starting from Sb(O(CH3CH33. Materials sintered between 1300-1400ºC show quite different microstructure. For surface doped materials, a Sb2O3 concentration of 0.05 mol % leads to well densified matrials with homogeneous fine-grained microstructure. On the other hand, the traditional oxide doped materials show exaggerated grain growth.Los materiales cerámicos basados en titanato de bario con pequeñas cantidades de antimonio, exhiben interesantes propiedades que hacen posible su aplicación en la fabricación de dispositivos electrónicos. Estas propiedades dependen de la microestructura final del material, que está a su vez condicionada por la concentración de dopante y la vía utilizada para su incorporación. En este trabajo se estudia la evolución microestructural de materiales de BaTiO3 dopados con Sb en concentraciones entre 0.05 y 0.60 % mol. El dopado se ha realizado por la vía clásica a partir de Sb2O3 y mediante el proceso de dopado en superficie a partir de Sb(O(CH3CH33. Los materiales sinterizados en el intervalo de temperaturas comprendido entre 1300 y 1400ºC, muestran una microestructura bien diferenciada. Para los materiales dopados en superficie, una concentración equivalente de 0.05 % mol de Sb2O3 permite obtener materiales con elevada densidad y microestructura homogénea con tamaño de grano controlado. En el caso del material dopado por la vía clásica se observa crecimiento exagerado de grano.

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

    Science.gov (United States)

    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.

  7. A single crystal neutron diffraction study on mixed crystal (K)0.25 ...

    Indian Academy of Sciences (India)

    41

    environment affects the hydrogen bonding is very important from the point of view of improving the ... obtained from single crystal diffraction data gives a time as well as space average picture of the crystal. 1. 2. 3. 4. 5. 6 ... KDPX(ADP)1-X mixed crystals are obtained from the aqueous solutions containing AR grade KDP and.

  8. Systematic hardness measurements on single crystals and ...

    Indian Academy of Sciences (India)

    Unknown

    nuclear fuel container technology (Fullam 1972). While there is an enormous amount of work on the crystal growth of alkali halides with NaCl structure, work ..... Grateful thanks are due to D E Schuele, Michelson. Professor, Case Western Reserve University, for keeping the expensive CsBr and CsI crystals at our disposal.

  9. Unidirectional seeded single crystal growth from solution of benzophenone

    Science.gov (United States)

    Sankaranarayanan, K.; Ramasamy, P.

    2005-07-01

    A novel crystal growth method has been established for the growth of single crystal with selective orientation at room temperature. Using volatile solvent, the saturated solution containing the material to be crystallized was taken in an ampoule and allowed to crystallize by slow solvent evaporation assisted with a ring heater. The orientation of the growing crystal was imposed by means of a seed fixed at the bottom of the ampoule. By selecting a suitable ring heater voltage and by controlling the ring heater voltage, nucleation and the growth rate of the crystal were controlled more effectively. By employing this novel method, benzophenone single crystal ingots of diameters 10 and 20 mm and length more than 50 mm were successfully grown using xylene as solvent. The ease in scaling up of diameter from 10 to 20 mm shows the vital advantage of this technique. It was possible to achieve solute-crystal conversion efficiency of 100 percent. The grown benzophenone crystal was characterized by FTIR, TG and DTA, powder X-ray diffraction, X-ray rocking curve, optical transmission study and powder SHG measurement. The results show that the crystal quality is at least as good as the quality of the crystal grown by other known methods. Also, microbial growth was naturally avoided in this method, as the fresh solution is constantly made available for the growing crystal.

  10. High-quality bulk hybrid perovskite single crystals within minutes by inverse temperature crystallization

    KAUST Repository

    Saidaminov, Makhsud I.

    2015-07-06

    Single crystals of methylammonium lead trihalide perovskites (MAPbX3; MA=CH3NH3+, X=Br− or I−) have shown remarkably low trap density and charge transport properties; however, growth of such high-quality semiconductors is a time-consuming process. Here we present a rapid crystal growth process to obtain MAPbX3 single crystals, an order of magnitude faster than previous reports. The process is based on our observation of the substantial decrease of MAPbX3 solubility, in certain solvents, at elevated temperatures. The crystals can be both size- and shape-controlled by manipulating the different crystallization parameters. Despite the rapidity of the method, the grown crystals exhibit transport properties and trap densities comparable to the highest quality MAPbX3 reported to date. The phenomenon of inverse or retrograde solubility and its correlated inverse temperature crystallization strategy present a major step forward for advancing the field on perovskite crystallization.

  11. Excitonic polaritons of zinc diarsenide single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Syrbu, N.N., E-mail: sirbunn@yahoo.com [Technical University of Moldova, Chisinau, Republic of Moldova (Moldova, Republic of); Stamov, I.G. [T.G. Shevchenko State University of Pridnestrovie, Tiraspol, Republic of Moldova (Moldova, Republic of); Zalamai, V.V. [Institute of Applied Physics, Academy of Sciences of Moldova, Chisinau, Republic of Moldova (Moldova, Republic of); Dorogan, A. [Technical University of Moldova, Chisinau, Republic of Moldova (Moldova, Republic of)

    2017-02-01

    Excitonic polaritons of ZnAs{sub 2} single crystals had been investigated. Parameters of singlet excitons with Г{sub 2}¯(z) symmetry and orthoexcitons 2Г{sub 1}¯(y)+Г{sub 2}¯(x) had been determined. Spectral dependencies of ordinary and extraordinary dispersion of refractive index had been calculated using interferential reflection and transmittance spectra. It was shown, that A excitonic series were due to hole (V{sub 1}) and electron (C{sub 1}) bands. The values of effective masses of electrons (m{sub c}{sup *}=0.10 m{sub 0}) and holes (m{sub v1}{sup *}=0.89 m{sub 0}) had been estimated. It was revealed that the hole mass m{sub v1}{sup *} changes from 1.03 m{sub 0} to 0.55 m{sub 0} at temperature increasing from 10 K up to 230 K and that the electron mass m{sub c}{sup *} does not depend on temperature. The integral absorption A (eV cm{sup −1}) of the states n=1, 2 and 3 of Г{sub 2}¯(z) excitons depends on the A{sub n}≈n{sup −3} equality, which it is characteristic for S-type excitonic functions. Temperature dependences of the integral absorption of ground states for Г{sub 2}¯(z) and Г{sub 2}¯(Ñ…) excitons differ. The ground states of B and C excitons formed by V{sub 3} – C{sub 1} and V{sub 4} – C{sub 1} bands and its parameters had been determined.

  12. Prospects for the synthesis of large single-crystal diamonds

    International Nuclear Information System (INIS)

    Khmelnitskiy, R A

    2015-01-01

    The unique properties of diamond have stimulated the study of and search for its applications in many fields, including optics, optoelectronics, electronics, biology, and electrochemistry. Whereas chemical vapor deposition allows the growth of polycrystalline diamond plates more than 200 mm in diameter, most current diamond application technologies require large-size (25 mm and more) single-crystal diamond substrates or films suitable for the photolithography process. This is quite a challenge, because the largest diamond crystals currently available are 10 mm or less in size. This review examines three promising approaches to fabricating large-size diamond single crystals: growing large-size single crystals, the deposition of heteroepitaxial diamond films on single-crystal substrates, and the preparation of composite diamond substrates. (reviews of topical problems)

  13. Method for harvesting rare earth barium copper oxide single crystals

    Science.gov (United States)

    Todt, Volker R.; Sengupta, Suvankar; Shi, Donglu

    1996-01-01

    A method of preparing high temperature superconductor single crystals. The method of preparation involves preparing precursor materials of a particular composition, heating the precursor material to achieve a peritectic mixture of peritectic liquid and crystals of the high temperature superconductor, cooling the peritectic mixture to quench directly the mixture on a porous, wettable inert substrate to wick off the peritectic liquid, leaving single crystals of the high temperature superconductor on the porous substrate. Alternatively, the peritectic mixture can be cooled to a solid mass and reheated on a porous, inert substrate to melt the matrix of peritectic fluid while leaving the crystals melted, allowing the wicking away of the peritectic liquid.

  14. Time-Dependent Negative Capacitance Effects in Al2O3/BaTiO3 Bilayers.

    Science.gov (United States)

    Kim, Yu Jin; Yamada, Hiroyuki; Moon, Taehwan; Kwon, Young Jae; An, Cheol Hyun; Kim, Han Joon; Kim, Keum Do; Lee, Young Hwan; Hyun, Seung Dam; Park, Min Hyuk; Hwang, Cheol Seong

    2016-07-13

    The negative capacitance (NC) effects in ferroelectric materials have emerged as the possible solution to low-power transistor devices and high-charge-density capacitors. Although the steep switching characteristic (subthreshold swing capacitance (charge) boosting could be achieved without the hysteresis from the Al2O3/BaTiO3 bilayer capacitors through short-pulse charging. This work revealed that the hysteresis phenomenon in NC devices originated from the dielectric leakage of the dielectric layer. The suppression of charge injection via the dielectric leakage, which usually takes time, inhibits complete ferroelectric polarization switching during a short pulse time. It was demonstrated that a nonhysteretic NC effect can be achieved only within certain limited time and voltage ranges, but that these are sufficient for critical device applications.

  15. Vacancy-induced magnetism in BaTiO3(001) thin films based on density functional theory.

    Science.gov (United States)

    Cao, Dan; Cai, Meng-Qiu; Hu, Wang-Yu; Yu, Ping; Huang, Hai-Tao

    2011-03-14

    The origin of magnetism induced by vacancies on BaTiO(3)(001) surfaces is investigated systematically by first-principles calculations within density-functional theory. The calculated results show that O vacancy is responsible for the magnetism of the BaO-terminated surface and the magnetism of the TiO(2)-terminated surface is induced by Ti vacancy. For the BaO-terminated surface, the magnetism mainly arises from the unpaired electrons that are localized in the O vacancy basin. In contrast, for the TiO(2)-terminated surface, the magnetism mainly originates from the partially occupied O-2p states of the first nearest neighbor O atoms surrounding the Ti vacancy. These results suggest the possibility of implementing magneto-electric coupling in conventional ferroelectric materials.

  16. Ho2O3 additive effects on BaTiO3 ceramics microstructure and dielectric properties

    Directory of Open Access Journals (Sweden)

    Paunović Vesna

    2012-01-01

    Full Text Available Doped BaTiO3-ceramics is very interesting for their application as PTCR resistors, multilayer ceramic capacitors, thermal sensors etc. Ho doped BaTiO3 ceramics, with different Ho2O3 content, ranging from 0.01 to 1.0 wt% Ho, were investigated regarding their microstructural and dielectric characteristics. The samples were prepared by the conventional solid state reaction and sintered at 1320° and 1380°C in an air atmosphere for 4 hours. The grain size and microstructure characteristics for various samples and their phase composition was carried out using a scanning electron microscope (SEM equipped with EDS system. SEM analysis of Ho/BaTiO3 doped ceramics showed that in samples doped with a rare-earth ions low level, the grain size ranged from 20-30μm, while with the higher dopant concentration the abnormal grain growth is inhibited and the grain size ranged between 2- 10μm. Dielectric measurements were carried out as a function of temperature up to 180°C. The low doped samples sintered at 1380°C, display the high value of dielectric permittivity at room temperature, 2400 for 0.01Ho/BaTiO3. A nearly flat permittivity-response was obtained in specimens with higher additive content. Using a Curie-Weiss low and modified Curie-Weiss low the Curie constant (C, Curie temperature (Tc and a critical exponent of nonlinearity (γ were calculated. The obtained value of γ pointed out that the specimens have almost sharp phase transition. [Projekat Ministarstva nauke Republike Srbije, br. 172057: Directed synthesis, structure and properties of multifunctional materials

  17. "Predicting" Polymorphs of Pharmaceuticals Using Hydrogen Bond Propensities: Probenecid and Its Two Single-Crystal-to-Single-Crystal Phase Transitions.

    Science.gov (United States)

    Nauha, Elisa; Bernstein, Joel

    2015-06-01

    The recently developed hydrogen-bonding propensity tool in the Cambridge Structural Database software package (Mercury) was tested to predict polymorphs. The compounds for the study were chosen from a list of approximately 300 pharmaceutically important compounds, for which multiple crystal forms had not been previously reported. The hydrogen-bonding propensity analysis was carried out on approximately 60 randomly selected compounds from this list. Several compounds with a high probability for exhibiting polymorphism in the analysis were chosen for a limited experimental crystal form screening. One of the compounds, probenecid, did not yield polymorphs by traditional solution crystallization screening, but differential scanning calorimetry revealed three polymorphs. All of them exhibit the same hydrogen bonding and transform via two reversible single-crystal-to single-crystal transformations, which have been characterized in detail through three single-crystal structure determinations at appropriate temperatures. © 2015 Wiley Periodicals, Inc. and the American Pharmacists Association.

  18. Ultra-large single crystals by abnormal grain growth.

    Science.gov (United States)

    Kusama, Tomoe; Omori, Toshihiro; Saito, Takashi; Kise, Sumio; Tanaka, Toyonobu; Araki, Yoshikazu; Kainuma, Ryosuke

    2017-08-25

    Producing a single crystal is expensive because of low mass productivity. Therefore, many metallic materials are being used in polycrystalline form, even though material properties are superior in a single crystal. Here we show that an extraordinarily large Cu-Al-Mn single crystal can be obtained by abnormal grain growth (AGG) induced by simple heat treatment with high mass productivity. In AGG, the sub-boundary energy introduced by cyclic heat treatment (CHT) is dominant in the driving pressure, and the grain boundary migration rate is accelerated by repeating the low-temperature CHT due to the increase of the sub-boundary energy. With such treatment, fabrication of single crystal bars 70 cm in length is achieved. This result ensures that the range of applications of shape memory alloys will spread beyond small-sized devices to large-scale components and may enable new applications of single crystals in other metallic and ceramics materials having similar microstructural features.Growing large single crystals cheaply and reliably for structural applications remains challenging. Here, the authors combine accelerated abnormal grain growth and cyclic heat treatments to grow a superelastic shape memory alloy single crystal to 70 cm.

  19. Hall Effect in Bulk-Doped Organic Single Crystals.

    Science.gov (United States)

    Ohashi, Chika; Izawa, Seiichiro; Shinmura, Yusuke; Kikuchi, Mitsuru; Watase, Seiji; Izaki, Masanobu; Naito, Hiroyoshi; Hiramoto, Masahiro

    2017-06-01

    The standard technique to separately and simultaneously determine the carrier concentration per unit volume (N, cm -3 ) and the mobility (μ) of doped inorganic single crystals is to measure the Hall effect. However, this technique has not been reported for bulk-doped organic single crystals. Here, the Hall effect in bulk-doped single-crystal organic semiconductors is measured. A key feature of this work is the ultraslow co-deposition technique, which reaches as low as 10 -9 nm s -1 and enables us to dope homoepitaxial organic single crystals with acceptors at extremely low concentrations of 1 ppm. Both the hole concentration per unit volume (N, cm -3 ) and the Hall mobility (μ H ) of bulk-doped rubrene single crystals, which have a band-like nature, are systematically observed. It is found that these rubrene single crystals have (i) a high ionization rate and (ii) scattering effects because of lattice disturbances, which are peculiar to this organic single crystal. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. Correlation of High Magnetoelectric Coupling with Oxygen Vacancy Superstructure in Epitaxial Multiferroic BaTiO3-BiFeO3 Composite Thin Films

    Directory of Open Access Journals (Sweden)

    Michael Lorenz

    2016-01-01

    Full Text Available Epitaxial multiferroic BaTiO3-BiFeO3 composite thin films exhibit a correlation between the magnetoelectric (ME voltage coefficient αME and the oxygen partial pressure during growth. The ME coefficient αME reaches high values up to 43 V/(cm·Oe at 300 K and at 0.25 mbar oxygen growth pressure. The temperature dependence of αME of the composite films is opposite that of recently-reported BaTiO3-BiFeO3 superlattices, indicating that strain-mediated ME coupling alone cannot explain its origin. Probably, charge-mediated ME coupling may play a role in the composite films. Furthermore, the chemically-homogeneous composite films show an oxygen vacancy superstructure, which arises from vacancy ordering on the {111} planes of the pseudocubic BaTiO3-type structure. This work contributes to the understanding of magnetoelectric coupling as a complex and sensitive interplay of chemical, structural and geometrical issues of the BaTiO3-BiFeO3 composite system and, thus, paves the way to practical exploitation of magnetoelectric composites.

  1. Correlation of High Magnetoelectric Coupling with Oxygen Vacancy Superstructure in Epitaxial Multiferroic BaTiO3-BiFeO3 Composite Thin Films

    Science.gov (United States)

    Lorenz, Michael; Wagner, Gerald; Lazenka, Vera; Schwinkendorf, Peter; Bonholzer, Michael; Van Bael, Margriet J.; Vantomme, André; Temst, Kristiaan; Oeckler, Oliver; Grundmann, Marius

    2016-01-01

    Epitaxial multiferroic BaTiO3-BiFeO3 composite thin films exhibit a correlation between the magnetoelectric (ME) voltage coefficient αME and the oxygen partial pressure during growth. The ME coefficient αME reaches high values up to 43 V/(cm·Oe) at 300 K and at 0.25 mbar oxygen growth pressure. The temperature dependence of αME of the composite films is opposite that of recently-reported BaTiO3-BiFeO3 superlattices, indicating that strain-mediated ME coupling alone cannot explain its origin. Probably, charge-mediated ME coupling may play a role in the composite films. Furthermore, the chemically-homogeneous composite films show an oxygen vacancy superstructure, which arises from vacancy ordering on the {111} planes of the pseudocubic BaTiO3-type structure. This work contributes to the understanding of magnetoelectric coupling as a complex and sensitive interplay of chemical, structural and geometrical issues of the BaTiO3-BiFeO3 composite system and, thus, paves the way to practical exploitation of magnetoelectric composites. PMID:28787843

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

    Science.gov (United States)

    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.

  3. Various properties of the 0.6 BaTiO3–0.4 Ni0. 5Zn0. 5Fe2O4 ...

    Indian Academy of Sciences (India)

    The structural properties of the samples were studied by XRD and Raman spectroscopy which confirm the formation of BaTiO 3 (BTO) phase with a tetragonal perovskite structure and asmall secondary spinel phase due to the ferrite content. The magnetic and electric orderings were investigated by vibrating sample ...

  4. Thermal analysis of formation of nano-crystalline BaTiO3 using Ba(NO32 and TiO2

    Directory of Open Access Journals (Sweden)

    Md. Jawed Ansaree

    2015-12-01

    Full Text Available The reaction of Ba(NO32 with TiO2 was studied by thermogravimetric (TG and differential scanning calorimetric (DSC techniques up to 1000 °C and in nitrogen atmosphere. It was found that the formation of BaTiO3 takes place above 600 °C and that precursor mixing time and heating rate have no effect on the reaction temperature. BaTiO3 powder was prepared by calcination of Ba(NO32 and TiO2 precursor mixture at 800 °C for 8 h. X-ray diffraction analysis of the synthesized BaTiO3 confirmed the formation of tetragonal phase with lattice parameters a = 3.9950±0.0003 Å and c = 4.0318±0.0004 Å. Thermal analysis of the synthesized BaTiO3 powder showed weight loss within temperature range 40–1000 °C of only 0.40%. This small amount of weight loss was connected with some impurity phase, and identified as BaCO3 using Fourier transform infrared (FTIR technique.

  5. Resistivity distribution of silicon single crystals using codoping

    Science.gov (United States)

    Wang, Jong Hoe

    2005-07-01

    Numerous studies including continuous Czochralski method and double crucible technique have been reported on the control of macroscopic axial resistivity distribution in bulk crystal growth. The simple codoping method for improving the productivity of silicon single-crystal growth by controlling axial specific resistivity distribution was proposed by Wang [Jpn. J. Appl. Phys. 43 (2004) 4079]. Wang [J. Crystal Growth 275 (2005) e73] demonstrated using numerical analysis and by experimental results that the axial specific resistivity distribution can be modified in melt growth of silicon crystals and relatively uniform profile is possible by B-P codoping method. In this work, the basic characteristic of 8 in silicon single crystal grown using codoping method is studied and whether proposed method has advantage for the silicon crystal growth is discussed.

  6. Single crystal Processing and magnetic properties of gadolinium nickel

    Energy Technology Data Exchange (ETDEWEB)

    Shreve, Andrew John [Iowa State Univ., Ames, IA (United States)

    2012-01-01

    GdNi is a rare earth intermetallic material that exhibits very interesting magnetic properties. Spontaneous magnetostriction occurs in GdNi at T{sub C}, on the order of 8000ppm strain along the c-axis and only until very recently the mechanism causing this giant magnetostriction was not understood. In order to learn more about the electronic and magnetic structure of GdNi, single crystals are required for anisotropic magnetic property measurements. Single crystal processing is quite challenging for GdNi though since the rare-earth transition-metal composition yields a very reactive intermetallic compound. Many crystal growth methods are pursued in this study including crucible free methods, precipitation growths, and specially developed Bridgman crucibles. A plasma-sprayed Gd2O3 W-backed Bridgman crucible was found to be the best means of GdNi single crystal processing. With a source of high-quality single crystals, many magnetization measurements were collected to reveal the magnetic structure of GdNi. Heat capacity and the magnetocaloric effect are also measured on a single crystal sample. The result is a thorough report on high quality single crystal processing and the magnetic properties of GdNi.

  7. Zinc (tris) thiourea sulphate (ZTS): A single crystal neutron diffraction ...

    Indian Academy of Sciences (India)

    near IR laser radiations. In this study, the crystal structure of ZTS has been ob- tained in detail by single crystal neutron diffraction technique. Using the structural parameters and an existing formalism [1] based on the theory of bond polarizability, the contributions from each of the structural groups in the unit cell to the total.

  8. Photon Cascade from a Single Crystal Phase Nanowire Quantum Dot

    DEFF Research Database (Denmark)

    Bouwes Bavinck, Maaike; Jöns, Klaus D; Zieliński, Michal

    2016-01-01

    We report the first comprehensive experimental and theoretical study of the optical properties of single crystal phase quantum dots in InP nanowires. Crystal phase quantum dots are defined by a transition in the crystallographic lattice between zinc blende and wurtzite segments and therefore offe...

  9. Detection of anomalies in NLO sulphamic acid single crystals by ...

    Indian Academy of Sciences (India)

    The ultrasonic pulse echo overlap technique (PEO) has been used to measure the velocities of 10 MHz acoustic waves in sulphamic acid single crystals in the range of 300–400 K. This study evaluated all the elastic stiffnessconstants, compliance constants and Poisson's ratios of the crystal. The temperature variations of the ...

  10. On the growth of calcium tartrate tetrahydrate single crystals

    Indian Academy of Sciences (India)

    Unknown

    menon, especially those involved in the gel technique. With an aim of controlling nucleation and improving the size, in the present study, we have grown pure calcium tartrate tetrahydrate single crystals using calcium formate mixed with formic acid as the supernatant solution. The grown crystals have been characterized by ...

  11. Single crystal growth of europium and ytterbium based intermetallic ...

    Indian Academy of Sciences (India)

    Abstract. This article covers the use of indium as a potential metal solvent for the crystal growth of europium and ytterbium-based intermetallic compounds. A brief view about the advantage of metal flux technique and the use of indium as reactive and non-reactive flux are outlined. Large single crystals of EuGe2, EuCoGe3.

  12. Ellipsometric studies of ErMnO3 single crystals

    DEFF Research Database (Denmark)

    Babonas, G.-J.; Grivel, Jean-Claude; Reza, A.

    2007-01-01

    Ellipsometric studies of ErMnO3 single crystals have been carried out in the spectral range of 1-5 eV by means of photometric ellipsometers. Experimental ellipsometric data were analysed in the uniaxial crystal model. For the first time, the components of dielectric function of ErMnO3 were...

  13. Single crystal neutron diffraction study of triglycine sulphate revisited

    Indian Academy of Sciences (India)

    atom positions in TGS crystals, neutron diffraction study on TGS was once again undertaken, since neutron diffraction is known to be the only method, which gives exact hydrogen atom position. 2. Experiment. A clear rectangular single crystal of TGS of dimension 3×3.5×3 mm was loaded on a goniometer, which was then ...

  14. Structural, spectroscopic, and dielectric characterizations of Mn-doped 0.67BiFeO3-0.33BaTiO3 multiferroic ceramics

    KAUST Repository

    Hang, Qiming

    2013-09-07

    0.67BiFeO3-0.33BaTiO3 multiferroic ceramics doped with x mol% MnO2 (x = 2–10) were synthesized by solid-state reaction. The formation of a perovskite phase with rhombohedral symmetry was confirmed by X-ray diffraction (XRD). The average grain sizes were reduced from 0.80 μm to 0.50 μm as increasing the Mn-doped levels. Single crystalline nature of the grains was revealed by high-resolution transmission electron microscopy (HRTEM) images and electron diffraction patterns. Polar nano-sized ferroelectric domains with an average size of 9 nm randomly distributed in the ceramic samples were revealed by TEM images. Ferroelectric domain lamellae (71° ferroelectric domains) with an average width of 5 nm were also observed. Vibrational modes were examined by Raman spectra, where only four Raman peaks at 272 cm−1 (E-4 mode), 496 cm−1 (A 1-4 mode), 639 cm−1, and 1338 cm−1 were observed. The blue shifts in the E-4 and A 1-4 Raman mode frequencies were interpreted by a spring oscillator model. The dieletric constants of the present ceramics as a function of the Mn-doped levels exhibited a V-typed curve. They were in the range of 350–700 measured at 103 Hz, and the corresponding dielectric losses were in range of 0.43–0.96, approaching to 0.09 at 106 Hz.

  15. Grain-size effects on thermal properties of BaTiO3 ceramics

    Indian Academy of Sciences (India)

    Administrator

    temperature (Lines et al 1997). It is a typical ABO3 perovskite-type material with a variety of crystal struc- ture modifications. Depending on the transition ... mixed granules with PVA binder were formed into rec- tangular bars by uniaxially pressing and then compacted by cold isostatic pressing (CIP) at 200 MPa. The com-.

  16. Process for Forming a High Temperature Single Crystal Canted Spring

    Science.gov (United States)

    DeMange, Jeffrey J (Inventor); Ritzert, Frank J (Inventor); Nathal, Michael V (Inventor); Dunlap, Patrick H (Inventor); Steinetz, Bruce M (Inventor)

    2017-01-01

    A process for forming a high temperature single crystal canted spring is provided. In one embodiment, the process includes fabricating configurations of a rapid prototype spring to fabricate a sacrificial mold pattern to create a ceramic mold and casting a canted coiled spring to form at least one canted coil spring configuration based on the ceramic mold. The high temperature single crystal canted spring is formed from a nickel-based alloy containing rhenium using the at least one coil spring configuration.

  17. Dielectric behaviour of strontium tartrate single crystals

    Indian Academy of Sciences (India)

    Unknown

    on second harmonic generation, crystal oscillators and rescuators, and devices to central laser emission are ... molecular structure of tartrate, monohydrotartrate and water indents. Since the data on dielectric properties .... Design of sample holder used for measurements. Evacuation of the holder is not required. 1. Sample ...

  18. Crystal growth and scintillation properties of Pr-doped SrI2 single crystals

    Science.gov (United States)

    Yokota, Yuui; Ito, Tomoki; Yoshino, Masao; Yamaji, Akihiro; Ohashi, Yuji; Kurosawa, Shunsuke; Kamada, Kei; Yoshikawa, Akira

    2018-04-01

    Pr-doped SrI2 (Pr:SrI2) single crystals with various Pr concentrations were grown by the halide-micro-pulling-down (H-μ-PD) method, and the scintillation properties were investigated. Pr1%:SrI2 single crystal with high transparency could be grown by the H-μ-PD method while Pr2, 3 and 5%:SrI2 single crystals included some cracks and opaque parts. In the photoluminescence spectrum of the Pr1%:SrI2 single crystal, an emission peak originated from the Pr3+ ion was observed around 435 nm while the radioluminescence spectra showed an emission peak around 535 nm for the undoped SrI2 and Pr:SrI2 single crystals. Light yields of Pr1, 2, 3 and 5%:SrI2 single crystals under γ-ray irradiation were 7700, 8700, 7200 and 6700 photons/MeV, respectively. Decay times of Pr1 and 2%:SrI2 single crystals under γ-ray irradiation were 55.9 and 35.0 ns of the fast decay component, and 435 and 408 ns of the slow decay component, respectively.

  19. Iron single crystal growth from a lithium-rich melt

    Science.gov (United States)

    Fix, M.; Schumann, H.; Jantz, S. G.; Breitner, F. A.; Leineweber, A.; Jesche, A.

    2018-03-01

    α -Fe single crystals of rhombic dodecahedral habit were grown from a Li84N12Fe∼3 melt. Crystals of several millimeter along a side form at temperatures around T ≈ 800 ° C. Upon further cooling the growth competes with the formation of Fe-doped Li3N. The b.c.c. structure and good sample quality of α -Fe single crystals were confirmed by X-ray and electron diffraction as well as magnetization measurements and chemical analysis. A nitrogen concentration of 90 ppm was detected by means of carrier gas hot extraction. Scanning electron microscopy did not reveal any sign of iron nitride precipitates.

  20. Raman spectra of deuteriated taurine single crystals

    Science.gov (United States)

    Souza, J. M. de; Lima, R. J. C.; Freire, P. T. C.; Sasaki, J. M.; Melo, F. E. A.; Filho, J. Mendes; Jones, Derry W.

    2005-05-01

    The polarized Raman spectra of partially deuteriated taurine [(ND 3+) 0.65(NH 3+) 0.35(CH 2) 2SO 3-] crystals from x( zz) x and x( zy) x scattering geometries of the A g and B g irreducible representations of the factor group C 2h are reported. The temperature-dependent Raman spectra of partially deuteriated taurine do not reveal any evidence of the structural phase transition undergone by normal taurine at about 250 K, but an anomaly observed in the 180 cm -1 band at ˜120 K implies a different dynamic for this band (which is involved in a pressure-induced phase transition) in the deuteriated crystal.

  1. Solid State Recrystallization of Single Crystal Ce:LSO Scintillator Crystals for High Resolution Detectors

    Science.gov (United States)

    2012-06-01

    Advances in our knowledge of scintillation and semiconductor materials, plastics , organics, glass, synthesized nano-crystal fabrics and fluids as...are few electron traps leading to non-radioactive transitions that quench the primary scintillation mechanisms. In addition the host lattice has a...TR-10-69 Solid State Recrystallization of Single Crystal Ce:LSO Scintillator Crystals for High Resolution Detectors Approved for public release

  2. Controlled growth of filamentary crystals and fabrication of single-crystal whisker probes

    International Nuclear Information System (INIS)

    Givargizov, E. I.

    2006-01-01

    The growth of filamentary crystals (whiskers) on a single-crystal substrate through the vapour-liquid-solid mechanism is described. The possibility of fabricating oriented systems of whiskers on the basis of this mechanism of crystal growth is noted. A phenomenon that is important for nanotechnology is noted: the existence of a critical diameter of whiskers, below which they are not formed. The phenomenon of radial periodic instability, which is characteristic of nanowhiskers, is described and the ways of its elimination are shown. The possibility of transforming whiskers into single-crystal tips and the growth of crystalline diamond particles at their apices are noted as important for practice. Possible applications of systems of whiskers and tips are described briefly. Particular attention is paid to the latest direction in whisker technology-fabrication of single-crystal whisker probes for atomic force microscopy

  3. Elastic properties of Ti-24Nb-4Zr-8Sn single crystals with bcc crystal structure

    International Nuclear Information System (INIS)

    Zhang, Y.W.; Li, S.J.; Obbard, E.G.; Wang, H.; Wang, S.C.; Hao, Y.L.; Yang, R.

    2011-01-01

    Research highlights: → The single crystals of Ti2448 alloy with the bcc crystal structure were prepared. → The elastic moduli and constants were measured by several resonant methods. → The crystal shows significant elastic asymmetry in tension and compression. → The crystal exhibits weak nonlinear elasticity with large elastic strain ∼2.5%. → The crystal has weak atomic interactions against crystal distortion to low symmetry. - Abstract: Single crystals of Ti2448 alloy (Ti-24Nb-4Zr-8Sn in wt.%) were grown successfully using an optical floating-zone furnace. Several kinds of resonant methods gave consistent Young's moduli of 27.1, 56.3 and 88.1 GPa and shear moduli of 34.8, 11.0 and 14.6 GPa for the , and oriented single crystals, and C 11 , C 12 and C 44 of 57.2, 36.1 and 35.9 GPa respectively. Uniaxial testing revealed asymmetrical elastic behaviors of the crystals: tension caused elastic softening with a large reversible strain of ∼4% and a stress plateau of ∼250 MPa, whereas compression resulted in gradual elastic stiffening with much smaller reversible strain. The crystals exhibited weak nonlinear elasticity with a large elastic strain of ∼2.5% and a high strength, approaching ∼20% and ∼30% of its ideal shear and ideal tensile strength respectively. The crystals showed linear elasticity with a small elastic strain of ∼1%. These elastic deformation characteristics have been interpreted in terms of weakened atomic interactions against crystal distortion to low crystal symmetry under external applied stresses. These results are consistent with the properties of polycrystalline Ti2448, including high strength, low elastic modulus, large recoverable strain and weak strengthening effect due to grain refinement.

  4. Mesoporous Zeolite Single Crystals for Catalytic Hydrocarbon Conversion

    DEFF Research Database (Denmark)

    Schmidt, I.; Christensen, Claus H.; Kustova, Marina

    2005-01-01

    Recently, mesoporous zeolite single crystals were discovered. They constitute a novel family of materials that features a combined micropore and mesopore architecture within each individual crystal. Here, we briefly summarize recent catalytic results from cracking and isomerization of alkalies......, alkylation of aromatics and present new results on isomerization of aromatics. Specifically, the shape-selective isomerization of meta-xylenc into para-xylene and ortho-xylene is studied. In all these reactions, rnesoporous zeolite single crystals prove to be unique catalysts since they provide easy...... transport to and from active sites and at the same time maintain the shape-selectivity required. Thus, all these results support the idea that the beneficial effect of the mesopores system in the mesoporous zeolite single crystals call be solely attributed to enhanced mass transport....

  5. A single crystal neutron diffraction study on mixed crystal (K) 0. 25 ...

    Indian Academy of Sciences (India)

    Home; Journals; Bulletin of Materials Science; Volume 41; Issue 1. A single crystal neutron diffraction study on mixed crystal (K) 0.25 ( N H _4 ) _{0.75}H 2 PO 4 : tuning of short strong hydrogen bonds by ionic interactions. RAJUL RANJAN CHOUDHURY R CHITRA. Volume 41 Issue 1 February 2018 Article ID 8 ...

  6. Ferroelectric Domain Walls in BaTiO_3: Fingerprints in XRPD Diagrams and Quantitative HRTEM Image Analysis

    Science.gov (United States)

    Floquet, N.; Valot, C. M.; Mesnier, M. T.; Niepce, J. C.; Normand, L.; Thorel, A.; Kilaas, R.

    1997-06-01

    The structure of ferroelectric domain walls in BaTiO3 has been investigated through two complementary approaches, a global one by the fine analysis of X-ray diffraction patterns, the other essentially local via a quantitative image analysis method developed and applied to High Resolution Transmission Electron Microscopy images. These two original approaches converge towards a clear description of 90^{circ} walls which are shown to be a 4 6 nm wide region where the crystallographic discontinuity is accommodated by irregular atomic displacements. The results given here demonstrate that the usual structural theoretical description of walls commonly accepted for energy calculations are far too simplistic. The two underlying methodologies which have been developed to carry out these approaches can possibly be applied to other ferroelectrics, but without any doubt to other systems where twins or coherent interfaces are expected. Une étude de la structure des murs de domaines ferroélectriques dans BaTiO3 est réalisée à travers deux approches complémentaires : une approche globale par une méthode fine d'analyse des diagrammes de poudre de diffraction des rayons X, et une autre très locale par une méthode quantitative d'analyse des images obtenues par microscopie électronique de haute résolution. Ces deux approches originales convergent vers une description claire des murs de domaines à 90^{circ} : c'est une région large de 4 6 nm où la discontinuité cristallographique est accommodée par des déplacements atomiques irréguliers. Ces résultats montrent que la description structurale théorique communément utilisée pour des calculs d'énergies est de loin trop simpliste. Les méthodologies développées, propres à chacune des analyses structurales utilisées, peuvent être appliquées à l'étude de tout autre matériau ferroélectrique, mais aussi à tout autre matériau cristallisé où des maclages ou interfaces cohérentes sont attendues.

  7. Mesoscale martensitic transformation in single crystals of topological defects

    Energy Technology Data Exchange (ETDEWEB)

    Li, Xiao; Martínez-González, José A.; Hernández-Ortiz, Juan P.; Ramírez-Hernández, Abelardo; Zhou, Ye; Sadati, Monirosadat; Zhang, Rui; Nealey, Paul F.; de Pablo, Juan J.

    2017-09-05

    Liquid crystal blue phases (BPs) are highly ordered at two levels. Molecules exhibit orientational order at nanometer length scales, while chirality leads to ordered arrays of doubletwisted cylinders over micrometer scales. Past studies of polycrystalline BPs were challenged by grain boundaries between randomly oriented crystalline nanodomains. Here, the nucleation of BPs is controlled with considerable precision by relying on chemically nano-patterned surfaces, leading to macroscopic single-crystal BP specimens where the dynamics of meso-crystal formation can be directly observed. Theory and experiments show that transitions between two BPs having a different network structure proceed through local re-organization of the crystalline array, without diffusion of the double twisted cylinders. In solid crystals, martensitic transformations between crystal structures involve the concerted motion of a few atoms, without diffusion. The transformation between BPs, where crystal features arise in the sub-micron regime, is found to be martensitic in nature, with the diffusion-less feature associated to the collective behavior of the double twist cylinders. Single-crystal BPs are shown to offer fertile grounds for the study of directed crystal-nucleation and the controlled growth of soft matter.

  8. Anisotropy of Single-Crystal Silicon in Nanometric Cutting.

    Science.gov (United States)

    Wang, Zhiguo; Chen, Jiaxuan; Wang, Guilian; Bai, Qingshun; Liang, Yingchun

    2017-12-01

    The anisotropy exhibited by single-crystal silicon in nanometric cutting is very significant. In order to profoundly understand the effect of crystal anisotropy on cutting behaviors, a large-scale molecular dynamics model was conducted to simulate the nanometric cutting of single-crystal silicon in the (100)[0-10], (100)[0-1-1], (110)[-110], (110)[00-1], (111)[-101], and (111)[-12-1] crystal directions in this study. The simulation results show the variations of different degrees in chip, subsurface damage, cutting force, and friction coefficient with changes in crystal plane and crystal direction. Shear deformation is the formation mechanism of subsurface damage, and the direction and complexity it forms are the primary causes that result in the anisotropy of subsurface damage. Structurally, chips could be classified into completely amorphous ones and incompletely amorphous ones containing a few crystallites. The formation mechanism of the former is high-pressure phase transformation, while the latter is obtained under the combined action of high-pressure phase transformation and cleavage. Based on an analysis of the material removal mode, it can be found that compared with the other crystal direction on the same crystal plane, the (100)[0-10], (110)[-110], and (111)[-101] directions are more suitable for ductile cutting.

  9. Benzothiazolium Single Crystals: A New Class of Nonlinear Optical Crystals with Efficient THz Wave Generation.

    Science.gov (United States)

    Lee, Seung-Heon; Lu, Jian; Lee, Seung-Jun; Han, Jae-Hyun; Jeong, Chan-Uk; Lee, Seung-Chul; Li, Xian; Jazbinšek, Mojca; Yoon, Woojin; Yun, Hoseop; Kang, Bong Joo; Rotermund, Fabian; Nelson, Keith A; Kwon, O-Pil

    2017-08-01

    Highly efficient nonlinear optical organic crystals are very attractive for various photonic applications including terahertz (THz) wave generation. Up to now, only two classes of ionic crystals based on either pyridinium or quinolinium with extremely large macroscopic optical nonlinearity have been developed. This study reports on a new class of organic nonlinear optical crystals introducing electron-accepting benzothiazolium, which exhibit higher electron-withdrawing strength than pyridinium and quinolinium in benchmark crystals. The benzothiazolium crystals consisting of new acentric core HMB (2-(4-hydroxy-3-methoxystyryl)-3-methylbenzo[d]thiazol-3-ium) exhibit extremely large macroscopic optical nonlinearity with optimal molecular ordering for maximizing the diagonal second-order nonlinearity. HMB-based single crystals prepared by simple cleaving method satisfy all required crystal characteristics for intense THz wave generation such as large crystal size with parallel surfaces, moderate thickness and high optical quality with large optical transparency range (580-1620 nm). Optical rectification of 35 fs pulses at the technologically very important wavelength of 800 nm in 0.26 mm thick HMB crystal leads to one order of magnitude higher THz wave generation efficiency with remarkably broader bandwidth compared to standard inorganic 0.5 mm thick ZnTe crystal. Therefore, newly developed HMB crystals introducing benzothiazolium with extremely large macroscopic optical nonlinearity are very promising materials for intense broadband THz wave generation and other nonlinear optical applications. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. Corelli: Efficient single crystal diffraction with elastic discrimination

    Indian Academy of Sciences (India)

    corporates only the source, a pseudorandom chopper, a sample, and a single point detector at a fixed scattering angle. For the simulations we utilized parameters relevant to Corelli, the dedicated single crystal diffuse scattering instrument under development at SNS, i.e., facing the high-resolution water moderator [17], ...

  11. Crystal growth and characterization of a semiorganic nonlinear optical single crystal of gamma glycine

    International Nuclear Information System (INIS)

    Prakash, J. Thomas Joseph; Kumararaman, S.

    2008-01-01

    Gamma glycine has been successfully synthesized by taking glycine and potassium chloride and single crystals have been grown by solvent evaporation method for the first time. The grown single crystals have been analyzed with XRD, Fourier transform infrared (FTIR), and thermo gravimetric and differential thermal analyses (TG/DTA) measurements. Its mechanical behavior has been assessed by Vickers microhardness measurements. Its nonlinear optical property has been tested by Kurtz powder technique. Its optical behavior was examined by UV-vis., and found that the crystal is transparent in the region between 240 and 1200 nm. Hence, it may be very much useful for the second harmonic generation (SHG) applications

  12. Microscopic single-crystal refractometry as a function of wavelength

    International Nuclear Information System (INIS)

    DeLoach, L.D.

    1994-01-01

    The refractive indices of crystal fragments 50--200 μm in size can be measured for light wavelengths between 365 and 1100 nm with a spindle-stage refractometer. Established methods from optical crystallograpy are used to orient a crystal on the microscope spindle stage and then to match its refractive index to an immersion fluid. The refractive index of the fluid for the wavelength of light and matching temperature is determined by comparison of a reference crystal on a second spindle axis with the fluid under the match conditions. Investigations of new nonlinear-optical crystals admirably demonstrate the advantages of measuring the refractive index to ± 0.0004 in small single crystals

  13. Tuning electrical conductivity, charge transport, and ferroelectricity in epitaxial BaTiO3 films by Nb-doping

    Science.gov (United States)

    Jing, Xiaosai; Xu, Wenchao; Yang, Cheng; Feng, Jiajun; Zhang, Aihua; Zeng, Yanping; Qin, Minghui; Zeng, Min; Fan, Zhen; Gao, Jinwei; Gao, Xingsen; Zhou, Guofu; Lu, Xubing; Liu, J.-M.

    2017-05-01

    The electrical conductivity, charge transport behavior, and ferroelectricity of epitaxial BaNbxTi1-xO3 films (BNTO, 0.0 ≤ x ≤ 0.5) prepared by pulsed laser deposition are investigated. It is found that Nb-doping can tune the conventional insulating BaTiO3 films from an insulating to highly conductive semiconducting or metallic state, resulting in a variation of the electrical conductivity of the BNTO films over 105. For x ≤ 0.25, the charge transport is dominated by the small polaron hopping mechanism, while the charge transport for x = 0.5 transits from the bipolaron to the small-polaron, and then the thermal phonon scattering mechanisms with increasing temperature. Interestingly, the piezo-force microscopy imaging reveals the presence of ferroelectricity in the properly Nb-doped conductive BNTO films (x ≤ 0.25) deposited in the presence of a small amount of oxygen (3 × 10-3 Pa). Our work provides additional technical roadmaps to manipulate the conductivity and charge transport behaviors in ferroelectric films, which will boost potential applications in future information storage, sensors, and photovoltaic devices.

  14. Modulation of resistive switching characteristics for individual BaTiO3 microfiber by surface oxygen vacancies

    Science.gov (United States)

    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.

  15. Observation of ferroelectricity at room temperature in 1 nm thick conducting BaTiO3'δ

    Science.gov (United States)

    Lee, Seungran; Baasanforj, Lkhagvasuren; Chang, Jungwon; Hwang, Inwoong; Kim, Jungrae; Shim, Seungbo; Song, Jonghyun; Kim, Jinhee

    Requirements of multi-functionalities in thin-film systems have led important findings of unique physical character and degree of freedom which only exist in film forms. As growth technique gets advanced, one can decrease the film thickness even nm scale where its unique physical character still appears. Among those intriguing film systems, ferroelectric has been of interest. As a prototype ferroelectric, electrical properties of ultra-thin BaTiO3 (BTO) films have extensively studied, which is found that ferroelectricity sustains down to nm-thick films as theoretically predicted. However, efforts on determination of the minimum thickness in ferroelectric films was hindered by large leakage current. In this study, we used nm-thick BTO films showing metallic-like behaviour around room temperature (RT). Surprisingly, even the 2 unit-cells-thick metallic-like BTO film shows ferroelectric switching behaviour at RT! Observation of such ultra-thin conducting ferroelectric will enlarge its applicable fields leading realization of new functional devices and investigations of further physical phenomena.

  16. Dielectric properties of a BaTiO3 ceramic prepared by using the freeze drying method

    International Nuclear Information System (INIS)

    Al-Shakarchi, Emad K.

    2010-01-01

    A modified catecholate process has been developed to synthesize high-purity barium titanate by using a freeze drying method to produce ultra-fine powders from a barium titanium catechol complex, Ba[Ti(C 6 H 4 O 2 ) 3 ]. The complex prepared from TiCl 4 , C 6 H 4 (OH) 2 and BaCO 3 . The freeze drying of the complex Ba[Ti(C 6 H 4 O 2 ) 3 ] under a primary vacuum at a freezing temperature of -50 .deg. C for a long time 24 hrs is necessary to transfer the complex Ba[Ti(C 6 H 4 O 2 ) 3 ] from a liquid phase to a solid phase. A subsequent calcination of the complex for 12 hrs at a temperature of 700 .deg. C was very important to remove the acetates from the mixture. Finally, a sintering process was required for the pellets so that high density samples could be investigated. The dielectric properties, the structural phase, and the particle size of the sintered pellets have investigated as functions of frequency and temperature in order to determine the critical temperature for the phase transition. X-ray diffraction was used to investigate the structural properties and the particle size. The tetragonal phase of BaTiO 3 with the lattice constants a = b = 3.9734 A, and c = 4.012 A was successfully obtained.

  17. Enhancing the mechanical properties of single-crystal CVD diamond.

    Science.gov (United States)

    Liang, Qi; Yan, Chih-Shiue; Meng, Yufei; Lai, Joseph; Krasnicki, Szczesny; Mao, Ho-Kwang; Hemley, Russell J

    2009-09-09

    Approaches for enhancing the strength and toughness of single-crystal diamond produced by chemical vapor deposition (CVD) at high growth rates are described. CVD processes used to grow single-crystal diamond in high density plasmas were modified to incorporate boron and nitrogen. Semi-quantitative studies of mechanical properties were carried out using Vickers indentation techniques. The introduction of boron in single-crystal CVD diamond can significantly enhance the fracture toughness of this material without sacrificing its high hardness (∼78 GPa). Growth conditions were varied to investigate its effect on boron incorporation and optical properties by means of photoluminescence, infrared, and ultraviolet-visible absorption spectroscopy. Boron can be readily incorporated into single-crystal diamond by the methods used, but with nitrogen addition, the incorporation of boron was hindered. The spectroscopic measurements indicate that nitrogen and boron coexist in the diamond structure, which helps explain the origin of the enhanced fracture toughness of this material. Further, low pressure/high temperature annealing can enhance the intrinsic hardness of single-crystal CVD diamond by a factor of two without appreciable loss in fracture toughness. This doping and post-growth treatment of diamond may lead to new technological applications that require enhanced mechanical properties of diamond.

  18. Structural, spectral and mechanical studies of bimetallic crystal: cadmium manganese thiocyanate single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Manikandan, M.; Vijaya Prasath, G.; Mahalingam, T.; Ravi, G. [Alagappa University, Department of Physics, Karaikudi (India); Bhagavannarayan, G.; Vijayan, N. [National Physical Laboratory, Materials Characterization Division, New Delhi (India)

    2012-09-15

    A nonlinear optical bimetallic thiocyanate complex crystal, cadmium manganese thiocyanate (CMTC) has been successfully synthesized. The growth of single crystals of cadmium manganese thiocyanate has been accomplished from aqueous solution using slow evaporation method. The presence of manganese and cadmium in the synthesized material was confirmed through energy dispersive spectrum (EDS) analysis. Structural analysis was carried out using powder X-ray diffractometer (PXRD) and crystalline perfection of the grown crystals was ascertained by high-resolution X-ray diffraction (HRXRD) analysis. Fourier transform infrared (FTIR) spectrum was taken to confirm the functional groups. The transmittance spectrum of the crystal in the UV-visible region has been recorded and the cutoff wavelength has been determined. The dielectric measurements for the crystals were performed for various frequencies and temperatures. The mechanical properties were evaluated by Vickers microhardness testing, which reveals hardness and stiffness constant of the crystals. (orig.)

  19. Luminescence of YAB:Er single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Foeldvari, I.; Beregi, E.; Watterich, A. [Research Institute for Solid State Physics and Optics, HAS, Konkoly-Thege u. 29-33, 1121 Budapest (Hungary); Solarz, P.; Dominiak-Dzik, G.; Ryba-Romanowski, W. [Institute of Low Temperature and Structure Research, PAS, Okolna 2, 50422 Wroclaw (Poland)

    2007-03-15

    Luminescence spectra of YAB:Er crystals were studied in the ultraviolet-visible region and in the 10-300 K temperature range. The dominant Er{sup 3+}-emission belonged to the {sup 4}S{sub 3/2} {yields} {sup 4}I{sub 15/2} transition (18000-18500 cm{sup -1}). Its Stark components were assigned and found to be consistent with those derived from the absorption spectra. The lifetime of the luminescence was determined as a function of temperature and Er-concentration, and the decay kinetics was analyzed. (copyright 2007 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  20. Estudio del perfil de defectos y de las propiedades eléctricas de BaTiO3 dopado con Nb y La

    Directory of Open Access Journals (Sweden)

    Castro, M. S.

    2002-02-01

    Full Text Available The aim of this work is to study the impact of two different and typical donor –dopants; Nb2O5 and La2O3, on the electrical properties of BaTiO3. Besides, the influence of Nb5+ and La3+ on the charge compensation mechanism was evaluated. On this way, it was determined that, the defect structure is not only affected by the dopant ion but also by its concentration. Amount of dopant also affects the electrical properties of BaTiO3 ceramics. In fact, for low Nb2O5 or La2O3 concentration, electronic compensation prevails, leading to a low – resistive material with an important PTCR effect. By EPR an increases in the oxygen vacancies with a low lanthanum addition was determined. This phenomenon could be associated to the lanthanum acceptor behavior. On the other hand, high dopant concentration leads to a high – resistive material showing GBBL characteristics. In this case, a high content of double – ionized barium vacancies able to trap electrons, and a thin glassy – phase film covering the BaTiO3 grains lead to a high – resistive material. This phenomenon encourages the hypothesis in which barium vacancies act as acceptor centers at the grain boundaries in BaTiO3 ceramics.En este trabajo, se estudia el impacto de la adición de Nb2O5 o La2O3 sobre las propiedades eléctricas de cerámicos basados en BaTiO3. Asimismo, se estudia la influencia de estos dos típicos dopantes en los mecanismos de compensación de cargas. En este sentido, se ha determinado que la estructura de defectos en el BaTiO3 no sólo se encuentra afectada por el tipo de dopante sino tambien por su concentración. En efecto, para bajas concentraciones de Nb2O5 o La2O3, predomina un mecanismo de compensación de cargas por generación de electrones. Sin embargo, los resultados de EPR muestran que la adición de una pequeña cantidad de La2O3 produce un notable incremento en la concentración de vacantes de oxígeno respecto del BaTiO3 sin dopar. Este fenómeno podría estar asociado con un comportamiento aceptor del La al incorporarse en los sitios de Ti. Por otra parte, se ha verificado que la concentración de dopante también condiciona las propiedades eléctricas obtenidas. En efecto, en los dos sistemas estudiados se observó que para materiales dopados con una baja concentración de aditivo existe un comportamiento eléctrico tipo semiconductor a temperatura ambiente, con un efecto PTCR. Por el contrario, se ha verificado que altas concentraciones de aditivo producen un material con importantes características GBBL a temperatura ambiente y un comportamiento resistivo tipo NTCR al incrementarse la temperatura. En este caso, la reducción de un gran contenido de vacantes iónicas tipo VBa” y la existencia de una fase vítrea rodeando los granos originan un material altamente resistivo. Este fenómeno refuerza la hipótesis en la cual vacantes de bario actúan como centros aceptores en los bordes de grano de BaTiO3.

  1. Direct approach for flexoelectricity from first-principles calculations: cases for SrTiO3 and BaTiO3

    International Nuclear Information System (INIS)

    Xu, Tao; Wang, Jie; Shimada, Takahiro; Kitamura, Takayuki

    2013-01-01

    Understanding the nature of flexoelectricity, which is the linear response of electric polarization to a strain gradient, has recently become crucial for nanostructured dielectrics and ferroelectrics because of their complicated strain distribution. This paper presents a direct and full approach at the atomic level to predict flexoelectricity for dielectrics based on first-principles calculations. The flexoelectric coefficients of BaTiO 3 and SrTiO 3 are directly calculated as the representatives of ferroelectric and paraelectric materials, respectively. For SrTiO 3 , the flexoelectric coefficients predicted from our approach are in good agreement with the experimental measurements. For BaTiO 3 , our predictions have a large discrepancy from the experimental measurements. In a practical situation, defect and surface effects are inevitable, and have a significant influence on the flexoelectricity. Direct methods have the advantage of including the extrinsic contributions from surface and defect effects. (paper)

  2. Direct approach for flexoelectricity from first-principles calculations: cases for SrTiO3 and BaTiO3.

    Science.gov (United States)

    Xu, Tao; Wang, Jie; Shimada, Takahiro; Kitamura, Takayuki

    2013-10-16

    Understanding the nature of flexoelectricity, which is the linear response of electric polarization to a strain gradient, has recently become crucial for nanostructured dielectrics and ferroelectrics because of their complicated strain distribution. This paper presents a direct and full approach at the atomic level to predict flexoelectricity for dielectrics based on first-principles calculations. The flexoelectric coefficients of BaTiO3 and SrTiO3 are directly calculated as the representatives of ferroelectric and paraelectric materials, respectively. For SrTiO3, the flexoelectric coefficients predicted from our approach are in good agreement with the experimental measurements. For BaTiO3, our predictions have a large discrepancy from the experimental measurements. In a practical situation, defect and surface effects are inevitable, and have a significant influence on the flexoelectricity. Direct methods have the advantage of including the extrinsic contributions from surface and defect effects.

  3. Direct approach for flexoelectricity from first-principles calculations: cases for SrTiO3 and BaTiO3

    Science.gov (United States)

    Xu, Tao; Wang, Jie; Shimada, Takahiro; Kitamura, Takayuki

    2013-10-01

    Understanding the nature of flexoelectricity, which is the linear response of electric polarization to a strain gradient, has recently become crucial for nanostructured dielectrics and ferroelectrics because of their complicated strain distribution. This paper presents a direct and full approach at the atomic level to predict flexoelectricity for dielectrics based on first-principles calculations. The flexoelectric coefficients of BaTiO3 and SrTiO3 are directly calculated as the representatives of ferroelectric and paraelectric materials, respectively. For SrTiO3, the flexoelectric coefficients predicted from our approach are in good agreement with the experimental measurements. For BaTiO3, our predictions have a large discrepancy from the experimental measurements. In a practical situation, defect and surface effects are inevitable, and have a significant influence on the flexoelectricity. Direct methods have the advantage of including the extrinsic contributions from surface and defect effects.

  4. Large Silver Halide Single Crystals as Charged Particle Track Detectors

    Science.gov (United States)

    Kusmiss, J. H.

    1972-01-01

    The trajectory of the particle is made visible under a microscope by the accumulation of metallic silver at regions of the lattice damaged by the particle. This decoration of the particle track is accomplished by exposure of the crystal to light. The decoration of normally present lattice imperfections such as dislocations can be suppressed by the addition to the crystal of less than ten parts per million of a suitable polyvalent metal impurity. An account of some preliminary attempts to grow thin single crystals of AgCl is given also, and suggestions for a more refined technique are offered.

  5. Characteristics of trapped electrons and electron traps in single crystals

    International Nuclear Information System (INIS)

    Budzinski, E.E.; Potter, W.R.; Potienko, G.; Box, H.C.

    1979-01-01

    Two additional carbohydrates are reported whose crystal structures trap electrons intermolecularly in single crystals x irradiated at low temperature, namely sucrose and rhamnose. Five carbohydrate and polyhydroxy compounds are now known which exhibit this phenomenon. The following characteristics of the phenomenon were investigated: (1) the hyperfine couplings of the electron with protons of the polarized hydroxy groups forming the trap; (2) the distances between these protons and the trapped electron; (3) the spin density of the electron at the protons and (4) the relative stabilities of the electron trapped in various crystal structures

  6. Single crystal surface structure by bragg scattering

    DEFF Research Database (Denmark)

    Nielsen, Mogens

    1985-01-01

    X-ray diffraction is becoming an important tool in the measurements of surface structures. Single crystalline samples are used as in Low Energy Electron Diffraction (LEED)-studies. The X-ray technique is somewhat more involved due to the need of bright, collimated photon sources, in general...

  7. Engrosamiento anormal de partículas submicronicas de BaTiO3 durante la primera etapa de sinterización

    Directory of Open Access Journals (Sweden)

    Fernández, J. F.

    1999-12-01

    Full Text Available The aim of the present paper is to describe the phenomena observed during sintering of submicronic BaTiO3 particles. For this purpose, constant heating rate experiments have been done at 10ºC/min up to 1400ºC. According to the behaviour observed on the shrinkage curves, several samples were quenched at different temperatures and their microstructures on fracture surfaces were studied by SEM. During the initial sintering of submicronic BaTiO3 particles, abnormal coarsening up to twice their initial size was observed. Such a coarsening could improve material densification by a coarsening-re-packing mechanism.En el presente trabajo se aborda la descripción de los fenómenos observados durante la sinterización de partículas submicrónicas de BaTiO3. Para ello se han realizado ensayos de dilatometría a 10ºC/min hasta 1400ºC. De acuerdo con el comportamiento observado en las curvas de contracción, se realizaron enfriamientos bruscos de muestras a diferentes temperaturas y se estudió la microestructura de las mismas mediante Microscopía Electrónica de Barrido (MEB sobre superficies de fractura de dichas muestras. Durante el estado inicial de la sinterización de partículas submicrónicas de BaTiO3 se produce un engrosamiento anormal de las mismas, llegando a doblar su tamaño original. Este fenómeno podría contribuir a la densificación del material de acuerdo con un mecanismo de engrosamiento y re-empaquetamiento.

  8. Substantial enhancement of energy storage capability in polymer nanocomposites by encapsulation of BaTiO3NWs with variable shell thickness.

    Science.gov (United States)

    Wang, Guanyao; Huang, Yanhui; Wang, Yuxin; Jiang, Pingkai; Huang, Xingyi

    2017-08-09

    Dielectric polymer nanocomposites have received keen interest due to their potential application in energy storage. Nevertheless, the large contrast in dielectric constant between the polymer and nanofillers usually results in a significant decrease of breakdown strength of the nanocomposites, which is unfavorable for enhancing energy storage capability. Herein, BaTiO 3 nanowires (NWs) encapsulated by TiO 2 shells of variable thickness were utilized to fabricate dielectric polymer nanocomposites. Compared with nanocomposites with bare BaTiO 3 NWs, significantly enhanced energy storage capability was achieved for nanocomposites with TiO 2 encapsulated BaTiO 3 NWs. For instance, an ultrahigh energy density of 9.53 J cm -3 at 440 MV m -1 could be obtained for nanocomposites comprising core-shell structured nanowires, much higher than that of nanocomposites with 5 wt% raw ones (5.60 J cm -3 at 360 MV m -1 ). The discharged energy density of the proposed nanocomposites with 5 wt% mTiO 2 @BaTiO 3 -1 NWs at 440 MV m -1 seems to rival or exceed those of some previously reported nanocomposites (mostly comprising core-shell structured nanofillers). More notably, this study revealed that the energy storage capability of the nanocomposites can be tailored by the TiO 2 shell thickness. Finite element simulations were employed to analyze the electric field distribution in the nanocomposites. The enhanced energy storage capability should be mainly attributed to the smoother gradient of dielectric constant between the nanofillers and polymer matrix, which alleviated the electric field concentration and leakage current in the polymer matrix. The methods and results herein offer a feasible approach to construct high-energy-density polymer nanocomposites with core-shell structured nanowires.

  9. Growth of Ti or Fe doped lithium niobate single crystals

    International Nuclear Information System (INIS)

    Lee, J.H.; Kim, J.N.; Ro, J.H.; Kim, J.W.; Jeen, G.S.; Kim, Y.C.; Lee, H.S.

    1982-01-01

    This paper reprots a study of the growth of Ti or Fe doped LiNbO 3 single crystals by Czochralski method and its physical properties. On the basis of this study we have developed a growth procedure that produces a high yield of twin-free boules. The quality is better for crystals that are lightly doped with Ti than for those of high concentrations. However there are no significant quality differences among the crystals with concentrations of less than 0.5wt% of Fe. The crystals are characterized by optical absorption and magnetic susceptibility. Undoped crystals show the magnetic susceptibility of -10x10 -6 cgs, which is diamagnetic. The crystals with 0.01wt% and 0.5wt% of ferromagnetic susceptibilities of 2.6x1a -6 cgs, and 80x10 -6 cgs, respectively. Therefore, Fe-doped crystals are paramagnetic. Very small changes of magnetic susceptibilities have been observed in the Ti-doped crystals. (Author)

  10. Spin and charge transport study in single crystal organic semiconductors

    Science.gov (United States)

    Raman, Karthik V.; Mulder, Carlijn L.; Baldo, Marc A.; Moodera, Jagadeesh S.

    2009-03-01

    Spin transport studies in amorphous rubrene films have shown exciting and promising results [1]. A large spin diffusion length in these amorphous films has increased the motivation to perform spin transport study in high purity single crystal rubrene. This will provide the fundamental understanding on the spin transport behavior in OS; not influenced by defects or traps. We will present work on small channel single crystal rubrene FET device with magnetic electrodes. For example, our preliminary studies have show mobility for FET with Co electrode to be 0.014cm^2/V-s. A study on the spin and charge transport properties in single crystals of OS with magnetic electrodes is being done and the results will be reported. The influence of gate voltage and applied magnetic field on the transport properties will be discussed. [1] J.H. Shim et al., PRL 100, 226603 (2008)

  11. Deformation Induced Microtwins and Stacking Faults in Aluminum Single Crystal

    Science.gov (United States)

    Han, W. Z.; Cheng, G. M.; Li, S. X.; Wu, S. D.; Zhang, Z. F.

    2008-09-01

    Microtwins and stacking faults in plastically deformed aluminum single crystal were successfully observed by high-resolution transmission electron microscope. The occurrence of these microtwins and stacking faults is directly related to the specially designed crystallographic orientation, because they were not observed in pure aluminum single crystal or polycrystal before. Based on the new finding above, we propose a universal dislocation-based model to judge the preference or not for the nucleation of deformation twins and stacking faults in various face-centered-cubic metals in terms of the critical stress for dislocation glide or twinning by considering the intrinsic factors, such as stacking fault energy, crystallographic orientation, and grain size. The new finding of deformation induced microtwins and stacking faults in aluminum single crystal and the proposed model should be of interest to a broad community.

  12. Mechanical properties of hydroxyapatite single crystals from nanoindentation data

    Science.gov (United States)

    Zamiri, A.; De, S.

    2011-01-01

    In this paper we compute elasto-plastic properties of hydroxyapatite single crystals from nanindentation data using a two-step algorithm. In the first step the yield stress is obtained using hardness and Young’s modulus data, followed by the computation of the flow parameters. The computational approach is first validated with data from existing literature. It is observed that hydroxyapatite single crystals exhibit anisotropic mechanical response with a lower yield stress along the [1010] crystallographic direction compared to the [0001] direction. Both work hardening rate and work hardening exponent are found to be higher for indentation along the [0001] crystallographic direction. The stress-strain curves extracted here could be used for developing constitutive models for hydroxyapatite single crystals. PMID:21262492

  13. Characterization of MnO4-/KBr Single Crystal

    International Nuclear Information System (INIS)

    Win Kyaw; Win Zaw; Thein Soe; Pho Kaung; Sein Htoon

    2006-06-01

    Manually operated X- ray diffractometer (Tel-X-Ometer 580) was upgraded successfully into the Personal Computer (PC) based instrument. Utilizing this together with Fourier Transform Infrared (FTIR) Spectrophotometer investigates the effect of doping Permanganate, MnO4- , ions into Potassium Bromide, KBr, single crystal. XRD spectra of the pure KBr single crystal and the MnO4 doped KBr (MnO4- / KBr) single crystal are found to be similar irrespective of the dopant MnO4- ion. The IR spectrum, however, confirms the existence of MnO4- matrix isolated in KBr. The high intensity of the resonance Raman transitions is employed to examine the dopants in substrate which are present in such low abundances that conventional Raman Spectroscopy cannot detect

  14. Local manifestations of a static magnetoelectric effect in nanostructured BaTiO3-BaFe12O9 composite multiferroics

    Science.gov (United States)

    Trivedi, Harsh; Shvartsman, Vladimir V.; Lupascu, Doru C.; Medeiros, Marco S. A.; Pullar, Robert C.; Kholkin, Andrei L.; Zelenovskiy, Pavel; Sosnovskikh, Andrey; Shur, Vladimir Ya.

    2015-02-01

    A study on magnetoelectric phenomena in the barium titanate-barium hexaferrite (BaTiO3-BaFe12O19) composite system, using high resolution techniques including switching spectroscopy piezoresponse force microscopy (SSPFM) and spatially resolved confocal Raman microscopy (CRM), is presented. It is found that both the local piezoelectric coefficient and polarization switching parameters change on the application of an external magnetic field. The latter effect is rationalized by the influence of magnetostrictive stress on the domain dynamics. Processing of the Raman spectral data using principal component analysis (PCA) and self-modelling curve resolution (SMCR) allowed us to achieve high resolution phase distribution maps along with separation of average and localized spectral components. A significant effect of the magnetic field on the Raman spectra of the BaTiO3 phase has been revealed. The observed changes are comparable with the classical pressure dependent studies on BaTiO3, confirming the strain mediated character of the magnetoelectric coupling in the studied composites.

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

    Science.gov (United States)

    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).

  16. Strain effects on multiferroic heterointerface La0.5Sr0.5MnO3/BaTiO3 by DFT calculations

    Science.gov (United States)

    Trang Nguyen, Thuy; Cong Bach, Thanh

    2018-03-01

    L{{a}1-x}S{{r}x}Mn{{O}3}/BaTi{{O}3} based multi-ferroic tunnelling junction structures promise practical on/off resistance ratio for low-field switching 4-state non-volatile memory. This work aims at investigating the nature of magnetoelectric coupling on L{{a}1-x}S{{r}x}Mn{{O}3}/BaTi{{O}3} interface in the framework of density functional theory. Our results suggest that owing to electrostatic screening effect, electric polarization of BaTi{{O}3} layer can act as the intermediary to electrically modulate not only the magnitude but also the order of local magnetic moment in L{{a}1-x}S{{r}x}Mn{{O}3} layer. Moreover, it is demonstrated that both lateral and perpendicular strains are of particular importance to modify this kind of magnetoelectric coupling. The magnetic ordering is electrically tunable only with the application of suitable strain.

  17. Biocompatibility and osteogenesis of the castor bean polymer doped with silica (SiO2) or barium titanate (BaTiO3) nanoparticles.

    Science.gov (United States)

    Nacer, Renato Silva; Silva, Baldomero Antonio Kato da; Poppi, Rodrigo Ré; Silva, Dheywid Karlos Mattos; Cardoso, Vinicius Saura; Delben, José Renato Jurkevicz; Delben, Angela Antonia Sanches Tardivo

    2015-04-01

    To evaluate the biocompatibility and osteogenesis of castor oil polymer doped with SiO2 or BaTiO3 nanoparticles. Twenty four male rats Wistar were submitted to bone defect filled with castor oil polymer. The animals were distributed in two experimental groups had been formed with 12 animals each: Group 1 - Castor oil polymer doped with 0.30 grams of SiO2 replacing 0.30 grams of CaCO3. Group 2 - Castor oil polymer doped with 0.30 grams of BaTiO3 replacing 0.30 grams of CaCO3. Euthanasia occurred 30 and 60 days after surgery and the femurs were sent to histological analysis and MEV. The implants were biocompatible and allowed for progressive osteogenesis through osteoconduction in both observation periods. There was significant bone neoformation at 30 and 60 days in both groups within the histomorphometric evaluation, but group 1's osteogenesis was lesser in the 30 and 60-day periods observed when compared to the animals of group 2. The MEV morphometric evaluation evidenced a lesser percentage of osseous tissue filling within the BaTiO2-doped polymer. The castor oil polymer doped with SiO2 or BaTiO3 remained biocompatible and allowed for progressive osteogenesis in both observation periods.

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

    Science.gov (United States)

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

    2018-01-01

    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 BaTiO3 layers between La0.67Sr0.33MnO3 layers effectively enhances ferromagnetic order and increases the Curie temperature of La0.67Sr0.33MnO3/BaTiO3 superlattices. The preferential orbital occupancy of eg( x 2 -y 2 ) in La0.67Sr0.33MnO3 layers induced by the tensile strain of BaTiO3 layers is identified by X-ray linear dichroism measurements. Our results reveal that controlling orbital ordering can effectively improve the Curie temperature of La0.67Sr0.33MnO3 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.

  19. Hydrothermal synthesis and properties of NiFe2O4@BaTiO3 composites with well-matched interface

    Science.gov (United States)

    Zhou, Jian-Ping; Lv, Li; Liu, Qian; Zhang, Yu-Xiang; Liu, Peng

    2012-08-01

    NiFe2O4@BaTiO3 multiferroic composite particles were produced by a simple hydrothermal method in two steps: preparing NiFe2O4 nanoparticles and then synthesizing core-shell nanocomposites. Multiferroic composite ceramics were sintered from these powders. X-ray diffraction, Raman scattering and energy dispersive x-ray analyses indicated that the core-shell composites with a NiFe2O4 core and BaTiO3 shell were formed in the hydrothermal environment. Different types of sharp interfaces were self-assembled owing to the minimization of direct elastic energy. The saturation magnetization of the composites linearly increased with the NiFe2O4 content while the dielectric constant decreased. A dielectric peak appeared at around 460 °C because of the oxygen vacancies in the BaTiO3 ceramics. It resulted in an enhancement of magnetic permeability in the composites, indicating magnetoelectric coupling that was also observed by direct magnetoelectric measurements.

  20. Superfast domain walls in KTP single crystals

    Science.gov (United States)

    Shur, V. Ya.; Esin, A. A.; Alam, M. A.; Akhmatkhanov, A. R.

    2017-10-01

    Potassium titanyl phosphate KTiOPO4 (KTP) crystals with periodical ferroelectric domain structures are one of the most promising materials for nonlinear optics, in which the main types of nonlinear optical interactions have been demonstrated. Despite the crucial importance of the in situ visualization of domain structure kinetics for creation of high quality periodical domain gratings, there are only a few works concerning KTP. We present the results of in situ visualization of domain kinetics in KTP with the time resolution down to 12.5 μs and simultaneous recording of the switching current data. The wide range of wall velocities with two orders of magnitude difference was observed for switching in a uniform electric field. The kinetic maps allowed analyzing the spatial distribution of wall motion velocities and classifying the walls by velocity ranges. The distinguished slow, fast, and superfast types of domain walls differed by their orientation. It was shown that the fast and slow domain walls provided the smooth input to the switching current, whereas the short-lived superfast walls resulted in short current peaks. The mobility and the threshold fields for all types of domain walls were estimated. The revealed increase in the wall velocity with deviation from low-index crystallographic planes for slow and fast walls was considered in terms of determined step generation and anisotropic kink motion. The obtained results are important for further development of domain engineering in KTP required for creation of high power, reliable, and effective coherent light sources.

  1. Regularities of recrystallization in rolled Zr single crystals

    International Nuclear Information System (INIS)

    Isaenkova, M; Perlovich, Yu; Fesenko, V; Krymskaya, O; Krapivka, N; Thu, S S

    2015-01-01

    Experiments by rolled single crystals give a more visible conception of the operating mechanisms of plastic deformation and the following recrystallization, than experiments by polycrystals. Studies by usage of X-ray diffraction methods were conducted by Zr single crystals. It was revealed, that regions of the α-Zr matrix, deformed mainly by twinning, are characterized with decreased tendency to recrystallization. Orientations of recrystallized α-Zr grains correspond to “slopes” of maxima in the rolling texture, where the level of crystalline lattice distortion is maximal and the number of recrystallization nuclei is most of all. (paper)

  2. Charge transient spectroscopy of C 60 single crystals

    Science.gov (United States)

    Baranc̆ok, D.; Halus̆ka, M.; Kuzmany, H.; Nádaz̆dy, V.

    1994-01-01

    Suitability of the charge transient spectroscopy — QTS for the investigation of fullerites is demonstrated. QTS can yield an information on the electrical properties of both the bulk and the interface of fullerites interfaced with metals (insulators, semiconductors) as well as on its bulk phase transition. Our measurements were carried out on C60 single crystals. We observed a single QTS peak which reflects most probably a thermally activated relaxation process (polarization or trap - limited charge emission) in the crystal. The expected phase transition was detected as a step of QTS signal at 255 K. The influence of a thermal treatment in air on the QTS peak was also observed.

  3. Preparation of single-crystal copper ferrite nanorods and nanodisks

    International Nuclear Information System (INIS)

    Du Jimin; Liu Zhimin; Wu Weize; Li Zhonghao; Han Buxing; Huang Ying

    2005-01-01

    This article, for the first time, reports the preparation of single-crystal copper ferrite nanorods and nanodisks. Using amorphous copper ferrite nanoparticles synthesized by reverse micelle as reaction precursor, single-crystal copper ferrite nanorods were synthesized via hydrothermal method in the presence of surfactant polyethylene glycol (PEG), however, copper ferrite nanodisks were prepared through the same procedures except the surfactant PEG. The resulting nanomaterials have been characterized by powder X-ray diffraction (XRD), selected electron area diffraction (SEAD), and transmission electron microscopy (TEM). The bulk composition of the samples was determined by means of X-ray photoelectron spectroscopy (XPS)

  4. Studies on growth, crystal structure and characterization of novel organic nicotinium trifluoroacetate single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Dhanaraj, P.V. [Centre for Crystal Growth, SSN College of Engineering, Kalavakkam 603 110 (India); Rajesh, N.P., E-mail: rajeshnp@hotmail.com [Centre for Crystal Growth, SSN College of Engineering, Kalavakkam 603 110 (India); Sundar, J. Kalyana; Natarajan, S. [Department of Physics, Madurai Kamaraj University, Madurai 625 021 (India); Vinitha, G. [Department of Physics, Crescent Engineering College, Chennai 600 048 (India)

    2011-09-15

    Highlights: {yields} Good quality crystals of nicotinium trifluoroacetate in monoclinic system were grown for first time. {yields} Nicotinium trifluoroacetate crystal exhibits third order nonlinear optical properties. {yields} The optical spectrum of nicotinium trifluoroacetate crystal reveals the wide transmission in the entire range with cutoff wavelength at 286 nm. {yields} Nicotinium trifluoroacetate is a low dielectric constant material. - Abstract: An organic material, nicotinium trifluoroacetate (NTF) was synthesized and single crystals in monoclinic system were grown from aqueous solution for the first time. Its solubility and metastable zone width were estimated. The crystal structure of NTF was analyzed to reveal the molecular arrangements and the formation of hydrogen bonds in the crystal. High-resolution X-ray diffraction rocking curve measurements were performed to analyze the structural perfection of the grown crystals. Functional groups in NTF were identified by Fourier transform infrared spectral analysis. Thermal behaviour and stability of NTF were studied by thermogravimetric and differential thermal analysis and differential scanning calorimetry. Mechanical and dielectric properties of NTF crystals were analyzed. Optical studies reveal that NTF crystals are transparent in the wavelength range 286-1100 nm. The third order nonlinear optical parameters of NTF were derived by the Z-scan technique.

  5. Stacking fault tetrahedron induced plasticity in copper single crystal

    International Nuclear Information System (INIS)

    Zhang, Liang; Lu, Cheng; Tieu, Kiet; Su, Lihong; Zhao, Xing; Pei, Linqing

    2017-01-01

    Stacking fault tetrahedron (SFT) is the most common type of vacancy clustered defects in fcc metals and alloys, and can play an important role in the mechanical properties of metallic materials. In this study, molecular dynamics (MD) simulations were carried out to investigate the incipience of plasticity and the underlying atomic mechanisms in copper single crystals with SFT. Different deformation mechanisms of SFT were reported due to the crystal orientations and loading directions (compression and tension). The results showed that the incipient plasticity in crystals with SFT resulted from the heterogeneous dislocation nucleation from SFT, so the stress required for plastic deformation was less than that needed for perfect single crystals. Three crystal orientations ([1 0 0], [1 1 0] and [1 1 1]) were specified in this study because they can represent most of the typical deformation mechanisms of SFT. MD simulations revealed that the structural transformation of SFT was frequent under the applied loading; a metastable SFT structure and the collapse of SFT were usually observed. The structural transformation resulted in a different reduction of yield stress in compression and tension, and also caused a decreased or reversed compression/tension asymmetry. Compressive stress can result in the unfaulting of Frank loop in some crystal orientations. According to the elastic theory of dislocation, the process of unfaulting was closely related to the size of the dislocation loop and the stacking fault energy.

  6. Roflumilast - A reversible single-crystal to single-crystal phase transition at 50 °C

    Science.gov (United States)

    Viertelhaus, Martin; Holst, Hans Christof; Volz, Jürgen; Hummel, Rolf-Peter

    2013-01-01

    Roflumilast is a selective phosphodiesterase type 4 inhibitor and is marketed under the brand names Daxas®, Daliresp® and Libertec®. A phase transition of the drug substance roflumilast was observed at 50 °C. The low temperature form, the high temperature form and the phase transition were characterised by differential scanning calorimetry, variable temperature powder X-ray diffraction and single crystal X-ray diffraction, Raman spectroscopy and solid state NMR spectroscopy. The phase transition of roflumilast at 50 °C is completely reversible, the high temperature form cannot be stabilised by quench cooling and the phase transition does not influence the quality of the active pharmaceutical ingredient (API) and the drug product. It was observed to be a single crystal to single crystal phase transition.

  7. Crystal growth, spectral and laser properties of Nd:LSAT single crystal

    Science.gov (United States)

    Hu, P. C.; Yin, J. G.; Zhao, C. C.; Gong, J.; He, X. M.; Zhang, L. H.; Liang, X. Y.; Hang, Y.

    2011-10-01

    Nd:(La, Sr)(Al, Ta)O3 (Nd:LSAT) crystal was grown by the Czochralski method. The absorption and fluorescence spectra of Nd:LSAT crystal at room temperature were investigated. With a fiber-coupled diode laser as pump source, the continuous-wave (CW) laser action of Nd:LSAT crystal was demonstrated. The result of diode-pumped laser operation of Nd:LSAT crystal single crystal is reported for what is to our knowledge the first time. The maximum output power at 1064 nm was obtained to be 165 mW under the incident pump power of 3 W, with the slope efficiency 10.9%.

  8. Enhancement of polarization property of silane-modified BaTiO3 nanoparticles and its effect in increasing dielectric property of epoxy/BaTiO3 nanocomposites

    Directory of Open Access Journals (Sweden)

    Thi Tuyet Mai Phan

    2016-03-01

    Full Text Available The surface modification of synthesized nano-BaTiO3 particles was carried out using γ-aminopropyl trimethoxy silane (γ-APS in an ethanol/water solution. The modified particles were characterized by FTIR, TGA, surface charge analysis, and by dielectric constant measurement. The silane molecules were attached to the surface of BaTiO3 particles through SiOBaTiO3 bonds. The γ-APS grafted on BaTiO3 made the dielectric constant of the particles increase at frequencies ≥0.3 kHz in a wide range of temperature (25 °C–140 °C, due to the presence of NH2 groups. The dependence of the polarization vs. electrical field was measured in order to elucidate the dielectric behavior of the silane treated BaTiO3 in comparison to untreated BaTiO3. The nanocomposite based on epoxy resin containing BaTiO3 nanoparticles untreated and treated with γ-APS was also prepared and characterized. The results indicated that the γ-APS-modified BaTiO3 surfaces significantly enhanced the dielectric property of the nanocomposite.

  9. Ordered macro-microporous metal-organic framework single crystals

    Science.gov (United States)

    Shen, Kui; Zhang, Lei; Chen, Xiaodong; Liu, Lingmei; Zhang, Daliang; Han, Yu; Chen, Junying; Long, Jilan; Luque, Rafael; Li, Yingwei; Chen, Banglin

    2018-01-01

    We constructed highly oriented and ordered macropores within metal-organic framework (MOF) single crystals, opening up the area of three-dimensional–ordered macro-microporous materials (that is, materials containing both macro- and micropores) in single-crystalline form. Our methodology relies on the strong shaping effects of a polystyrene nanosphere monolith template and a double-solvent–induced heterogeneous nucleation approach. This process synergistically enabled the in situ growth of MOFs within ordered voids, rendering a single crystal with oriented and ordered macro-microporous structure. The improved mass diffusion properties of such hierarchical frameworks, together with their robust single-crystalline nature, endow them with superior catalytic activity and recyclability for bulky-molecule reactions, as compared with conventional, polycrystalline hollow, and disordered macroporous ZIF-8.

  10. Ordered macro-microporous metal-organic framework single crystals

    KAUST Repository

    Shen, Kui

    2018-01-16

    We constructed highly oriented and ordered macropores within metal-organic framework (MOF) single crystals, opening up the area of three-dimensional-ordered macro-microporous materials (that is, materials containing both macro- and micropores) in single-crystalline form. Our methodology relies on the strong shaping effects of a polystyrene nanosphere monolith template and a double-solvent-induced heterogeneous nucleation approach. This process synergistically enabled the in situ growth of MOFs within ordered voids, rendering a single crystal with oriented and ordered macro-microporous structure. The improved mass diffusion properties of such hierarchical frameworks, together with their robust single-crystalline nature, endow them with superior catalytic activity and recyclability for bulky-molecule reactions, as compared with conventional, polycrystalline hollow, and disordered macroporous ZIF-8.

  11. Monitoring Lidocaine Single-Crystal Dissolution by Ultraviolet Imaging

    DEFF Research Database (Denmark)

    Ostergaard, Jesper; Ye, Fengbin; Rantanen, Jukka

    2011-01-01

    ) imaging for conducting single‐crystal dissolution studies was performed. Using lidocaine as a model compound, the aim was to develop a setup capable of monitoring and quantifying the dissolution of lidocaine into a phosphate buffer, pH 7.4, under stagnant conditions. A single crystal of lidocaine...... was placed in the quartz dissolution cell and UV imaging was performed at 254 nm. Spatially and temporally resolved mapping of lidocaine concentration during the dissolution process was achieved from the recorded images. UV imaging facilitated the monitoring of lidocaine concentrations in the dissolution...... media adjacent to the single crystals. The concentration maps revealed the effects of natural convection due to density gradients on the dissolution process of lidocaine. UV imaging has great potential for in vitro drug dissolution testing...

  12. Extrinsic doping of CuGaSe2 single crystals

    Science.gov (United States)

    Schön, J. H.

    2000-02-01

    Technological applications of semiconductors depend critically on the ability to dope them. Single crystals of CuGaSe2 were doped during crystal growth either by a post-growth diffusion step or by ion-implantation, in order to study the limits of extrinsic doping. The electrical and optical properties of the doped samples are analysed by Hall effect and photoluminescence (PL) measurements. The carrier concentration at room temperature can be adjusted between 2 × 1019 cm-3 (p-type) and 1017 cm-3 (n-type). Various donor and acceptor levels are identified and ascribed to dopant-induced point defects taking into account the dopant concentration and/or the post-growth treatment of the single crystals.

  13. Single Crystals of Organolead Halide Perovskites: Growth, Characterization, and Applications

    KAUST Repository

    Peng, Wei

    2017-04-01

    With the soaring advancement of organolead halide perovskite solar cells rising from a power conversion efficiency of merely 3% to more than 22% shortly in five years, researchers’ interests on this big material family have been greatly spurred. So far, both in-depth studies on the fundamental properties of organolead halide perovskites and their extended applications such as photodetectors, light emitting diodes, and lasing have been intensively reported. The great successes have been ascribed to various superior properties of organolead halide hybrid perovskites such as long carrier lifetimes, high carrier mobility, and solution-processable high quality thin films, as will be discussed in Chapter 1. Notably, most of these studies have been limited to their polycrystalline thin films. Single crystals, as a counter form of polycrystals, have no grain boundaries and higher crystallinity, and thus less defects. These characteristics gift single crystals with superior optical, electrical, and mechanical properties, which will be discussed in Chapter 2. For example, organolead halide perovskite single crystals have been reported with much longer carrier lifetimes and higher carrier mobilities, which are especially intriguing for optoelectronic applications. Besides their superior optoelectronic properties, organolead halide perovskites have shown large composition versatility, especially their organic components, which can be controlled to effectively adjust their crystal structures and further fundamental properties. Single crystals are an ideal platform for such composition-structure-property study since a uniform structure with homogeneous compositions and without distraction from grain boundaries as well as excess defects can provide unambiguously information of material properties. As a major part of work of this dissertation, explorative work on the composition-structure-property study of organic-cation-alloyed organolead halide perovskites using their single

  14. Single crystal growth, crystal structure and characterization of a novel crystal: L-arginine 4-nitrophenolate 4-nitrophenol dehydrate (LAPP)

    Science.gov (United States)

    Wang, L. N.; Wang, X. Q.; Zhang, G. H.; Liu, X. T.; Sun, Z. H.; Sun, G. H.; Wang, L.; Yu, W. T.; Xu, D.

    2011-07-01

    A novel organic crystal, L-arginine 4-nitrophenolate 4-nitrophenol dehydrate (LAPP), synthesized and grown from aqueous solution, is presented. X-ray single diffraction shows that LAPP belongs to the monoclinic crystallographic system with space group P2 1. FT-IR and UV/vis/NIR transmission spectra have been employed to characterize the crystal. The computational calculation based on the density functional theory at the B3LYP/6-31G (d, p) level has been used to compute the first-order hyperpolarizability of LAPP relating to different molecular models. The morphology, nonlinear characteristic and thermal stability of the crystal have also been investigated.

  15. Corelli: Efficient single crystal diffraction with elastic discrimination

    Indian Academy of Sciences (India)

    Here, we discuss the potential of the cross-correlation technique for efficient measurement of single crystal diffuse scattering with energy discrimination, as will be implemented in a novel instrument, Corelli. Utilizing full experiment simulations, we show that this technique readily leads up to a fifty-fold gain in efficiency, ...

  16. Some Debye temperatures from single-crystal elastic constant data

    Science.gov (United States)

    Robie, R.A.; Edwards, J.L.

    1966-01-01

    The mean velocity of sound has been calculated for 14 crystalline solids by using the best recent values of their single-crystal elastic stiffness constants. These mean sound velocities have been used to obtain the elastic Debye temperatures ??De for these materials. Models of the three wave velocity surfaces for calcite are illustrated. ?? 1966 The American Institute of Physics.

  17. Single crystal neutron diffraction study of triglycine sulphate revisited

    Indian Academy of Sciences (India)

    Abstract. In order to get the exact hydrogen-bonding scheme in triglycine sulphate. (TGS), which is an important hydrogen bonded ferroelectric, a single crystal neutron diffraction study was undertaken. The structure was refined to an R-factor of R[F2] = 0.034. Earlier neutron structure of TGS was reported with a very limited ...

  18. Organic field-effect transistors using single crystals.

    Science.gov (United States)

    Hasegawa, Tatsuo; Takeya, Jun

    2009-04-01

    Organic field-effect transistors using small-molecule organic single crystals are developed to investigate fundamental aspects of organic thin-film transistors that have been widely studied for possible future markets for 'plastic electronics'. In reviewing the physics and chemistry of single-crystal organic field-effect transistors (SC-OFETs), the nature of intrinsic charge dynamics is elucidated for the carriers induced at the single crystal surfaces of molecular semiconductors. Materials for SC-OFETs are first reviewed with descriptions of the fabrication methods and the field-effect characteristics. In particular, a benchmark carrier mobility of 20-40 cm 2 Vs -1 , achieved with thin platelets of rubrene single crystals, demonstrates the significance of the SC-OFETs and clarifies material limitations for organic devices. In the latter part of this review, we discuss the physics of microscopic charge transport by using SC-OFETs at metal/semiconductor contacts and along semiconductor/insulator interfaces. Most importantly, Hall effect and electron spin resonance (ESR) measurements reveal that interface charge transport in molecular semiconductors is properly described in terms of band transport and localization by charge traps.

  19. Organic field-effect transistors using single crystals

    Directory of Open Access Journals (Sweden)

    Tatsuo Hasegawa and Jun Takeya

    2009-01-01

    Full Text Available Organic field-effect transistors using small-molecule organic single crystals are developed to investigate fundamental aspects of organic thin-film transistors that have been widely studied for possible future markets for 'plastic electronics'. In reviewing the physics and chemistry of single-crystal organic field-effect transistors (SC-OFETs, the nature of intrinsic charge dynamics is elucidated for the carriers induced at the single crystal surfaces of molecular semiconductors. Materials for SC-OFETs are first reviewed with descriptions of the fabrication methods and the field-effect characteristics. In particular, a benchmark carrier mobility of 20–40 cm2 Vs−1, achieved with thin platelets of rubrene single crystals, demonstrates the significance of the SC-OFETs and clarifies material limitations for organic devices. In the latter part of this review, we discuss the physics of microscopic charge transport by using SC-OFETs at metal/semiconductor contacts and along semiconductor/insulator interfaces. Most importantly, Hall effect and electron spin resonance (ESR measurements reveal that interface charge transport in molecular semiconductors is properly described in terms of band transport and localization by charge traps.

  20. Single crystal ternary oxide ferroelectric integration with Silicon

    Science.gov (United States)

    Bakaul, Saidur; Serrao, Claudy; Youun, Long; Khan, Asif; Salahuddin, Sayeef

    2015-03-01

    Integrating single crystal, ternary oxide ferroelectric thin film with Silicon or other arbitrary substrates has been a holy grail for the researchers since the inception of microelectronics industry. The key motivation is that adding ferroelectric materials to existing electronic devices could bring into new functionality, physics and performance improvement such as non-volatility of information, negative capacitance effect and lowering sub-threshold swing of field effect transistor (FET) below 60 mV/decade in FET [Salahuddin, S, Datta, S. Nano Lett. 8, 405(2008)]. However, fabrication of single crystal ferroelectric thin film demands stringent conditions such as lattice matched single crystal substrate and high processing temperature which are incompatible with Silicon. Here we report on successful integration of PbZr0.2Ti0.8O3 in single crystal form with by using a layer transfer method. The lattice structure, surface morphology, piezoelectric coefficient d33, dielectric constant, ferroelectric domain switching and spontaneous and remnant polarization of the transferred PZT are as good as these characteristics of the best PZT films grown by pulsed laser deposition on lattice matched oxide substrates. We also demonstrate Si based, FE gate controlled FET devices.

  1. Microhardness studies on nonlinear optical L-alanine single crystals

    Indian Academy of Sciences (India)

    Sci., Vol. 36, No. 3, June 2013, pp. 471–474. c Indian Academy of Sciences. Microhardness studies on nonlinear optical L-alanine single crystals. R HANUMANTHARAO† and S KALAINATHAN‡,∗ ... ter to the area of the impression left on the specimen. Both ... where P is the applied load in kg, d is in mm and Hv is in kg mm.

  2. Magnetic structure of URhSi single crystal

    Czech Academy of Sciences Publication Activity Database

    Prokeš, K.; Andreev, Alexander V.; Honda, F.; Sechovský, V.

    2003-01-01

    Roč. 261, - (2003), s. 131-138 ISSN 0304-8853 R&D Projects: GA ČR GA202/02/0739 Institutional research plan: CEZ:AV0Z1010914 Keywords : URhSi single crystal * magnetization * neutron diffraction * magnetic structure determination Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.910, year: 2003

  3. Bulk study of a DyNiAl single crystal

    Czech Academy of Sciences Publication Activity Database

    Prchal, J.; Andreev, Alexander V.; Javorský, P.; Honda, F.; Jurek, Karel

    272-276, - (2004), e419-e420 ISSN 0304-8853 R&D Projects: GA ČR GA106/02/0943 Keywords : rare-earth * DyNiAl * magnetic anisotropy * single crystal Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.031, year: 2004

  4. Area detectors in single-crystal neutron diffraction

    Science.gov (United States)

    McIntyre, Garry J.

    2015-12-01

    The introduction of area detectors has brought about a gentle revolution in the routine application of single-crystal neutron diffractometry. Implemented first for macromolecular crystallography, electronic detectors subsequently gradually spread to chemical and physics-oriented crystallography at steady-state sources. The volumetric surveying of reciprocal space implicit in the Laue technique has required area detectors right from the start, whether using film and more recently image plates and CCD-based detectors at reactors, or scintillation detectors at spallation sources. Wide-angle volumetric data collection has extended application of neutron single-crystal diffractometry to chemical structures, sample volumes, and physical phenomena previously deemed impossible. More than 30 of the dedicated single-crystal neutron diffractometers at steady-state reactor and neutron spallation sources worldwide and accessible via peer-review proposal mechanisms are currently equipped with area detectors. Here we review the historical development of the various types of area detectors used for single crystals, discuss experimental aspects peculiar to experiments with such detectors, highlight the scientific fields where the use of area detectors has had a special impact, and forecast future developments in hardware, implementation, and software.

  5. Area detectors in single-crystal neutron diffraction

    International Nuclear Information System (INIS)

    McIntyre, Garry J

    2015-01-01

    The introduction of area detectors has brought about a gentle revolution in the routine application of single-crystal neutron diffractometry. Implemented first for macromolecular crystallography, electronic detectors subsequently gradually spread to chemical and physics-oriented crystallography at steady-state sources. The volumetric surveying of reciprocal space implicit in the Laue technique has required area detectors right from the start, whether using film and more recently image plates and CCD-based detectors at reactors, or scintillation detectors at spallation sources. Wide-angle volumetric data collection has extended application of neutron single-crystal diffractometry to chemical structures, sample volumes, and physical phenomena previously deemed impossible. More than 30 of the dedicated single-crystal neutron diffractometers at steady-state reactor and neutron spallation sources worldwide and accessible via peer-review proposal mechanisms are currently equipped with area detectors. Here we review the historical development of the various types of area detectors used for single crystals, discuss experimental aspects peculiar to experiments with such detectors, highlight the scientific fields where the use of area detectors has had a special impact, and forecast future developments in hardware, implementation, and software. (review)

  6. Effect of pressure on electrical resistance of WSe single crystal

    Indian Academy of Sciences (India)

    Abstract. The results of electrical resistance measurements under pressure on single crystals of. WSe2 are reported. Measurements up to 8.5 GPa are carried out using Bridgman anvil set up and beyond it using diamond anvil cell (DAC) up to a pressure of 27 GPa. There is no clear indication of any phase transition till the ...

  7. Lattice effects in HoVo(3) single crystal

    NARCIS (Netherlands)

    Sikora, M.; Marquina, C.; Ibarra, M. R.; Nugroho, A. A.; Palstra, T. T. M.

    We report the study of lattice effects in the Mott insulator HoVO3 performed by means of linear thermal expansion on a single crystal in the temperature range 10-290 K. The holmium orthovanadate HoVO3 reveals gradual orbital ordering (OO) below T-OO = 200K and orders antiferromagnetically at T-N =

  8. Lattice location of helium in uranium dioxide single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Garrido, F.; Nowicki, L. E-mail: lech.nowicki@fuw.edu.pl; Sattonnay, G.; Sauvage, T.; Thome, L

    2004-06-01

    Lattice location of {sup 3}He atoms implanted into UO{sub 2} single crystals was performed by means of the channeling technique combined with nuclear reaction analysis (NRA) and Rutherford backscattering spectrometry (RBS). The {sup 3}He(d,p){sup 4}He reaction was used. The experimental angular scans show that helium atoms occupy octahedral interstitial positions.

  9. METHOD FOR MANUFACTURING A SINGLE CRYSTAL NANO-WIRE.

    NARCIS (Netherlands)

    Van Den Berg, Albert; Bomer, Johan; Carlen Edwin, Thomas; Chen, Songyue; Kraaijenhagen Roderik, Adriaan; Pinedo Herbert, Michael

    2011-01-01

    A method for manufacturing a single crystal nano-structure is provided comprising the steps of providing a device layer with a 100 structure on a substrate; providing a stress layer onto the device layer; patterning the stress layer along the 110 direction of the device layer; selectively removing

  10. METHOD FOR MANUFACTURING A SINGLE CRYSTAL NANO-WIRE

    NARCIS (Netherlands)

    Van Den Berg, Albert; Bomer, Johan; Carlen Edwin, Thomas; Chen, Songyue; Kraaijenhagen Roderik, Adriaan; Pinedo Herbert, Michael

    2012-01-01

    A method for manufacturing a single crystal nano-structure includes providing a device layer with a 100 structure on a substrate; providing a stress layer onto the device layer; patterning the stress layer along the 110 direction of the device layer; selectively removing parts of the stress layer to

  11. Double minimum creep of single crystal Ni-base superalloys

    Czech Academy of Sciences Publication Activity Database

    WU, X.; Wollgramm, P.; Somsen, C.; Dlouhý, Antonín; Kostka, A.; Eggeler, G.

    2016-01-01

    Roč. 112, JUN (2016), s. 242-260 ISSN 1359-6454 R&D Projects: GA ČR(CZ) GA14-22834S Institutional support: RVO:68081723 Keywords : Single crystal Ni-base superalloys * Primary creep * Transmission electron microscopy * Dislocations * Stacking fault s Subject RIV: JG - Metallurgy Impact factor: 5.301, year: 2016

  12. Growth features of ammonium hydrogen d-tartrate single crystals

    Indian Academy of Sciences (India)

    Unknown

    Most of the tartrate compounds are insoluble in water and decompose before melting. Hence, single crystals of such type cannot be grown either by slow evaporation or by melt technique, but can be grown easily by gel method. Gel method is an alternative method to solution growth with controlled diffusion and the growth ...

  13. Electronic Transport Properties of Single Crystal THALLIUM-2201 Superconductors

    Science.gov (United States)

    Yandrofski, Robert Michael

    1992-11-01

    Four-probe resistance measurements on single crystals of the calcium-free thallium-based superconducting rm Tl_2Ba_2CuO_{6+delta } phase (Tl-2201) were performed in magnetic fields up to 12 Telsa. Single crystals of sizes approaching 5mm x 1mm x.2mm were grown by a self-flux technique and were characterized by single crystal X-ray diffraction and X-ray Dispersive Analysis. Field measurements were taken both at dc and at low frequencies using a lock-in technique. Techniques were developed to oxygen-anneal the as-grown single crystals to generate single crystal samples of the same Tl-2201 phase with varying transition temperature T_{rm c}. Resistivity measurements indicate a gradual cross-over from linear temperature-dependent resistivity at high T_ {rm c} (i.e., low oxygen doping), to a predominantly quadratic temperature dependent resistivity at low T_{rm c} (i.e., high oxygen doping). These results are correlated with theories describing the gradual change in the nature of charge carrier scattering as the system is over-doped with holes. Four-probe resistivity measurements indicate that severe anisotropies in the resistivity profiles exist at all oxygen concentrations, with the out-of-plane resistivity measuring two to three orders of magnitude higher than the in-plane resistivity. Magnetic field results indicate the presence of an irreversibility transition, with a signature for a Kosterlitz-Thouless (or "melting") transition in the vortex lattice at low fields occuring in samples with the lower T_{rm c}. Such data suggest a quasi-two-dimensional behavior in this system. Measurements of the fluctuation conductivity also suggest a quasi-two -dimensional fluctuation regime. Experimental results are discussed within the framework of Fermi liquid theory.

  14. Single-crystal metal growth on amorphous insulating substrates.

    Science.gov (United States)

    Zhang, Kai; Pitner, Xue Bai; Yang, Rui; Nix, William D; Plummer, James D; Fan, Jonathan A

    2018-01-23

    Metal structures on insulators are essential components in advanced electronic and nanooptical systems. Their electronic and optical properties are closely tied to their crystal quality, due to the strong dependence of carrier transport and band structure on defects and grain boundaries. Here we report a method for creating patterned single-crystal metal microstructures on amorphous insulating substrates, using liquid phase epitaxy. In this process, the patterned metal microstructures are encapsulated in an insulating crucible, together with a small seed of a differing material. The system is heated to temperatures above the metal melting point, followed by cooling and metal crystallization. During the heating process, the metal and seed form a high-melting-point solid solution, which directs liquid epitaxial metal growth. High yield of single-crystal metal with different sizes is confirmed with electron backscatter diffraction images, after removing the insulating crucible. Unexpectedly, the metal microstructures crystallize with the [Formula: see text] direction normal to the plane of the film. This platform technology will enable the large-scale integration of high-performance plasmonic and electronic nanosystems.

  15. Effect of zinc acetate addition on crystal growth, structural, optical, thermal properties of glycine single crystals

    Directory of Open Access Journals (Sweden)

    S. Anbu Chudar Azhagan

    2017-05-01

    Full Text Available In the present study, γ-glycine has been crystallized by using zinc acetate dihydrate as an additive for the first time by slow solvent evaporation method. The second harmonic conversion efficiency of γ-glycine crystal was determined using Kurtz and Perry powder technique and was found to be 3.66 times greater than that of standard inorganic material potassium dihydrogen phosphate (KDP. The analytical grade chemicals of glycine and zinc acetate dihydrate were taken in six different molar ratios: 1:0.2, 1:0.4, 1:0.6, 1:0.7, 1:0.8, and 1:0.9 respectively to find out the γ-polymorph of glycine. The lower molar concentration of zinc acetate yield only α-polymorph where as the higher molar concentration of zinc acetate inhibits the γ-polymorph of glycine which was confirmed by single crystal XRD and powder XRD studies. Inductively coupled plasma optical emission spectrometry (ICP-OES was carried out to quantify the concentration of zinc element in the grown glycine single crystals. The concentration of zinc element in the presence of grown γ-glycine single crystal is found to be 0.73 ppm. UV–Visible–NIR transmittance spectra were recorded for the samples to analyse the transparency in visible and near infrared region (NIR. The optical band gap Eg was estimated for γ-glycine single crystal using UV–Visible–NIR study. Functional groups present in the samples were identified by FTIR spectroscopic analysis. Differential scanning calorimetry technique was employed to determine the phase transition, thermal stability and melting point of the grown crystal.

  16. The growth of single crystals of Ni-W alloy under conditions of high temperature gradient

    International Nuclear Information System (INIS)

    Azhazha, V.M.; Gorbenko, Yu.V.; Kovtun, G.P.; Ladygin, A.N.; Malykhin, D.G.; Rudycheva, T.Yu.; Sverdlov, V.Ya.; Shcherban', A.P.; Zhemanyuk, P.D.; Klochikhin, V.V.

    2004-01-01

    The structure of single crystals of the NV-4 nickel alloy containing 32-36 wt % W is investigated. The temperature gradient at the crystallization front and the velocity of the crystallization front are the variable parameters of directional crystallization. The degrees of structural perfection of the single crystals grown under different conditions are compared. The crystallization parameters providing growth of single crystals that have high structural perfection and can be successfully used as seeds for the growth of single-crystal blades are determined. Typical defects formed upon directional crystallization of single crystals of the Ni-W (35 wt %) alloy are examined. The studied defects are classified, and the factors responsible for the disturbance of the single-crystal structure are analyzed

  17. Twinning processes in Cu-Al-Ni martensite single crystals investigated by neutron single crystal diffraction method

    Czech Academy of Sciences Publication Activity Database

    Molnar, P.; Šittner, P.; Novák, V.; Lukáš, Petr

    2008-01-01

    Roč. 481, Sp.Iss.SI (2008), s. 513-517 ISSN 0921-5093 R&D Projects: GA AV ČR IAA100480704 Institutional research plan: CEZ:AV0Z10480505 Keywords : Cu-Al-Ni * single crystals * neutron diffraction Subject RIV: BG - Nuclear, Atomic and Molecular Physics, Colliders Impact factor: 1.806, year: 2008

  18. Thermal and electrical transport properties of ? single crystals

    Science.gov (United States)

    Gamal, G. A.; Nassary, M. M.; Nagat, A. T.; Abou-Alwafa, A. M.

    1996-04-01

    Electrical conductivity, Hall effect and thermoelectric power measurements are made for the compound 0268-1242/11/4/009/img2. This compound, which is a semiconductor grown in a single-crystal form, is studied over a wide range of temperature from 150 to 375 K. The crystal is grown by a modification of the Bridgman method. The combination of the electrical and thermal measurements in the present investigation makes it possible to find various physical parameters and to reveal the general behaviour of this semiconductor.

  19. Ferroelectric phase transition in Ga2Te3 single crystals

    Science.gov (United States)

    Gamal, G. A.; Abdalrahman, M. M.; Ashraf, M. I.; Eman, H. J.

    2005-01-01

    Measurements of the electrical conductivity and Hall effect were carried out in a wide temperature range (200-500 K) for Ga2Te3 crystals. The crystals were grown in single crystalline form by making a modification of the travelling heater method technique. The measurements revealed unusual observations in the electric conductivity and Hall mobility indicating the presence of some type of phase transitions at about 430 K. So, ferroelectric behavior was examined for confirming the presence of second-order (ferroelectric) phase transition. An energy gap of 1.21 eV and depth of the impurity center of 0.11 eV were found.

  20. Growth and Characterization of Tl2S Single Crystals

    Science.gov (United States)

    Gamal, G. A.; Zied, M. Abou; Gerges, M. K.; Galal, E. M.

    2003-09-01

    Single crystals of the Tl2S compound were grown for the first time in our laboratory by a new crystal growth technique based on a modification of the traveling heater method technique (THM). This growth was performed in our laboratory. Electrical conductivity, Hall effect and thermoelectric power (TEP) measurements were carried out in the temperature range (200-575 K). Throughout these measurements, various physical parameters such as effective mass of charge carriers, carrier mobility, diffusion length, diffusion coefficient, and the relaxation time for both majority and minority carriers were found. In conjunction with electrical conductivity and charge carrier concentration, thermoelectric power is discussed.

  1. Trapezoidal diffraction grating beam splitters in single crystal diamond

    Science.gov (United States)

    Kiss, Marcell; Graziosi, Teodoro; Quack, Niels

    2018-02-01

    Single Crystal Diamond has been recognized as a prime material for optical components in high power applications due to low absorption and high thermal conductivity. However, diamond microstructuring remains challenging. Here, we report on the fabrication and characterization of optical diffraction gratings exhibiting a symmetric trapezoidal profile etched into a single crystal diamond substrate. The optimized grating geometry diffracts the transmitted optical power into precisely defined proportions, performing as an effective beam splitter. We fabricate our gratings in commercially available single crystal CVD diamond plates (2.6mm x 2.6mm x 0.3mm). Using a sputter deposited hard mask and patterning by contact lithography, the diamond is etched in an inductively coupled oxygen plasma with zero platen power. The etch process effectively reveals the characteristic {111} diamond crystal planes, creating a precisely defined angled (54.7°) profile. SEM and AFM measurements of the fabricated gratings evidence the trapezoidal shape with a pitch of 3.82μm, depth of 170 nm and duty cycle of 35.5%. Optical characterization is performed in transmission using a 650nm laser source perpendicular to the sample. The recorded transmitted optical power as function of detector rotation angle shows a distribution of 21.1% in the 0th order and 23.6% in each +/-1st order (16.1% reflected, 16.6% in higher orders). To our knowledge, this is the first demonstration of diffraction gratings with trapezoidal profile in single crystal diamond. The fabrication process will enable beam splitter gratings of custom defined optical power distribution profiles, while antireflection coatings can increase the efficiency.

  2. Annealing effect of H+ -implanted single crystal silicon on strain and crystal structure

    International Nuclear Information System (INIS)

    Duo Xinzhong; Liu Weili; Zhang Miao; Gao Jianxia; Fu Xiaorong; Lin Chenglu

    2000-01-01

    The work focuses on the rocking curves of H + -implanted single silicon crystal detected by Four-Crystal X-ray diffractometer. The samples were annealed under different temperatures. Lattice defect in H + -implanted silicon crystals was detected by Rutherford Backscattering Spectrometry. It appeared that H-related complex did not crush until annealing temperature reached about 400 degree C. At that temperature H 2 was formed, deflated in silicon lattice and strained the lattice. But defects did not come into being in large quantity. The lattice was undamaged. When annealing temperature reached 500 degree C, strain induced by H 2 deflation crashed the silicon lattice. A large number of defects were formed. At the same time bubbles in the crystal and blister/flaking on the surface could be observed

  3. Twinning structures in near-stoichiometric lithium niobate single crystals

    International Nuclear Information System (INIS)

    Yao, Shuhua; Chen, Yanfeng

    2010-01-01

    A near-stoichiometric lithium niobate single crystal has been grown by the Czochralski method in a hanging double crucible with a continuous powder supply system. Twins were found at one of the three characteristic growth ridges of the as-grown crystal. The twin structure was observed and analyzed by transmission synchrotron topography. The image shifts ΔX and ΔY in the transmission synchrotron topograph were calculated for the 3 anti 2 anti 12 and 0 anti 222 reflections based on results from high-resolution X-ray diffractometry. It is confirmed that one of the {01 anti 1 anti 2} m planes is the composition face of the twin and matrix crystals. The formation mechanism of these twins is discussed. (orig.)

  4. Effect of Crystal Orientation on Fatigue Failure of Single Crystal Nickel Base Turbine Blade Superalloys

    Science.gov (United States)

    Arakere, Nagaraj K.; Swanson, Gregory R.

    2000-01-01

    High Cycle Fatigue (HCF) induced failures in aircraft gas-turbine engines is a pervasive problem affecting a wide range of components and materials. HCF is currently the primary cause of component failures in gas turbine aircraft engines. Turbine blades in high performance aircraft and rocket engines are increasingly being made of single crystal nickel superalloys. Single-crystal Nickel-base superalloys were developed to provide superior creep, stress rupture, melt resistance and thermomechanical fatigue capabilities over polycrystalline alloys previously used in the production of turbine blades and vanes. Currently the most widely used single crystal turbine blade superalloys are PWA 1480/1493 and PWA 1484. These alloys play an important role in commercial, military and space propulsion systems. PWA1493, identical to PWA1480, but with tighter chemical constituent control, is used in the NASA SSME (Space Shuttle Main Engine) alternate turbopump, a liquid hydrogen fueled rocket engine. Objectives for this paper are motivated by the need for developing failure criteria and fatigue life evaluation procedures for high temperature single crystal components, using available fatigue data and finite element modeling of turbine blades. Using the FE (finite element) stress analysis results and the fatigue life relations developed, the effect of variation of primary and secondary crystal orientations on life is determined, at critical blade locations. The most advantageous crystal orientation for a given blade design is determined. Results presented demonstrates that control of secondary and primary crystallographic orientation has the potential to optimize blade design by increasing its resistance to fatigue crack growth without adding additional weight or cost.

  5. Crystal growth, structure analysis and characterisation of 2 - (1, 3 - dioxoisoindolin - 2 - yl) acetic acid single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Sankari, R. Siva, E-mail: sivasankari.sh@act.edu.in [Department of Physics, Agni College of Technology, Thalambur, Chennai-603103 (India); Perumal, Rajesh Narayana [Department of Physics, SSN College of Engineering, Kalavakkam, Chennai-603110 (India)

    2014-04-24

    Single crystal of dielectric material 2 - (1, 3 - dioxoisoindolin - 2 - yl) acetic acid has been grown by slow evaporation solution growth method. The grown crystal was harvested in 25 days. The crystal structure was analyzed by Single crystal X - ray diffraction. UV-vis-NIR analysis was performed to examine the optical property of the grown crystal. The thermal property of the grown crystal was studied by thermogravimetric analysis (TGA) and differential thermal analysis (DTA). The dielectric measurements were carried out and the dielectric constant was calculated and plotted at all frequencies.

  6. Caracterización eléctrica y microestructural de cerámicas densificadas de BaTiO3 obtenido por pechini

    Directory of Open Access Journals (Sweden)

    Rivera, E.

    2010-12-01

    Full Text Available The barium titanate BaTiO3 is a material of great technological interest due to their dielectric properties. The functionality of this mixed oxide is mainly determined by its structure. Different synthesis methods have been used to improve the electrical response of BaTiO3. In this work BaTiO3 powders were synthesized using the polymeric precursor method, Pechini, obtaining the compound at 650 ° C, with uniform nanometric particle size (~ 20nm. The nature of the synthesized powders was analyzed using X-ray diffraction (XRD and differential scanning calorimetry (DSC. The results indicate that the crystalline phase present in the sample treated at 650 ° C is cubic and at 1100 ° C is tetragonal, with a relation c/a ≈ 1.007. The samples sinterized at 1100 ° C showed a ferroelectric-paraelectric transition at a temperature of T . 123ºC. The ceramic powders of barium titanate tetragonal, pressed and densified, was electrical characterizing with curves current-voltage (I-V at different temperatures. Additionally, we measured the change in electrical resistance versus temperature (R-T and we tested the behavior thermistor (PTCR of the material for different pressures. Also the electric response of the material with the variation of the frequency, for different temperatures, was measured.El titanato de bario BaTiO3 es un compuesto de gran interés tecnológico debido a sus propiedades dieléctricas. La funcionalidad de este oxido mixto está determinada, principalmente, por su estructura. Diferentes métodos de síntesis se han utilizado para mejorar la respuesta eléctrica del BaTiO3. En el presente trabajo se sintetizaron polvos de BaTiO3 utilizando el método de precursor polimérico, Pechini, obteniéndose el compuesto a una temperatura de 650 °C, con un tamaño de partícula nanométrico (~20nm y uniforme. La naturaleza de los polvos sintetizados se analizo utilizando difracción de rayos X (DRX y calorimetría diferencial de barrido (DSC. Los resultados indican que la fase cristalina presente en la muestra tratada a 650 °C es cúbica y a 1100 °C es tetragonal, con una relación c/a ≈ 1.007. Las muestras tratadas a 1100 °C presentaron una transición ferroeléctrico-paraeléctrico a una temperatura de T . 123ºC. Los polvos cerámicos de titanato de bario tetragonal, prensados y densificados, se caracterizaron eléctricamente para obtener las curvas de corriente-voltaje (I-V a diferentes temperaturas. Además, se midió la variación de la resistencia eléctrica en función de la temperatura (R-T, verificándose su comportamiento termistor (PTCR a diferentes presiones, y la repuesta del material frente a la variación de la frecuencia.

  7. Frictional properties of single crystals HMX, RDX and PETN explosives.

    Science.gov (United States)

    Wu, Y Q; Huang, F L

    2010-11-15

    The frictional properties of single crystals of cyclotetramethylene tetranitramine (HMX), cyclotrimethylene trinitramine (RDX) and pentaerythritol tetranitrate (PETN) secondary explosives are examined using a sensitive friction machine. The explosive crystals used for the measurements are at least 3.5 mm wide. The friction coefficients between crystals of the same explosive (i.e., HMX on HMX, etc.), crystals of different explosives (i.e., HMX on RDX, etc.), and each explosive and a well-polished gauge steel surface are determined. The frictional surfaces are also studied under an environmental scanning electron microscope (ESEM) to analyze surface microstructural changes under increasing loading forces. The friction coefficients vary considerably with increasing normal loading forces and are particularly sensitive to slider shapes, crystal roughness and the mechanical properties of both the slider and the sample. With increasing loading forces, most friction experiments show surface damage, consisting of grooves, debris, and nano-particles, on both the slider and sample. In some cases, a strong evidence of a localized molten state is found in the central region of the friction track. Possible mechanisms that affect the friction coefficient are discussed based on microscopic observations. Copyright © 2010 Elsevier B.V. All rights reserved.

  8. Mutiple Czochralski growth of silicon crystals from a single crucible

    Science.gov (United States)

    Lane, R. L.; Kachare, A. H.

    1980-01-01

    An apparatus for the Czochralski growth of silicon crystals is presented which is capable of producing multiple ingots from a single crucible. The growth chamber features a refillable crucible with a water-cooled, vacuum-tight isolation valve located between the pull chamber and the growth furnace tank which allows the melt crucible to always be at vacuum or low argon pressure when retrieving crystal or introducing recharge polysilicon feed stock. The grower can thus be recharged to obtain 100 kg of silicon crystal ingots from one crucible, and may accommodate crucibles up to 35 cm in diameter. Evaluation of the impurity contents and I-V characteristics of solar cells fabricated from seven ingots grown from two crucibles reveals a small but consistent decrease in cell efficiency from 10.4% to 9.6% from the first to the fourth ingot made in a single run, which is explained by impurity build-up in the residual melt. The crystal grower thus may offer economic benefits through the extension of crucible lifetime and the reduction of furnace downtime.

  9. Raman analysis of gold on WSe2 single crystal film

    International Nuclear Information System (INIS)

    Mukherjee, Bablu; Sun Leong, Wei; Li, Yida; Thong, John T L; Gong, Hao; Sun, Linfeng; Xiang Shen, Ze; Simsek, Ergun

    2015-01-01

    Synthesis and characterization of high-quality single-crystal tungsten diselenide (WSe 2 ) films on a highly insulating substrate is presented. We demonstrate for the first time that the presence of gold (Au) nanoparticles in the basal plane of a WSe 2 film can enhance its Raman scattering intensity. The experimentally observed enhancement ratio in the Raman signal correlates well with the simulated electric field intensity using both three-dimensional electromagnetic software and theoretical calculation considering layered medium coupled-dipole approximation (LM-CDA). This work serves as a guideline for the use of Au nanoparticles on WSe 2 single-crystal thin films for surface enhanced Raman scattering (SERS) applications in the future. (paper)

  10. Single crystal studies of platinum alloys for oxygen reduction electrodes

    DEFF Research Database (Denmark)

    Ulrikkeholm, Elisabeth Therese

    the behavior of bulk single crystals, deposition of yttrium and gadolinium on a clean, annealed Pt(111) crystal were investigated in UHV. PtxY and PtxGd alloys terminated with a single atomic layer of platinum were formed after annealing to 500 °C in UHV. These alloys will be referred to as Y/Pt(111) and Gd.......89×1.89 structure, and the Gd/Pt(111) sample has formed a 1.90×1.90 structure compared to pure platinum. From the XPS measurements, it is most likely that alloys with the Pt5Y and Pt5Gd stoichiometry have been formed. The reactivity of the surfaces were probed using TPD. These measurements showed sharp desorption...

  11. Frequency dispersion of flexoelectricity in PMN-PT single crystal

    Science.gov (United States)

    Shu, Longlong; Wan, Meiqian; Jiang, Xiaoning; Li, Fei; Zhou, Naigen; Huang, Wenbin; Wang, Tong

    2017-01-01

    The mechanism of the recent discovered enhanced flexoelectricity in perovskites has brought about numerous controversies which still remain unclear. In this paper, we employed relaxor 0.68Pb(Mg2/3Nb1/3)O3 -0.32PbTiO3 (PMN-PT) single crystals for study. The observed flexoelectric coefficient in PMN-PT single crystal reaches up to 100 μ C /m , and in a relative low frequency range, exhibits an abnormal frequency dispersion phenomenon with a positive relationship with frequency. Such frequency dispersion regulation is different from the normal relaxation behavior that usually occur a time delay, and hence proves the flexoelectricity acting more like bulk effect rather than surface effect in this kind of materials.

  12. Frequency dispersion of flexoelectricity in PMN-PT single crystal

    Directory of Open Access Journals (Sweden)

    Longlong Shu

    2017-01-01

    Full Text Available The mechanism of the recent discovered enhanced flexoelectricity in perovskites has brought about numerous controversies which still remain unclear. In this paper, we employed relaxor 0.68Pb(Mg2/3Nb1/3O3 -0.32PbTiO3 (PMN-PT single crystals for study. The observed flexoelectric coefficient in PMN-PT single crystal reaches up to 100 μC/m, and in a relative low frequency range, exhibits an abnormal frequency dispersion phenomenon with a positive relationship with frequency. Such frequency dispersion regulation is different from the normal relaxation behavior that usually occur a time delay, and hence proves the flexoelectricity acting more like bulk effect rather than surface effect in this kind of materials.

  13. Mechanisms for tertiary creep of single crystal superalloy

    Science.gov (United States)

    Staroselsky, Alexander; Cassenti, Brice

    2008-12-01

    During the thermal-mechanical loading of high temperature single crystal turbine components, all three creep—stages: primary, secondary and tertiary, manifest themselves and, hence, none of them can be neglected. The development of a creep law that includes all three stages is especially important in the case of non-homogeneous thermal loading of the component where significant stress redistribution and relaxation will result. Thus, local creep analysis is crucial for proper design of damage tolerant airfoils. We have developed a crystallographic-based constitutive model and fully coupled it with damage kinetics. The model extends existing approaches for cyclic and thermal-cyclic loading of anisotropic elasto-viscoplastic deformation behavior and damage kinetics of single-crystal materials, allowing prediction of tertiary creep and failure initiation of high temperature components. Our damage model bridges the gap between dislocation dynamics and the continuum mechanics scales and can be used to represent tertiary as well as primary and secondary creep.

  14. Scintillation activity in an unirradiated single crystal of 3-hydroxyxanthine

    International Nuclear Information System (INIS)

    Cooke, D.W.; Jahan, M.S.; Alexander, C. Jr.

    1976-01-01

    A method of growing single crystals (approximately 4mm long) of 3-hydroxyxanthine is described. Observed scintillations occurring in an unirradiated single crystal of this potent oncogen as the temperature is lowered from 300 to 90 K are shown. It was found that these scintillations occur upon heating or cooling and do not diminish in activity as the number of heating and cooling cycles increase. It was found that a short duration u.v. exposure would terminate the scintillation activity and various attempts (such as annealing and pressure changes) to rejuvenate them were unsuccessful. With these observations in mind speculation is made concerning the mechanisms associated with the production of purine N-oxide derivatives. (U.K.)

  15. Influence of solvents on the habit modification of alpha lactose monohydrate single crystals

    Science.gov (United States)

    Parimaladevi, P.; Srinivasan, K.

    2013-02-01

    Restricted evaporation of solvent method was adopted for the growth of alpha lactose monohydrate single crystals from different solvents. The crystal habits of grown crystals were analysed. The form of crystallization was confirmed by powder x-ray diffraction analysis. Thermal behaviour of the grown crystals was studied by using differential scanning calorimetry.

  16. X-ray diffraction analysis of some single crystals with special properties

    Energy Technology Data Exchange (ETDEWEB)

    Antipin, M.Yu. [Russian Academy of Sciences, Moscow (Russian Federation). Inst. of Organoelement Compounds

    1996-12-31

    New possibilities of the X-ray diffraction method for studies of some single crystals with special physical properties are analyzed. It is demonstrated that wide range temperature diffraction data, special single crystals experiments under strong electric fields, and charge density analysis in crystals might enrich the knowledge on the nature of the crystal properties.

  17. A macroscopic model for magnetic shape-memory single crystals

    Czech Academy of Sciences Publication Activity Database

    Bessoud, A. L.; Kružík, Martin; Stefanelli, U.

    2013-01-01

    Roč. 64, č. 2 (2013), s. 343-359 ISSN 0044-2275 R&D Projects: GA AV ČR IAA100750802; GA ČR GAP201/10/0357 Institutional support: RVO:67985556 Keywords : magneto striction * evolution Subject RIV: BA - General Mathematics Impact factor: 1.214, year: 2013 http://library.utia.cas.cz/separaty/2012/MTR/kruzik-a macroscopic model for magnetic shape-memory single crystals.pdf

  18. Ion implantation induced blistering of rutile single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Xiang, Bing-Xi [School of Physics, Shandong University, Jinan, Shandong 250100 (China); Jiao, Yang [College of Physics and Electronics, Shandong Normal University, Jinan, Shandong 250100 (China); Guan, Jing [School of Physics, Shandong University, Jinan, Shandong 250100 (China); Wang, Lei [School of Physics, Shandong University, Jinan, Shandong 250100 (China); Key Laboratory of Nanodevices and Applications, Suzhou Institute of Nano-Tech and Nano-Bionics, Chinese Academy of Sciences (China)

    2015-07-01

    The rutile single crystals were implanted by 200 keV He{sup +} ions with a series fluence and annealed at different temperatures to investigate the blistering behavior. The Rutherford backscattering spectrometry, optical microscope and X-ray diffraction were employed to characterize the implantation induced lattice damage and blistering. It was found that the blistering on rutile surface region can be realized by He{sup +} ion implantation with appropriate fluence and the following thermal annealing.

  19. Single crystal analyser accepting the narrowest neutron angular profile

    International Nuclear Information System (INIS)

    Abbas, Sohrab; Wagh, Apoorva G.; Strobl, Markus; Treimer, Wolfgang

    2007-01-01

    We have designed, fabricated and tested a novel silicon single crystal analyser. It accepts a 0.21 arcsec (FWHM) wide angular profile of a monochromatic 5.24 A neutron beam, in agreement with its design. This is the narrowest and sharpest acceptance angular profile attained to date in the world with a neutron analyser. This analyser will facilitate SUSANS experiments probing wave vector transfers Q ∼ 10 -6 A -1 . (author)

  20. Blue luminescence in ZnO single crystals, nanopowders, ceramic

    International Nuclear Information System (INIS)

    LGrigorjeva; Millers, D; Pankratov, V; Kalinko, A; Grabis, J; Monty, C

    2007-01-01

    The luminescence spectra and luminescence decay processes were studied in a ZnO single crystal, nanopowders and ceramic at liquid helium and room temperature under VUV synchrotron radiation as well as under pulsed laser excitation. The exciton-exciton and exciton-multiphonon processes were compared in different ZnO nanopowders (commercial powder, powders obtained by vaporization-condensation technique) and ceramic. The possibility of luminescence decay time modification by Al 3+ doping was shown

  1. Application of GRID to Foreign Atom Localization in Single Crystals.

    Science.gov (United States)

    Karmann, A; Wesch, W; Weber, B; Börner, H G; Jentschel, M

    2000-01-01

    The application of GRID (Gamma Ray Induced Doppler broadening) spectroscopy to the localization of foreign atoms in single crystals is demonstrated on erbium in YAP. By the investigation of the Doppler broadened secondary γ line for two crystalline directions, the Er was determined to be localized on the Y site. Conditions for the nuclear parameters of the impurity atoms used for the application of GRID spectroscopy are discussed.

  2. Study of diffusion of Ag in Cu single crystals

    CERN Document Server

    Wang, R

    2002-01-01

    4.0 MeV sup 7 Li sup + sup + RBS and AES were used for investigations of thermal diffusion of Ag in Cu single crystals. The annealing of samples was carried out in vacuum in the temperature range from 498 to 613 K. The element depth concentration profiles transformed from RBS spectra indicate that the diffusion of Ag into Cu is a typical volume diffusion. The Arrhenius parameters corresponding to the diffusion were obtained.

  3. Luminescence properties of piezoelectric single crystals with langasite structure

    International Nuclear Information System (INIS)

    Itoh, Minoru; Takagi, Shinya; Kitaura, Mamoru; Fujita, Masami; Endo, Naoyuki

    2007-01-01

    Luminescence properties of single crystals of langasite (LGS), langataite (LGT), and langanite (LGN) are investigated at 5 K by using synchrotron radiation as an exciting light source. Two emission bands are observed at 420 and 500 nm in LGS, at 410 and 460 nm in LGT, and at 500 and 535 nm in LGN. The origin of these bands is discussed by reference to the electronic structure of LGS

  4. Conformación de termistores utilizando polvos de BaTiO3 sintetizados por el método pechini

    Directory of Open Access Journals (Sweden)

    Claudia P. Fernández Perdomo

    2010-05-01

    Full Text Available El titanato de bario, BaTiO3, es un compuesto de gran interés en el ámbito de la electrocerámica, ya que se utiliza en la fabricación de condensadores, transductores piezoeléctricos y dispositivos resistivos con coeficiente positivo de temperatura (PTCR, así como en la manufactura de piroeléctricos y dispositivos optoelectrónicos, entre otros dispositivos. La mayoría de estos componentes son conformados con polvos cerámicos de elevada pureza y tamaño de partícula adecuado. Esto exige estructurar métodos de síntesis que garanticen es- tos requerimientos. En este trabajo se sintetizaron polvos cerámicos de BaTiO3 por el método de precursor polimérico (Pechini, obteniéndose una materia prima muy pura y con pequeño tamaño de partícula. Los polvos obtenidos se caracterizaron utilizando análisis térmico (ATD/TG, difracción de rayos X (DRX y calorimetría diferencial de barrido (DSC. Los resultados indican que en las muestras tratadas a 650 °C la única fase cristalina presente es el BaTiO3 cúbico y a 1.100 °C la tetragonal, con una relación c/a < 1.007. Las muestras tratadas a 1.100 °C presentaron una transición ferroeléctrica a paraeléctrica a una temperatura de T ≈ 123 °C. Los polvos cerámicos de BaTiO3 tetragonal fueron prensados uniaxialmente y posteriormente sinterizados a 1.200 °C durante 2 horas. Estas muestras se caracterizaron eléctricamente, obteniéndose curvas de resistencia eléctrica en función de la temperatura (R-T, evidenciándose en ellas su comportamiento termistor tipo PTCR. Además, se midió la variación de la corriente-voltaje (I-V a diferentes temperaturas.

  5. Growth and characterisation of lead iodide single crystals

    International Nuclear Information System (INIS)

    Tonn, Justus

    2012-01-01

    The work in hand deals with the growth and characterisation of lead iodide (PbI 2 ) single crystals. PbI 2 is regarded as a promising candidate for low-noise X- and gamma ray detection at room temperature. Its benefits if compared to conventional materials like HgI 2 , CdTe, Si, or GaAs lie in a band gap energy of 2.32 eV, an excellent ability to absorb radiation, and a high electrical resistivity. For an application of PbI 2 as detector material the growth and characterisation of crystals with high chemical and structural quality is extremely challenging. In light of this, the effectiveness of zone purification of the PbI 2 used for crystal growth was confirmed by spectroscopic analysis. Furthermore, technological aspects during processing of purified PbI 2 were investigated. With the help of thermal analysis, a correlation was found between the degree of exposing the source material to oxygen from the air and the structural quality of the resulting crystals. A hydrogen treatment was applied to PbI 2 as an effective method for the removal of oxidic pollutions, which resulted in a significant reduction of structural defects like polytypic growth and stress-induced cracking. The growth of PbI 2 single crystals was, among others, carried out by the Bridgman-Stockbarger method. In this context, much effort was put on the investigation of influences resulting from the design and preparation of ampoules. For the first time, crystal growth of PbI 2 was also carried out by the Czochralski method. If compared to the Bridgman-Stockbarger method, the Czochralski technique allowed a significantly faster growth of nearly crack-free crystals with a reproducible predetermination of crystallographic orientation. By an optimised sample preparation of PbI 2 , surface orientations perpendicular to the usually cleaved (0001) plane were realised. It is now possible to determine the material properties along directions which were so far not accessible. Thus, for example, the ratio of

  6. SINGLE-CRYSTAL SAPPHIRE OPTICAL FIBER SENSOR INSTRUMENTATION

    Energy Technology Data Exchange (ETDEWEB)

    A. Wang; G. Pickrell; R. May

    2002-09-10

    In this research program, several optical instruments for high temperature measurement based on single crystal sapphire material are introduced and tested for real-time, reliable, long-term monitoring of temperatures for coal gasifier. These are sapphire fiber extrinsic Fabry-Perot interferometric (EFPI) sensor; intensity-measurement based polarimetric sapphire sensor and broadband polarimetric differential interferometric (BPDI) sapphire sensor. Based on current evaluation and analysis of the experimental results, the broadband polarimetric differential interferometric (BPDI) sensor system was chosen for further prototype instrumentation development. This approach is based on the self-calibrating measurement of optical path differences (OPD) in a single-crystal sapphire disk, which is a function of both the temperature dependent birefringence and the temperature dependent dimensional changes. The BPDI sensor system extracts absolute temperature information by absolute measurement of phase delays. By encoding temperature information in optical spectrum instead of optical intensity, this sensor guarantees its relative immunity to optical source power fluctuations and fiber losses, thus providing a high degree of long-term measurement stability which is highly desired in industrial applications. The entire prototype for BPDI system including the single crystal sapphire probe, zirconia prism, alumina extension tube, optical components and signal processing hardware and software have shown excellent performance in the laboratory experiments shown in this report.

  7. Interfacial dislocation motion and interactions in single-crystal superalloys

    Energy Technology Data Exchange (ETDEWEB)

    Liu, B. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Raabe, D. [Max Planck Inst. fur Eisenforshung. Dusseldorf (Germany); Roters, F. [Max Planck Inst. fur Eisenforshung. Dusseldorf (Germany); Arsenlis, A. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2014-10-01

    The early stage of high-temperature low-stress creep in single-crystal superalloys is characterized by the rapid development of interfacial dislocation networks. Although interfacial motion and dynamic recovery of these dislocation networks have long been expected to control the subsequent creep behavior, direct observation and hence in-depth understanding of such processes has not been achieved. Incorporating recent developments of discrete dislocation dynamics models, we simulate interfacial dislocation motion in the channel structures of single-crystal superalloys, and investigate how interfacial dislocation motion and dynamic recovery are affected by interfacial dislocation interactions and lattice misfit. Different types of dislocation interactions are considered: self, collinear, coplanar, Lomer junction, glissile junction, and Hirth junction. The simulation results show that strong dynamic recovery occurs due to the short-range reactions of collinear annihilation and Lomer junction formation. The misfit stress is found to induce and accelerate dynamic recovery of interfacial dislocation networks involving self-interaction and Hirth junction formation, but slow down the steady interfacial motion of coplanar and glissile junction forming dislocation networks. The insights gained from these simulations on high-temperature low-stress creep of single-crystal superalloys are also discussed.

  8. Single crystal plasticity by modeling dislocation density rate behavior

    Energy Technology Data Exchange (ETDEWEB)

    Hansen, Benjamin L [Los Alamos National Laboratory; Bronkhorst, Curt [Los Alamos National Laboratory; Beyerlein, Irene [Los Alamos National Laboratory; Cerreta, E. K. [Los Alamos National Laboratory; Dennis-Koller, Darcie [Los Alamos National Laboratory

    2010-12-23

    The goal of this work is to formulate a constitutive model for the deformation of metals over a wide range of strain rates. Damage and failure of materials frequently occurs at a variety of deformation rates within the same sample. The present state of the art in single crystal constitutive models relies on thermally-activated models which are believed to become less reliable for problems exceeding strain rates of 10{sup 4} s{sup -1}. This talk presents work in which we extend the applicability of the single crystal model to the strain rate region where dislocation drag is believed to dominate. The elastic model includes effects from volumetric change and pressure sensitive moduli. The plastic model transitions from the low-rate thermally-activated regime to the high-rate drag dominated regime. The direct use of dislocation density as a state parameter gives a measurable physical mechanism to strain hardening. Dislocation densities are separated according to type and given a systematic set of interactions rates adaptable by type. The form of the constitutive model is motivated by previously published dislocation dynamics work which articulated important behaviors unique to high-rate response in fcc systems. The proposed material model incorporates thermal coupling. The hardening model tracks the varying dislocation population with respect to each slip plane and computes the slip resistance based on those values. Comparisons can be made between the responses of single crystals and polycrystals at a variety of strain rates. The material model is fit to copper.

  9. Point defects and electric compensation in gallium arsenide single crystals

    International Nuclear Information System (INIS)

    Kretzer, Ulrich

    2007-01-01

    In the present thesis the point-defect budget of gallium arsenide single crystals with different dopings is studied. It is shown, in which way the concentration of the single point defects depende on the concentration of the dopants, the stoichiometry deviation, and the position of the Fermi level. For this serve the results of the measurement-technical characterization of a large number of samples, in the fabrication of which these parameters were directedly varied. The main topic of this thesis lies in the development of models, which allow a quantitative description of the experimentally studied electrical and optical properties of gallium arsenide single crystals starting from the point-defect concentrations. Because from point defects charge carriers can be set free, their concentration determines essentially the charge-carrier concentration in the bands. In the ionized state point defects act as scattering centers for free charge carriers and influence by this the drift mobility of the charge carriers. A thermodynamic modeling of the point-defect formation yields statements on the equilibrium concentrations of the point defects in dependence on dopant concentration and stoichiometry deviation. It is show that the electrical properties of the crystals observed at room temperature result from the kinetic suppression of processes, via which the adjustment of a thermodynamic equilibrium between the point defects is mediated [de

  10. Chiral multichromic single crystals for optical devices (LDRD 99406).

    Energy Technology Data Exchange (ETDEWEB)

    Kemp, Richard Alan; Felix, Ana M. (University of New Mexico, Albuquerque, NM)

    2006-12-01

    This report summarizes our findings during the study of a novel system that yields multi-colored materials as products. This system is quite unusual as it leads to multi-chromic behavior in single crystals, where one would expect that only a single color would exist. We have speculated that these novel solids might play a role in materials applications such as non-linear optics, liquid crystal displays, piezoelectric devices, and other similar applications. The system examined consisted of a main-group alkyl compound (a p block element such as gallium or aluminum) complexed with various organic di-imines. The di-imines had substituents of two types--either alkyl or aromatic groups attached to the nitrogen atoms. We observed that single crystals, characterized by X-ray crystallography, were obtained in most cases. Our research during January-July, 2006, was geared towards understanding the factors leading to the multi-chromic nature of the complexes. The main possibilities put forth initially considered (a) the chiral nature of the main group metal, (b) possible reduction of the metal to a lower-valent, radical state, (c) the nature of the ligand(s) attached to the main group metal, and (d) possible degradation products of the ligand leading to highly-colored products. The work carried out indicates that the most likely explanation considered involves degradation of the aromatic ligands (a combination of (c) and (d)), as the experiments performed can clearly rule out (a) and (b).

  11. Diamond turning of Si and Ge single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Blake, P.; Scattergood, R.O.

    1988-12-01

    Single-point diamond turning studies have been completed on Si and Ge crystals. A new process model was developed for diamond turning which is based on a critical depth of cut for plastic flow-to-brittle fracture transitions. This concept, when combined with the actual machining geometry for single-point turning, predicts that {open_quotes}ductile{close_quotes} machining is a combined action of plasticity and fracture. Interrupted cutting experiments also provide a meant to directly measure the critical depth parameter for given machining conditions.

  12. Method for thermal processing alumina-enriched spinel single crystals

    Science.gov (United States)

    Jantzen, Carol M.

    1995-01-01

    A process for age-hardening alumina-rich magnesium aluminum spinel to obtain the desired combination of characteristics of hardness, clarity, flexural strength and toughness comprises selection of the time-temperature pair for isothermal heating followed by quenching. The time-temperature pair is selected from the region wherein the precipitate groups have the characteristics sought. The single crystal spinel is isothermally heated and will, if heated long enough pass from its single phase through two pre-precipitates and two metastable precipitates to a stable secondary phase precipitate within the spinel matrix. Quenching is done slowly at first to avoid thermal shock, then rapidly.

  13. Grating coupler on single-crystal lithium niobate thin film

    Science.gov (United States)

    Chen, Zhihua; Wang, Yiwen; Jiang, Yunpeng; Kong, Ruirui; Hu, Hui

    2017-10-01

    The grating coupler on single-crystal lithium niobate thin film (lithium niobate on insulator, LNOI) was designed. A bottom reflector was added in the LNOI material to improve the coupling efficiency. The grating structure was optimized by FDTD method. The material parameters such as layer thickness of lithium niobate thin film, SiO2 thickness were discussed with respect to the coupling efficiency, and the tolerances of grating period, etch depth, groove width and fiber position were also studied systematically. The simulated maximum coupling efficiency from a grating coupler with (without) bottom reflector to a single-mode fiber is about 78% (40%) in z-cut LNOI for TE polarization.

  14. Single mode dye-doped polymer photonic crystal lasers

    DEFF Research Database (Denmark)

    Christiansen, Mads Brøkner; Buss, Thomas; Smith, Cameron

    2010-01-01

    Dye-doped polymer photonic crystal (PhC) lasers fabricated by combined nanoimprint and photolithography are studied for their reproducibility and stability characteristics. We introduce a phase shift in the PhC lattice that substantially improves the yield of single wavelength emission. Single mode...... emission and reproducibility of laser characteristics are important if the lasers are to be mass produced in, e. g., optofluidic sensor chips. The fabrication yield is above 85% with highly reproducible wavelengths (within 0.5%), and the temperature dependence on the wavelength is found to be -0.045 or -0...

  15. Acquisition of Single Crystal Growth and Characterization Equipment. Final report

    International Nuclear Information System (INIS)

    Maple, M. Brian; Zocco, Diego A.

    2008-01-01

    Final Report for DOE Grant No. DE-FG02-04ER46178 'Acquisition of Single Crystal Growth and Characterization Equipment'. There is growing concern in the condensed matter community that the need for quality crystal growth and materials preparation laboratories is not being met in the United States. It has been suggested that there are too many researchers performing measurements on too few materials. As a result, many user facilities are not being used optimally. The number of proficient crystal growers is too small. In addition, insufficient attention is being paid to the enterprise of finding new and interesting materials, which is the driving force behind much of condensed matter research and, ultimately, technology. While a detailed assessment of this situation is clearly needed, enough evidence of a problem already exists to compel a general consensus that the situation must be addressed promptly. This final report describes the work carried out during the last four years in our group, in which a state-of-the-art single crystal growth and characterization facility was established for the study of novel oxides and intermetallic compounds of rare earth, actinide and transition metal elements. Research emphasis is on the physics of superconducting (SC), magnetic, heavy fermion (HF), non-Fermi liquid (NFL) and other types of strongly correlated electron phenomena in bulk single crystals. Properties of these materials are being studied as a function of concentration of chemical constituents, temperature, pressure, and magnetic field, which provide information about the electronic, lattice, and magnetic excitations at the root of various strongly correlated electron phenomena. Most importantly, the facility makes possible the investigation of material properties that can only be achieved in high quality bulk single crystals, including magnetic and transport phenomena, studies of the effects of disorder, properties in the clean limit, and spectroscopic and scattering

  16. Acquisition of Single Crystal Growth and Characterization Equipment

    Energy Technology Data Exchange (ETDEWEB)

    Maple, M. Brian; Zocco, Diego A.

    2008-12-09

    Final Report for DOE Grant No. DE-FG02-04ER46178 'Acquisition of Single Crystal Growth and Characterization Equipment'. There is growing concern in the condensed matter community that the need for quality crystal growth and materials preparation laboratories is not being met in the United States. It has been suggested that there are too many researchers performing measurements on too few materials. As a result, many user facilities are not being used optimally. The number of proficient crystal growers is too small. In addition, insufficient attention is being paid to the enterprise of finding new and interesting materials, which is the driving force behind much of condensed matter research and, ultimately, technology. While a detailed assessment of this situation is clearly needed, enough evidence of a problem already exists to compel a general consensus that the situation must be addressed promptly. This final report describes the work carried out during the last four years in our group, in which a state-of-the-art single crystal growth and characterization facility was established for the study of novel oxides and intermetallic compounds of rare earth, actinide and transition metal elements. Research emphasis is on the physics of superconducting (SC), magnetic, heavy fermion (HF), non-Fermi liquid (NFL) and other types of strongly correlated electron phenomena in bulk single crystals. Properties of these materials are being studied as a function of concentration of chemical constituents, temperature, pressure, and magnetic field, which provide information about the electronic, lattice, and magnetic excitations at the root of various strongly correlated electron phenomena. Most importantly, the facility makes possible the investigation of material properties that can only be achieved in high quality bulk single crystals, including magnetic and transport phenomena, studies of the effects of disorder, properties in the clean limit, and spectroscopic and

  17. Barreiras de potencial mapeadas por microscopia de força atômica em cerâmicas à base de BaTiO3 dopadas com lantânio Potential barriers mapping by atomic force microscopy in lanthanum doped BaTiO3 based ceramics

    Directory of Open Access Journals (Sweden)

    M. W. Mancini

    2007-06-01

    Full Text Available Cerâmicas à base de titanato de bário (BaTiO3 dopadas com 0,4% em mol de La e 150 ppm de Mn foram investigadas por microscopia de força atômica no modo de monitoramento de gradientes de campo elétrico, denominado microscopia de força elétrica, para revelar as barreiras de potencial nos contornos de grão. Estas barreiras elétricas são associadas com o abrupto aumento na resistividade elétrica que ocorre a partir da temperatura de transição ferroelétrica- paraelétrica em BaTiO3 dopado com pequenas quantidades de doadores. Mostramos que para a composição utilizada neste estudo a largura das barreiras elétricas é da ordem de 350 nm-400 nm, presentes nos contornos de grãos de tamanho médio de 1µm.Barium titanate (BaTiO3 based ceramics doped with La as donor (0.4at%t and Mn as acceptor (150 ppm were investigated through atomic force microscopy operating in electric force microscopy mode in order to reveal the potential barriers at grain boundaries. These barriers are associated with the steep rise in the resistivity above the ferroelectric-paraelectric phase transition temperature in BaTiO3 doped with small amounts of donor impurities. We show here that for such a composition the potential barrier width are of the order of 350-400 nm, present at grain boundaries of grains with size around 1 µm.

  18. Self-templated synthesis of single-crystal and single-domain ferroelectric nanoplates

    KAUST Repository

    Chao, Chunying

    2012-08-15

    Free-standing single-crystal PbTiO 3 nanoplates (see picture) were synthesized by a facile hydrothermal method. A "self-templated" crystal growth is presumed to lead to the formation of the PbTiO 3 nanoplates, which have ferroelectric single-domain structures, whose polarization areas can be manipulated by writing and reading. The nanoplates are also effective catalysts for the oxidation of carbon monoxide. © 2012 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. Computational Modeling of Photonic Crystal Microcavity Single-Photon Emitters

    Science.gov (United States)

    Saulnier, Nicole A.

    Conventional cryptography is based on algorithms that are mathematically complex and difficult to solve, such as factoring large numbers. The advent of a quantum computer would render these schemes useless. As scientists work to develop a quantum computer, cryptographers are developing new schemes for unconditionally secure cryptography. Quantum key distribution has emerged as one of the potential replacements of classical cryptography. It relics on the fact that measurement of a quantum bit changes the state of the bit and undetected eavesdropping is impossible. Single polarized photons can be used as the quantum bits, such that a quantum system would in some ways mirror the classical communication scheme. The quantum key distribution system would include components that create, transmit and detect single polarized photons. The focus of this work is on the development of an efficient single-photon source. This source is comprised of a single quantum dot inside of a photonic crystal microcavity. To better understand the physics behind the device, a computational model is developed. The model uses Finite-Difference Time-Domain methods to analyze the electromagnetic field distribution in photonic crystal microcavities. It uses an 8-band k · p perturbation theory to compute the energy band structure of the epitaxially grown quantum dots. We discuss a method that combines the results of these two calculations for determining the spontaneous emission lifetime of a quantum dot in bulk material or in a microcavity. The computational models developed in this thesis are used to identify and characterize microcavities for potential use in a single-photon source. The computational tools developed are also used to investigate novel photonic crystal microcavities that incorporate 1D distributed Bragg reflectors for vertical confinement. It is found that the spontaneous emission enhancement in the quasi-3D cavities can be significantly greater than in traditional suspended slab

  20. Evolution of structure in Na 0.5 Bi 0.5 TiO 3 single crystals with BaTiO 3

    Energy Technology Data Exchange (ETDEWEB)

    Ge, Wenwei; Luo, Chengtao; Zhang, Qinhui; Ren, Yang; Li, Jiefang; Luo, Haosu; Viehland, D.

    2014-10-20

    The structural, dielectric, and piezoelectric properties of Na0.5Bi0.5TiO3-x mol. %BaTiO3 (NBT-x%BT) crystals have been investigated. The dielectric and piezoelectric properties of NBT-x%BT were enhanced near x¼5–7. High resolution synchrotron x-ray powder diffraction studies revealed the presence of a phase boundary between monoclinic (Cc) and tetragonal (P4bm) phases near x¼5–7, where the dielectric and piezoelectric properties were enhanced.

  1. Shock-induced optical emission from yttria-doped cubic zircon single crystal: crystal orientation effects

    Science.gov (United States)

    Cao, Xiuxia; Zhou, Xianming; Meng, Chuanmin

    2015-06-01

    The shock-induced optical emission from yttria (Y2O3) -doped cubic zircon single crystal ( and crystal orientations) under the pressure range from 30 to 52 GPa was measured by the time-resolved 40-channel optical pyrometer at discrete wavelengths ranging from 400 to 800 nm. Clear periodic fluctuation was observed in spectral radiance history of ZrO2, while a noise fluctuation was found in ZrO2. The gray-body function was used to fit the spectral radiance histories. We found that the obtained apparent temperature varied slightly with time, but the emissivity history showed a fluctuate increase with time. Moreover, all the temperature data were independent of shock stress and were well above the calculated Lindeman melting temperature. Present result suggests that the optical emission relates to the shock-induced local hot spots, and its crystal orientation effect is attributed to the different dynamic deformation response between and ZrO2.

  2. Growth of high quality bulk size single crystals of inverted solubility lithium sulphate monohydrate

    Energy Technology Data Exchange (ETDEWEB)

    Silambarasan, A.; Rajesh, P., E-mail: rajeshp@ssn.edu.in; Ramasamy, P. [Center for Crystal Growth, SSN College of Engineering, Kalavakkam-603110 (India)

    2015-06-24

    The paper summarizes the processes of growing large lithium sulfate monohydrate (LSMH) single crystals. We have established a procedure to grow high quality bulk size single crystals of inverted solubility LSMH by a newly developed unidirectional crystallization technique called the Sankeranarayenan - Ramasamy (SR) method. The convective flow of crystal growth processes from solution and the conditions of growing crystals of various aspects were discussed. Good quality LSMH single crystal is grown of the size 20 mmX80 mm without cracks, localized-defects and inclusions. The as-grown crystals are suitable for piezoelectric and nonlinear optical applications.

  3. Large pyramid shaped single crystals of BiFeO{sub 3} by solvothermal synthesis method

    Energy Technology Data Exchange (ETDEWEB)

    Sornadurai, D.; Ravindran, T. R.; Paul, V. Thomas; Sastry, V. Sankara [Condensed Matter Physics Division, Materials Science Group, Physical Metallurgy Division, Metallurgy and Materials Group, Indira Gandhi Centre for Atomic Research, Kalpakkam, Tamil Nadu (India); Condensed Matter Physics Division, Materials Science Group (India)

    2012-06-05

    Synthesis parameters are optimized in order to grow single crystals of multiferroic BiFeO{sub 3}. 2 to 3 mm size pyramid (tetrahedron) shaped single crystals were successfully obtained by solvothermal method. Scanning electron microscopy with EDAX confirmed the phase formation. Raman scattering spectra of bulk BiFeO3 single crystals have been measured which match well with reported spectra.

  4. On size-effects in single crystal wedge indentation

    DEFF Research Database (Denmark)

    Niordson, Christian Frithiof; Kysar, Jeffrey W.

    2012-01-01

    Wedge indentation in single crystals is studied numerically, with emphasis on size-effects on the micron scale. Under the assumption of a perfectly sharp wedge indenter, a linear relationship between indentation force and indentation depth would be predicted from conventional theories lacking con...... are included in the model due to the addition of gradient terms in both the free energy as well as through a dissipation potential. The finite element solution method is presented, which delivers the slip-rate field and the velocity-field based on two minimum principles.......Wedge indentation in single crystals is studied numerically, with emphasis on size-effects on the micron scale. Under the assumption of a perfectly sharp wedge indenter, a linear relationship between indentation force and indentation depth would be predicted from conventional theories lacking...... constitutive length parameters to model sizeeffects. The problem is studied numerically using a strain gradient crystal visco-plasticity theory formulated along the lines proposed by Fleck andWillis (2009). It is shown how the force-indentation relation is affected due to size-dependence in the material. Size-effects...

  5. ESR Study on Irradiated Ascorbic Acid Single Crystal

    International Nuclear Information System (INIS)

    Tuner, H.; Korkmaz, M.

    2007-01-01

    Food irradiation is a 'cold' process for preserving food and has been established as a safe and effective method of food processing and preservation after more than five decades of research and development. The small temperature increase, absence of residue and effectiveness of treatment of pre-packed food are the main advantages. In food industry, ascorbic acid and its derivatives are frequently used as antioxidant agents. However, irradiation is expected to produces changes in the molecules of food components and of course in the molecules of the agents added as preservation agents such as ascorbic acid. These changes in the molecular structures could cause decreases in the antioxidant actions of these agents. Therefore, the radiation resistance of these agents must be known to determine the amount of radiation dose to be delivered. Electron spin resonance (ESR) is one of the leading methods for identification of intermediates produced after irradiation. ESR spectrum of irradiated solid powder of ascorbic acid is fairly complex and determinations of involved radical species are difficult. In the present work, single crystals of ascorbic acid irradiated by gamma radiation are used to determine molecular structures of radiation induced radicalic species and four radicalic species related in pair with P21 crystal symmetry are found to be responsible from experimental ESR spectrum of gamma irradiated single crystal of ascorbic acid

  6. Plastic deformation of Ni3Nb single crystals

    International Nuclear Information System (INIS)

    Hagihara, Kouji; Nakano, Takayoshi; Umakoshi, Yukichi

    1999-01-01

    Temperature dependence of yield stress and operative slip system in Ni 3 Nb single crystals with the D0 a structure was investigated in comparison with that in an analogous L1 2 structure. Compression tests were performed at temperatures between 20 C and 1,200 C for specimens with loading axes perpendicular to (110), (331) and (270). (010)[100] slip was operative for three orientations, while (010)[001] slip for (331) and [211] twin for (270) orientations were observed, depending on deformation temperature. The critical resolved shear stress (CRSS) for the (010)[100] slip anomaly increased with increasing temperature showing a maximum peak between 400 C and 800 C depending on crystal orientation. The CRSS showed orientation dependence and no significant strain rate dependence in the temperature range for anomalous strengthening. The [100] dislocations with a screw character were aligned on the straight when the anomalous strengthening occurred. The anomalous strengthening mechanism for (010)[100] slip in Ni 3 Nb single crystals is discussed on the basis of a cross slip model which has been widely accepted for some L1 2 -type compounds

  7. Strength anomaly in B2 FeAl single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Yoshimi, K.; Hanada, S.; Yoo, M.H. [Oak Ridge National Lab., TN (United States); Matsumoto, N. [Tohoku Univ. (Japan). Graduate School

    1994-12-31

    Strength and deformation microstructure of B2 Fe-39 and 48%Al single crystals (composition given in atomic percent), which were fully annealed to remove frozen-in vacancies, have been investigated at temperatures between room temperature and 1073K. The hardness of as-homogenized Fe-48Al is higher than that of as-homogenized Fe-39Al while after additional annealing at 698K the hardness of Fe-48Al becomes lower than that of Fe-39Al. Fe-39Al single crystals slowly cooled after homogenizing at a high temperature were deformed in compression as a function of temperature and crystal orientation. A peak of yield strength appears around 0.5T{sub m} (T{sub m} = melting temperature). The orientation dependence of the critical resolved shear stress does not obey Schmid`s law even at room temperature and is quite different from that of b.c.c. metals and B2 intermetallics at low temperatures. At the peak temperature slip transition from <111>-type to <001>-type is found to occur macroscopically and microscopically, while it is observed in TEM that some of the [111] dislocations decompose into [101] and [010] on the (1096I) plane below the peak temperature. The physical sources for the positive temperature dependence of yield stress of B2 FeAl are discussed based on the obtained results.

  8. Single-crystal neutron diffraction analysis in chemistry

    International Nuclear Information System (INIS)

    Hosoya, Takaaki; Ohhara, Takashi

    2010-01-01

    Single-crystal neutron diffraction technique is a powerful method to analyze the reaction mechanism whose hydrogen atom or proton has a key role in the reaction. Especially hydrogen atom or proton transfer(HT/PT) is one of the most elemental phenomena and often observed in many organic, inorganic, enzymatic and catalytic reactions. We describe several applications in chemistry. At first, hydrogen atom in metal hydride complexes, which is quite difficult to do using X-ray diffraction because of the great cloud of electrons of central metal atom. Secondary, hydrogen atom in hydrogen-bonding network, e.g., low-barrier hydrogen bond(LBHB) system. Neutron diffraction can refine the thermal motion of hydrogen atom. Finally, our results, photo-induced HT/PTs using 'deuterium atom labeling' technique and 'crystalline-state reaction' technique, which are currently developing applications. Despite the success illustrated by the many studies presented here or many other studies, we have many problems in using single-crystal neutron diffraction technique. For example, extremely limited flux and the requirement for mm-size sample crystals. Now, these limitations are being solved by the operation of powerful instruments at a new generation of pulsed neutron sources, including iBIX diffractometer running at Japan Proton Accelerator Research Complex(J-PARC) in Japan. (author)

  9. Crystal growth and anisotropy of high temperature thermoelectric properties of yttrium borosilicide single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Hossain, M. Anwar [International Center for Materials Nanoarchitectonics (WPI-MANA), National Institute for Materials Science (NIMS), Namiki 1-1, Tsukuba 305-0044 (Japan); Center for Crystal Science and Technology, University of Yamanashi, Miyamae 7-32, Kofu, Yamanashi 400-8511 (Japan); Tanaka, Isao [Center for Crystal Science and Technology, University of Yamanashi, Miyamae 7-32, Kofu, Yamanashi 400-8511 (Japan); Tanaka, Takaho; Khan, A. Ullah [International Center for Materials Nanoarchitectonics (WPI-MANA), National Institute for Materials Science (NIMS), Namiki 1-1, Tsukuba 305-0044 (Japan); Mori, Takao, E-mail: MORI.Takao@nims.go.jp [International Center for Materials Nanoarchitectonics (WPI-MANA), National Institute for Materials Science (NIMS), Namiki 1-1, Tsukuba 305-0044 (Japan); Graduate School of Pure and Applied Sciences, University of Tsukuba, 1-1-1 Tennoudai, Tsukuba 305-8671 (Japan)

    2016-01-15

    We studied thermoelectric properties of YB{sub 41}Si{sub 1.3} single crystals grown by the floating zone method. The composition of the grown crystal was confirmed by electron probe micro-analysis. We have determined the growth direction for the first time for these borosilicides, and discovered relatively large anisotropy in electrical properties. We measured the electrical resistivity and Seebeck coefficient along [510] (the growth direction) and [052] directions and we found that this crystal exhibits strong electrical anisotropy with a maximum of more than 8 times. An interesting layered structural feature is revealed along [510] with dense boron cluster layers and yttrium layers, with conductivity enhanced along this direction. We obtained 3.6 times higher power factor along [510] compared to that along [052]. Although the ZT of the present system is low, anisotropy in the thermoelectric properties of a boride was reported for the first time, and can be a clue in developing other boride systems also. - Graphical abstract: The growth direction ([510]) was determined for the first time in YB{sub 41}Si{sub 1.3} single crystals and revealed an interesting layered feature of boron clusters and metal atoms, along which the electrical conductivity and thermoelectric power factor was strongly enhanced. - Highlights: • We have grown YB{sub 41}Si{sub 1.3} single crystals by the floating zone method. • Growth direction of [510] determined for first time in REB{sub 41}Si{sub 1.2}. • Electrical resistivity was strongly anisotropic with possible enhancement along metal layers. • The obtained power factor along [510] is 3.6 times higher than that along [052].

  10. Micromechanical Behavior of Single-Crystal Superalloy with Different Crystal Orientations by Microindentation

    Directory of Open Access Journals (Sweden)

    Jinghui Li

    2015-01-01

    Full Text Available In order to investigate the anisotropic micromechanical properties of single-crystal nickel-based superalloy DD99 of four crystallographic orientations, (001, (215, (405, and (605, microindentation test (MIT was conducted with different loads and loading velocities by a sharp Berkovich indenter. Some material parameters reflecting the micromechanical behavior of DD99, such as microhardness H, Young’s modulus E, yield stress σy, strain hardening component n, and tensile strength σb, can be obtained from load-displacement relations. H and E of four different crystal planes evidently decrease with the increase of h. The reduction of H is due to dislocation hardening while E is related to interplanar spacing and crystal variable. σy of (215 is the largest among four crystal planes, followed by (605, and (001 has the lowest value. n of (215 is the lowest, followed by (605, and that of (001 is the largest. Subsequently, a simplified elastic-plastic material model was employed for 3D microindentation simulation of DD99 with various crystal orientations. The simulation results agreed well with experimental, which confirmed the accuracy of the simplified material model.

  11. Crystal growth and optical properties of Sm:CaNb2O6 single crystal

    International Nuclear Information System (INIS)

    Di Juqing; Xu Xiaodong; Xia Changtai; Zeng Huidan; Cheng Yan; Li Dongzhen; Zhou Dahua; Wu Feng; Cheng Jimeng; Xu Jun

    2012-01-01

    Highlights: ► Sm:CaNb 2 O 6 single crystal was grown by the Czochralski method. ► Thermal expansion coefficients and J–O parameters were calculated. ► We found that this crystal had high quantum efficiency of 97%. - Abstract: Sm:CaNb 2 O 6 single crystal has been grown by the Czochralski method. Its high-temperature X-ray powder diffraction, optical absorption, emission spectroscopic as well as lifetime have been studied. Thermal expansion coefficients (α), J–O parameters (Ω i ), radiative lifetime (τ rad ), branching ratios (β) and stimulated emission cross-sections (σ e ) were calculated. The quantum efficiency (η) was calculated to be 97%. The intense peak emission cross section at 610, 658 nm were calculated to be 2.40 × 10 −21 , 2.42 × 10 −21 cm 2 . These results indicate that Sm:CaNb 2 O 6 crystal has potential use in visible laser and photonic devices area.

  12. Crystal growth and luminescence properties of Pr-doped LuLiF4 single crystal

    International Nuclear Information System (INIS)

    Sugiyama, Makoto; Yanagida, Takayuki; Yokota, Yuui; Kurosawa, Shunsuke; Fujimoto, Yutaka; Yoshikawa, Akira

    2013-01-01

    0.1, 1, and 3% Pr (with respect to Lu) doped LuLiF 4 (Pr:LuLiF 4 ) single crystals were grown by the micro-pulling-down (μ-PD) method. Transparency of the grown crystals was higher than 70% in the visible wavelength region with some absorption bands due to Pr 3+ 4f-4f transitions. Intense absorption bands related with the Pr 3+ 4f-5d transitions were observed at 190 and 215 nm. In radioluminescence spectra, Pr 3+ 5d-4f emissions were observed at 220, 240, 340, and 405 nm. In the pulse height spectra recorded under 137 Cs γ-ray excitation, the Pr 3% doped sample showed the highest light yield of 2050 photons/MeV and the scintillation decay time of it exhibited 23 and 72 ns also excited by 137 Cs γ-ray. -- Highlights: ► 0.1, 1, and 3% Pr-doped LuLiF 4 single crystals were grown by the μ-PD method. ► Pr 3+ 5d-4f emission peaks appeared at 220, 240, 340, and 405 nm ► The Pr 3%:LuLiF 4 crystal showed the highest light yield of 2050 photons/MeV

  13. Single-Photon Source for Quantum Information Based on Single Dye Molecule Fluorescence in Liquid Crystal Host

    International Nuclear Information System (INIS)

    Lukishova, S.G.; Knox, R.P.; Freivald, P.; McNamara, A.; Boyd, R.W.; Stroud, Jr. C.R.; Schmid, A.W.; Marshall, K.L.

    2006-01-01

    This paper describes a new application for liquid crystals: quantum information technology. A deterministically polarized single-photon source that efficiently produces photons exhibiting antibunching is a pivotal hardware element in absolutely secure quantum communication. Planar-aligned nematic liquid crystal hosts deterministically align the single dye molecules which produce deterministically polarized single (antibunched) photons. In addition, 1-D photonic bandgap cholesteric liquid crystals will increase single-photon source efficiency. The experiments and challenges in the observation of deterministically polarized fluorescence from single dye molecules in planar-aligned glassy nematic-liquid-crystal oligomer as well as photon antibunching in glassy cholesteric oligomer are described for the first time

  14. Sonochemically assisted hollow/solid BaTiO3:Dy3+ microspheres and their applications in effective detection of latent fingerprints and lip prints

    Directory of Open Access Journals (Sweden)

    M. Dhanalakshmi

    2017-03-01

    Full Text Available Nanostructured materials find potential benefits for surface-based science such as latent fingerprints (LFPs and lip print detection on porous and non-porous surfaces. To encounter the drawbacks viz. low sensitivity, high background hindrance, complicated procedure and high toxicity associated with traditional fluorescent powders were resolved by using hollow/solid BaTiO3:Dy3+ (1–5 mol % microspheres. The visualization of LFPs stained by the optimized BaTiO3:Dy3+ (2 mol % hollow/solid microspheres exhibits well-defined ridge patterns with high sensitivity, low background hindrance, high efficiency and low toxicity on various surfaces. The powder X-ray diffraction results revealed the body centered cubic phase of the prepared samples. The emission spectra exhibit intensive peaks at ∼480, 575, and 637 nm, which were attributed to transitions 4F9/2→6HJ (J = 15/2, 13/2, 11/2 of Dy3+ ions, respectively. Surface morphologies were extensively studied with different sonication times and concentrations of the used barbituric acid. The Commission International De I-Eclairage (CIE and Correlated Color Temperature (CCT analyses revealed that the present phosphor is highly useful for the fabrication of white light emitting diodes.

  15. Sheets of vertically aligned BaTiO3 nanotubes reduce cell proliferation but not viability of NIH-3T3 cells.

    Directory of Open Access Journals (Sweden)

    Marianna Giannini

    Full Text Available All biomaterials initiate a tissue response when implanted in living tissues. Ultimately this reaction causes fibrous encapsulation and hence isolation of the material, leading to failure of the intended therapeutic effect of the implant. There has been extensive bioengineering research aimed at overcoming or delaying the onset of encapsulation. Nanotechnology has the potential to address this problem by virtue of the ability of some nanomaterials to modulate interactions with cells, thereby inducing specific biological responses to implanted foreign materials. To this effect in the present study, we have characterised the growth of fibroblasts on nano-structured sheets constituted by BaTiO3, a material extensively used in biomedical applications. We found that sheets of vertically aligned BaTiO3 nanotubes inhibit cell cycle progression - without impairing cell viability - of NIH-3T3 fibroblast cells. We postulate that the 3D organization of the material surface acts by increasing the availability of adhesion sites, promoting cell attachment and inhibition of cell proliferation. This finding could be of relevance for biomedical applications designed to prevent or minimize fibrous encasement by uncontrolled proliferation of fibroblastic cells with loss of material-tissue interface underpinning long-term function of implants.

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

    Science.gov (United States)

    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%.

  17. Influence of rare-earth additives (La, Sm and Dy on the microstructure and dielectric properties of doped BaTiO3 ceramics

    Directory of Open Access Journals (Sweden)

    Paunović Vesna

    2010-01-01

    Full Text Available A series of La/Mn, Sm/Mn and Dy/Mn codoped BaTiO3 samples were prepared by the conventional solid state procedure with dopant concentrations ranging from 0.1 up to 2.0 at%. The specimens were sintered at 1320°C and 1350°C in an air atmosphere for two hours. The low doped samples demonstrated a mainly uniform and homogeneous microstructure with average grain sizes ranging from 0.3 μm to 5.0 μm. The appearance of secondary abnormal grains in the fine grain matrix and core-shell structure were observed in highly doped La/BaTiO3 and Dy/BaTiO3 sintered at 1350°C. The low doped samples, sintered at 1350°C, display a high value of dielectric permittivity at room temperature, 6800 for Sm/BaTiO3, 5900 for Dy/BaTiO3 and 3100 for La/BaTiO3. A nearly flat permittivity-response was obtained in specimens with 2.0 at% additive content. Using a modified Curie-Weiss law the Curie-like constant C⁄ and a critical exponent γ were calculated. The obtained values of γ pointed out the diffuse phase transformation in heavily doped BaTiO3 samples.

  18. The effect of secondary abnormal grain growth on the dielectric properties of La/Mn co-doped BaTiO3 ceramics

    Directory of Open Access Journals (Sweden)

    Živković Lj.M.

    2006-01-01

    Full Text Available La/Mn-codoped BaTiO3 systems, obtained by solid state reactions, were investigated regarding their microstructure characteristics and ferroelectric properties. Different concentrations of La2O3 were used for doping, ranging from 0.1 to 5.0 at% La, while a content of Mn was constant at 0.05 at%. For all samples sintered below the eutectic temperature (1332°C, a uniform microstructure was formed with average grain size from 1-3 μm. The appearance of secondary abnormal grains with (111 double twins grains with curved or faceted grain boundaries were observed in La/Mn BaTiO3 ceramics after sintering at temperatures above the eutectic temperature. All sintered samples exhibited a high electrical resistivity. Better dielectric performances were obtained for low doped samples (0.1 at% La sintered at 1350°C. For samples with La content above 1.0 at% a lower value in dielectric permittivity at higher sintering temperature is due to secondary abnormal grain growth, and to the presence of a non-ferroelectric phase rich in La. The Curie constant together with other dielectric parameters were also calculated.

  19. Conoscopic study of strontium-barium niobate single crystals

    Science.gov (United States)

    Kolesnikov, Aleksandr; Grechishkin, Rostislav; Malyshkina, Olga; Malyshkin, Yury; Dec, Jan; Łukasiewicz, Tadeusz; Ivanova, Aleksandra

    2013-12-01

    Optically transparent single crystals of strontium-barium niobate, SrxBa1-xNb2O6, of different compositions (x = 0.26...0.7) were examined with the aid of conoscopic light interference figures. A regular change of the isochrome concentric ring number and diameters consistent with the temperature variation of the value of birefringence is demonstrated by direct observations of polar cuts of optically uniaxial samples. Anomalous violations of the conventional (uniaxial) interference patterns occur occasionaly in some samples being indicative of the existence of biaxial trait in their behaviour even though no voltage is applied. These features may depend on annealing treatments at elevated temperatures. The results of the study show that conoscopic images may serve as a sensitive indicator of the structural state of SBN crystals related to the effects of stress-induced change of optical anisotropy and temperature dependent birefringence parameters.

  20. Thermal conductivity of niobium single crystals in a magnetic field

    International Nuclear Information System (INIS)

    Gladun, C.; Vinzelberg, H.

    1980-01-01

    The thermal conductivity in longitudinal magnetic fields up to 5 T and in the temperature range 3.5 to 15 K is measured in two high purity niobium single crystals having residual resistivity ratios of 22700 and 19200 and orientations of the rod axis [110] and [100]. The investigations show that by means of the longitudinal magnetic field the thermal conductivity may decrease only to a limiting value. In the crystal directions [110] and [100] for the ratio of the thermal conductivity in zero field and the thermal conductivity in the saturation field the temperature-independent factors 1.92 and 1.27, respectively, are determined. With the aid of these factors the thermal conductivity in the normal state is evaluated from the measured values of thermal conductivity below Tsub(c) in the magnetic field. The different conduction and scattering mechanisms are discussed. (author)

  1. Preparation of high purity yttrium single crystals by electrotransport

    International Nuclear Information System (INIS)

    Volkov, V.T.; Nikiforova, T.V.; Ionov, A.M.; Pustovit, A.N.; Sikharulidse, G.G.

    1981-01-01

    The possibility of obtaining yttrium crystals of high purity by the method of solid state electrotransport (SSE) was investigated in the present work. The behaviour of low contents of iron, aluminium, silicon, tantalum, copper, silver and vanadium as metallic impurities was studied using mass spectrometry. It is shown that all the impurities investigated, except copper, migrate to the anode. During electrotransfer a purification with respect to these impurities by a factor of 4 - 6 is obtained. It is proposed that the diffusion coefficients of the metallic impurities investigated are anomalously high and that the behaviour of the impurities during SSE in adapters necessitates further investigation. By using a three-stage process with intermediate removal of the anode end yttrium single crystals with a resistance ratio rho 293 /rhosub(4.2)=570 were produced. (Auth.)

  2. Importance of crystal orientation in linear friction joining of single crystal to polycrystalline nickel-based superalloys

    International Nuclear Information System (INIS)

    Karadge, M.; Preuss, M.; Withers, P.J.; Bray, S.

    2008-01-01

    Effects of crystal orientation on weldability and microstructural evolution occurring during linear friction joining of single crystal nickel-base superalloy to polycrystalline nickel-base superalloy were studied. Electron microscopy was used to characterize deformation and microstructural development. Changes in friction coefficient with changes in crystal orientation were observed and correlated to the metallurgical adhesion. These changes were explained by taking into consideration the single crystal deformation mechanisms. It was concluded that the orientation of the single crystal with reference to the principal axes of the pressure force is of utmost importance during linear friction welding (LFW) due to changes in orientation of the primary slip system in the fcc-based single crystal lattice

  3. Magnetic order of Nd5Pb3 single crystals

    Science.gov (United States)

    Yan, J.-Q.; Ochi, M.; Cao, H. B.; Saparov, B.; Cheng, J.-G.; Uwatoko, Y.; Arita, R.; Sales, B. C.; Mandrus, D. G.

    2018-04-01

    We report millimeter-sized Nd5Pb3 single crystals grown out of a Nd-Co flux. We experimentally study the magnetic order of Nd5Pb3 single crystals by measuring the anisotropic magnetic properties, electrical resistivity under high pressure up to 8 GPa, specific heat, and neutron single crystal diffraction. Two successive magnetic orders are observed at T N1  =  44 K and T N2  =  8 K. The magnetic cells can be described with a propagation vector k=(0.5, 0, 0) . Cooling below T N1, Nd1 and Nd3 order forming ferromagnetic stripes along the b-axis, and the ferromagnetic stripes are coupled antiferromagnetically along the a-axis for the k=(0.5, 0, 0) magnetic domain. Cooling below T N2, Nd2 orders antiferromagnetically to nearby Nd3 ions. All ordered moments align along the crystallographic c-axis. The magnetic order at T N1 is accompanied by a quick drop of electrical resistivity upon cooling and a lambda-type anomaly in the temperature dependence of specific heat. At T N2, no anomaly was observed in electrical resistivity but there is a weak feature in specific heat. The resistivity measurements under hydrostatic pressures up to 8 GPa suggest a possible phase transition around 6 GPa. Our first-principles band structure calculations show that Nd5Pb3 has the same electronic structure as does Y5Si3 which has been reported to be a one-dimensional electride with anionic electrons that do not belong to any atom. Our study suggests that R 5Pb3 (R  =  rare earth) can be a materials playground for the study of magnetic electrides. This deserves further study after experimental confirmation of the presence of anionic electrons.

  4. Depressurization amorphization of single-crystal boron carbide.

    Science.gov (United States)

    Yan, X Q; Tang, Z; Zhang, L; Guo, J J; Jin, C Q; Zhang, Y; Goto, T; McCauley, J W; Chen, M W

    2009-02-20

    We report depressurization amorphization of single-crystal boron carbide (B4C) investigated by in situ high-pressure Raman spectroscopy. It was found that localized amorphization of B4C takes place during unloading from high pressures, and nonhydrostatic stresses play a critical role in the high-pressure phase transition. First-principles molecular dynamics simulations reveal that the depressurization amorphization results from pressure-induced irreversible bending of C-B-C atomic chains cross-linking 12 atom icosahedra at the rhombohedral vertices.

  5. Single Molecule Studies on Dynamics in Liquid Crystals

    Directory of Open Access Journals (Sweden)

    Daniela Täuber

    2013-09-01

    Full Text Available Single molecule (SM methods are able to resolve structure related dynamics of guest molecules in liquid crystals (LC. Highly diluted small dye molecules on the one hand explore structure formation and LC dynamics, on the other hand they report about a distortion caused by the guest molecules. The anisotropic structure of LC materials is used to retrieve specific conformation related properties of larger guest molecules like conjugated polymers. This in particular sheds light on organization mechanisms within biological cells, where large molecules are found in nematic LC surroundings. This review gives a short overview related to the application of highly sensitive SM detection schemes in LC.

  6. Aluminum-rich mesoporous MFI - type zeolite single crystals

    DEFF Research Database (Denmark)

    Kustova, Marina; Kustov, Arkadii; Christensen, Christina Hviid

    2005-01-01

    are characterized by X-ray powder diffraction (XRD), scanning electron microscopy (SEM), ammonia temperature programmed desorption (NH3-TPD), and N-2 adsorption measurements. The obtained zeolites combine the high crystallinity and the characteristic micropores of zeolites with an intracrystalline mesopore system....... With this technique, only zeolites with relatively low Al contents were reported (Si/Al ratio about 100). In this work, the preparation of aluminum-rich mesoporous MFI-type zeolite single crystals (Si/Al similar to 16-50) using aluminum isopropoxide as the aluminum Source is reported for the first time. All samples...

  7. EPR studies of gamma-irradiated taurine single crystals

    International Nuclear Information System (INIS)

    Bulut, A.; Karabulut, B.; Tapramaz, R.; Koeksal, F.

    2000-01-01

    An EPR study of gamma-irradiated taurine [C 2 H 7 NO 3 S] single crystal was carried out at room temperature. The EPR spectra were recorded in the three at mutually perpendicular planes. There are two magnetically distinct sites in monoclinic lattice. The principle values of g and hyperfine constants for both sites were calculated. The results have indicated the presence of 32 SO - 2 and 33 SO - 2 radicals. The hyperfine values of 33 SO - 2 radical were used to obtain O-S-O bond angle for both sites

  8. EPR studies of gamma-irradiated taurine single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Bulut, A. E-mail: abulut@samsun.omu.edu.tr; Karabulut, B.; Tapramaz, R.; Koeksal, F

    2000-04-01

    An EPR study of gamma-irradiated taurine [C{sub 2}H{sub 7}NO{sub 3}S] single crystal was carried out at room temperature. The EPR spectra were recorded in the three at mutually perpendicular planes. There are two magnetically distinct sites in monoclinic lattice. The principle values of g and hyperfine constants for both sites were calculated. The results have indicated the presence of {sup 32}SO{sup -}{sub 2} and {sup 33}SO{sup -}{sub 2} radicals. The hyperfine values of {sup 33}SO{sup -}{sub 2} radical were used to obtain O-S-O bond angle for both sites.

  9. EPR studies of gamma-irradiated taurine single crystals

    Science.gov (United States)

    Bulut, A.; Karabulut, B.; Tapramaz, R.; Köksal, F.

    2000-04-01

    An EPR study of gamma-irradiated taurine [C 2H 7NO 3S] single crystal was carried out at room temperature. The EPR spectra were recorded in the three at mutually perpendicular planes. There are two magnetically distinct sites in monoclinic lattice. The principle values of g and hyperfine constants for both sites were calculated. The results have indicated the presence of 32ṠO -2 and 33ṠO -2 radicals. The hyperfine values of 33ṠO -2 radical were used to obtain O-S-O bond angle for both sites.

  10. Lattice effects in HoVo3 single crystal

    International Nuclear Information System (INIS)

    Sikora, M.; Marquina, C.; Ibarra, M.R.; Nugroho, A.A.; Palstra, T.T.M.

    2007-01-01

    We report the study of lattice effects in the Mott insulator HoVO 3 performed by means of linear thermal expansion on a single crystal in the temperature range 10-290 K. The holmium orthovanadate HoVO 3 reveals gradual orbital ordering (OO) below T OO =200 K and orders antiferromagnetically at T N =113 K. A first-order structural phase transition takes place at T S ∼38 K, which is probably accompanied by change of the OO type and hence the type of antiferromagnetic spin ordering

  11. Single molecule studies on dynamics in liquid crystals.

    Science.gov (United States)

    Täuber, Daniela; von Borczyskowski, Christian

    2013-09-26

    Single molecule (SM) methods are able to resolve structure related dynamics of guest molecules in liquid crystals (LC). Highly diluted small dye molecules on the one hand explore structure formation and LC dynamics, on the other hand they report about a distortion caused by the guest molecules. The anisotropic structure of LC materials is used to retrieve specific conformation related properties of larger guest molecules like conjugated polymers. This in particular sheds light on organization mechanisms within biological cells, where large molecules are found in nematic LC surroundings. This review gives a short overview related to the application of highly sensitive SM detection schemes in LC.

  12. Point defects in electron-irradiated oxide single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Caulfield, K.J.; Cooper, R. [Univ. of Melbourne, Parkville, Victoria (Australia). Dept. of Chemistry; Boas, J.F. [Australian Radiation Lab., Yallambie, Victoria (Australia)

    1995-04-01

    Point defects have been produced in CaO, MgO, and {alpha}-Al{sub 2}O{sub 3} single crystals by electron irradiation, and thresholds for atomic displacement have been measured using time-resolved luminescence spectroscopy. Oxygen displacement energies of approximately 50 eV have been determined; however, a temperature-dependent threshold observed for an emission band in MgO may arise from a magnesium displacement. A 300-nm emission in {alpha}-Al{sub 2}O{sub 3} may be due to an F-center transition. Studies of radiative recombination kinetics are consistent with an electron-detrapping model.

  13. Thermal conductivity of bulk GaN single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Jezowski, A.; Stachowiak, P.; Suski, T.; Krukowski, S.; Bockowski, M.; Grzegory, I.; Danilchenko, B

    2003-05-01

    We have measured thermal conductivity, {kappa}, in the wide temperature range 4-300 K of GaN bulk single crystals grown by high-pressure, high-temperature synthesis. Obtained results (1600 W/Km at 45 K) are the highest {kappa} values reported on GaN material. At the room temperature {kappa} is about 210 W/Km. The contributions to the GaN thermal resistance of Umklapp process, mass point defects as well as phonon scattering on dislocations and sample boundary are discussed.

  14. Defect sensitive etching of hexagonal boron nitride single crystals

    Science.gov (United States)

    Edgar, J. H.; Liu, S.; Hoffman, T.; Zhang, Yichao; Twigg, M. E.; Bassim, Nabil D.; Liang, Shenglong; Khan, Neelam

    2017-12-01

    Defect sensitive etching (DSE) was developed to estimate the density of non-basal plane dislocations in hexagonal boron nitride (hBN) single crystals. The crystals employed in this study were precipitated by slowly cooling (2-4 °C/h) a nickel-chromium flux saturated with hBN from 1500 °C under 1 bar of flowing nitrogen. On the (0001) planes, hexagonal-shaped etch pits were formed by etching the crystals in a eutectic mixture of NaOH and KOH between 450 °C and 525 °C for 1-2 min. There were three types of pits: pointed bottom, flat bottom, and mixed shape pits. Cross-sectional transmission electron microscopy revealed that the pointed bottom etch pits examined were associated with threading dislocations. All of these dislocations had an a-type burgers vector (i.e., they were edge dislocations, since the line direction is perpendicular to the [ 2 11 ¯ 0 ]-type direction). The pit widths were much wider than the pit depths as measured by atomic force microscopy, indicating the lateral etch rate was much faster than the vertical etch rate. From an Arrhenius plot of the log of the etch rate versus the inverse temperature, the activation energy was approximately 60 kJ/mol. This work demonstrates that DSE is an effective method for locating threading dislocations in hBN and estimating their densities.

  15. Ferroelectric substrate effects on the magnetism, magnetotransport, and electroresistance of La0.7Ca0.3MnO3 thin films on BaTiO3

    OpenAIRE

    Alberca, A.; Munuera, C.; Tornos, J.; Mompean, F. J.; Biskup, N.; Ruiz, Amalia; Nemes, N. M.; Andrés, Alicia de; León, Carlos; Santamaría, Jacobo; García-Hernández, M.

    2012-01-01

    La 0.7Ca 0.3MnO 3 optimally doped epitaxial films were grown on ferroelectric BaTiO 3 substrates. Electronic transport (magnetoresistance and electroresistance) and magnetic properties showed important anomalies in the temperature interval between 60 and 150 K, below the metal-insulator transition. Scanning probe microscopy revealed changes in BaTiO 3 surface morphology at those temperatures. La 0.7Ca 0.3MnO 3 thickness is a critical factor: 120-thick films showed large anomalies sensitive to...

  16. Synthesis and Single Crystal X-Ray Structure Determination of 3,3',5 ...

    African Journals Online (AJOL)

    Single crystal structure determination at 100 K revealed needle-like crystals in an orthorhombic crystal system. The asymmetric unit of the cell consists of an isolated chloride ion, one half of a tetrahedral [MnCl4]2- anion, a [H2Me4bpz]2+ dication and one half of a molecule of water. Keywords: Crystal Engineering, Hydrogen ...

  17. Investigation on the bulk growth of α-LiIO 3 single crystals and the ...

    Indian Academy of Sciences (India)

    2017-07-26

    Jul 26, 2017 ... Herein, we investigate to grow bulk size good quality crystals of α-LiIO3 based on the observed problems during its crystallization process. A systematic investigation was carried out to find the effect of pH on solubility, crystal growth, structural, surface and laser damage properties of α-LiIO3 single crystals.

  18. Thermally reversible single-crystal to single-crystal transformation of mononuclear to dinuclear Zn(II) complexes by [2+2] cycloaddition reaction.

    Science.gov (United States)

    Medishetty, Raghavender; Yap, Terence Teck Sheng; Koh, Lip Lin; Vittal, Jagadese J

    2013-10-25

    Two Zn(II) complexes of trans-4-styrylpyridine ligands undergo [2+2] cycloaddition reaction forming Zn(II) complex dimers in a single-crystal to single-crystal (SCSC) manner which were thermally reversible. The dimers are presumed to be the stable intermediates in the formation of 1D coordination polymers upon prolonged exposure to UV light.

  19. CH3NH3PbCl3 Single Crystals: Inverse Temperature Crystallization and Visible-Blind UV-Photodetector

    KAUST Repository

    Maculan, Giacomo

    2015-09-02

    Single crystals of hybrid perovskites have shown remarkably improved physical properties compared to their polycrystalline film counterparts, underscoring their importance in the further development of advanced semiconductor devices. Here we present a new method of sizeable CH3NH3PbCl3 single crystal growth based on retrograde solubility behavior of hybrid perovskites. We show, for the first time, the energy band structure, charge-carrier recombination and transport properties of single crystal CH3NH3PbCl3. The chloride-based perovskite crystals exhibit trap-state density, charge carriers concentration, mobility and diffusion length comparable with the best quality crystals of methylammonium lead iodide or bromide perovskites reported so far. The high quality of the crystal along with its suitable optical bandgap enabled us to design and build an efficient visible-blind UV-photodetector, demonstrating the potential of this material to be employed in optoelectronic applications.

  20. Temperature dependence of magnetoresistance in copper single crystals

    Science.gov (United States)

    Bian, Q.; Niewczas, M.

    2018-03-01

    Transverse magnetoresistance of copper single crystals has been measured in the orientation of open-orbit from 2 K to 20 K for fields up to 9 T. The experimental Kohler's plots display deviation between individual curves below 16 K and overlap in the range of 16 K-20 K. The violation of the Kohler's rule below 16 K indicates that the magnetotransport can not be described by the classical theory of electron transport on spherical Fermi surface with a single relaxation time. A theoretical model incorporating two energy bands, spherical and cylindrical, with different relaxation times has been developed to describe the magnetoresistance data. The calculations show that the electron-phonon scattering rates at belly and neck regions of the Fermi surface have different temperature dependencies, and in general, they do not follow T3 law. The ratio of the relaxation times in belly and neck regions decreases parabolically with temperature as A - CT2 , with A and C being constants.

  1. Strength and deformation of shocked diamond single crystals: Orientation dependence

    Science.gov (United States)

    Lang, J. M.; Winey, J. M.; Gupta, Y. M.

    2018-03-01

    Understanding and quantifying the strength or elastic limit of diamond single crystals is of considerable scientific and technological importance, and has been a subject of long standing theoretical and experimental interest. To examine the effect of crystalline anisotropy on strength and deformation of shocked diamond single crystals, plate impact experiments were conducted to measure wave profiles at various elastic impact stresses up to ˜120 GPa along [110] and [111] crystal orientations. Using laser interferometry, particle velocity histories and shock velocities in the diamond samples were measured and were compared with similar measurements published previously for shock compression along the [100] direction. Wave profiles for all three orientations showed large elastic wave amplitudes followed by time-dependent inelastic deformation. From the measured wave profiles, the elastic limits were determined under well characterized uniaxial strain loading conditions. The measured elastic wave amplitudes for the [110] and [111] orientations were lower for higher elastic impact stress (stress attained for an elastic diamond response), consistent with the result reported previously for [100] diamond. The maximum resolved shear stress (MRSS) on the {111}⟨110⟩ slip systems was determined for each orientation, revealing significant orientation dependence. The MRSS values for the [100] and [110] orientations (˜33 GPa) are 25%-30% of theoretical estimates; the MRSS value for the [111] orientation is significantly lower (˜23 GPa). Our results demonstrate that the MRSS depends strongly on the stress component normal to the {111} planes or the resolved normal stress (RNS), suggesting that the RNS plays a key role in inhibiting the onset of inelastic deformation. Lower elastic wave amplitudes at higher peak stress and the effect of the RNS are inconsistent with typical dislocation slip mechanisms of inelastic deformation, suggesting instead an inelastic response

  2. Joint Development of a Fourth Generation Single Crystal Superalloy

    Science.gov (United States)

    Walston, S.; Cetel, A.; MacKay, R.; OHara, K.; Duhl, D.; Dreshfield, R.

    2004-01-01

    A new, fourth generation, single crystal superalloy has been jointly developed by GE Aircraft Engines, Pratt & Whitney, and NASA. The focus of the effort was to develop a turbine airfoil alloy with long-term durability for use in the High Speed Civil Transport. In order to achieve adequate long-time strength improvements at moderate temperatures and retain good microstructural stability, it was necessary to make significant composition changes from 2nd and 3rd generation single crystal superalloys. These included lower chromium levels, higher cobalt and rhenium levels and the inclusion of a new alloying element, ruthenium. It was found that higher Co levels were beneficial to reducing both TCP precipitation and SRZ formation. Ruthenium caused the refractory elements to partition more strongly to the ' phase, which resulted in better overall alloy stability. The final alloy, EPM 102, had significant creep rupture and fatigue improvements over the baseline production alloys and had acceptable microstructural stability. The alloy is currently being engine tested and evaluated for advanced engine applications.

  3. Ultrafast dynamic response of single crystal β-HMX

    Science.gov (United States)

    Zaug, Joseph M.; Armstrong, Michael R.; Crowhurst, Jonathan C.; Radousky, Harry B.; Ferranti, Louis; Swan, Raymond; Gross, Rick; Teslich, Nick E.; Wall, Mark A.; Austin, Ryan A.; Fried, Laurence E.

    2017-01-01

    We report results from ultrafast compression experiments conducted on β-HMX single crystals. Results consist of nominally 12 picosecond time-resolved wave profile data, (ultrafast time domain interferometry -TDI measurements), that were analyzed to determine high-velocity wave speeds as a function of piston velocity. TDI results are used to validate calculations of anisotropic stress-strain behavior of shocked loaded energetic materials. Our previous results derived using a 350 ps duration compression drive revealed anisotropic elastic wave response in single crystal β-HMX from (110) and (010) impact planes. Here we present results using a 1.05 ns duration compression drive with a 950 ps interferometry window to extend knowledge of the anisotropic dynamic response of β-HMX within eight microns of the initial impact plane. We observe two distinct wave profiles from (010) and three wave profiles from (010) impact planes. The (110) impact plane wave speeds typically exceed (010) impact plane wave speeds at the same piston velocities. The development of multiple hydrodynamic wave profiles begins at 20 GPa for the (110) impact plane and 28 GPa for the (10) impact plane. We compare our ultrafast TDI results with previous gun and plate impact results on β-HMX and PBX9501.

  4. Steps to detect catalytic ethylene oxide formation on single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Boecklein, Sebastian; Guenther, Sebastian; Reichelt, Robert; Seibald, Markus; Preimesser, Andreas; Ehrensberger, Martin; Rozsa, Gergely; Wintterlin, Joost [Ludwig-Maximilians-Universitaet, 81377 Muenchen (Germany)

    2010-07-01

    As part of a project to bridge the ''pressure gap'' for the catalytic synthesis of ethylene oxide (EtO) on Ag surfaces we have undertaken extensive studies in a model reactor. The investigations aimed at finding conditions under which the production of EtO can be unambiguously and quantitatively detected on single crystal Ag surfaces, a challenging task because of the extremely low ethylene-to-EtO reaction probability. The experiments were performed in a specially designed reactor, and they involved the variation of partial pressures, temperature, and type of Ag samples (powders and polycrystalline sheets), and great effort was expended for proper background subtraction. We find that for the sheets an essential ingredient is an activation treatment by annealing in oxygen, which raises the activity by more than one order of magnitude. There are indications that subsurface O atoms are created by this pretreatment. The maximum values obtained for activity, selectivity, yield, and reaction probability allow us to predict that EtO produced on a single Ag crystal can indeed be detected under flow conditions in a UHV chamber. Experiments on the deactivation show that sintering plays an important role for the dispersed samples, but that there is an additional deactivation process for the sheets that is not caused by sintering or poisoning.

  5. Single-crystal study on the heavy-fermion antiferromagnet UZn12

    NARCIS (Netherlands)

    Gonçalves, A.P.; Estrela, P.; de Visser, A.; Lopes, E.B.; Catarino, I.; Bonfait, G.; Godinho, M.; Almeida, M.; Gnida, D.; Kaczorowski, D.

    2011-01-01

    Millimetre size UZn12 single crystals were grown by the high temperature solution growth method using zinc as the solvent. Single-crystal x-ray diffraction data confirm that this compound crystallizes in the hexagonal high temperature form of SmZn12 (S.G. P6/mmm) and points to a U1.01(1)Zn11.7(1)

  6. Strain gradient crystal plasticity analysis of a single crystal containing a cylindrical void

    DEFF Research Database (Denmark)

    Borg, Ulrik; Kysar, J.W.

    2007-01-01

    The effects of void size and hardening in a hexagonal close-packed single crystal containing a cylindrical void loaded by a far-field equibiaxial tensile stress under plane strain conditions are studied. The crystal has three in-plane slip systems oriented at the angle 60 degrees with respect...... plasticity formulation. The stress and deformation fields obtained with a local non-hardening constitutive formulation are compared to those obtained from a local hardening formulation and to those from a non-local formulation. Compared to the case of the non-hardening local constitutive formulation......, it is shown that a local theory with hardening has only minor effects on the deformation field around the void, whereas a significant difference is obtained with the non-local constitutive relation. Finally, it is shown that the applied stress state required to activate plastic deformation at the void is up...

  7. Imatinib (Gleevec@) conformations observed in single crystals, protein-Imatinib co-crystals and molecular dynamics: Implications for drug selectivity

    Science.gov (United States)

    Golzarroshan, B.; Siddegowda, M. S.; Li, Hong qi; Yathirajan, H. S.; Narayana, B.; Rathore, R. S.

    2012-06-01

    Structure and dynamics of the Leukemia drug, Imatinib, were examined using X-ray crystallography and molecular dynamics studies. Comparison of conformations observed in single crystals with several reported co-crystals of protein-drug complexes suggests existence of two conserved conformations of Imatinib, extended and compact (or folded), corresponding to two binding modes of interaction with the receptor. Furthermore, these conformations are conserved throughout a dynamics simulation. The present study attempts to draw a parallel on conformations and binding patterns of interactions, obtained from small-molecule single-crystal and macromolecule co-crystal studies, and provides structural insights for understanding the high selectivity of this drug molecule.

  8. Microstructure, Piezoelectric, and Ferroelectric Properties of BZT-Modified BiFeO3-BaTiO3 Multiferroic Ceramics with MnO2 and CuO Addition

    Science.gov (United States)

    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.

  9. Crystal growth, structural, thermal and mechanical behavior of L-arginine 4-nitrophenolate 4-nitrophenol dihydrate (LAPP) single crystals

    Science.gov (United States)

    Mahadevan, M.; Ramachandran, K.; Anandan, P.; Arivanandhan, M.; Bhagavannarayana, G.; Hayakawa, Y.

    2014-12-01

    Single crystals of L-arginine 4-nitrophenolate 4-nitrophenol dihydrate (LAPP) have been grown successfully from the solution of L-arginine and 4-nitrophenol. Slow evaporation of solvent technique was adopted to grow the bulk single crystals. Single crystal X-ray diffraction analysis confirms the grown crystal has monoclinic crystal system with space group of P21. Powder X-ray diffraction analysis shows the good crystalline nature. The crystalline perfection of the grown single crystals was analyzed by HRXRD by employing a multicrystal X-ray diffractometer. The functional groups were identified from proton NMR spectroscopic analysis. Linear and nonlinear optical properties were determined by UV-Vis spectrophotometer and Kurtz powder technique respectively. It is found that the grown crystal has no absorption in the green wavelength region and the SHG efficiency was found to be 2.66 times that of the standard KDP. The Thermal stability of the crystal was found by obtaining TG/DTA curve. The mechanical behavior of the grown crystal has been studied by Vicker's microhardness method.

  10. Ignition and growth modeling of detonation reaction zone experiments on single crystals of PETN and HMX

    Science.gov (United States)

    White, Bradley W.; Tarver, Craig M.

    2017-01-01

    It has long been known that detonating single crystals of solid explosives have much larger failure diameters than those of heterogeneous charges of the same explosive pressed or cast to 98 - 99% theoretical maximum density (TMD). In 1957, Holland et al. demonstrated that PETN single crystals have failure diameters of about 8 mm, whereas heterogeneous PETN charges have failure diameters of less than 0.5 mm. Recently, Fedorov et al. quantitatively determined nanosecond time resolved detonation reaction zone profiles of single crystals of PETN and HMX by measuring the interface particle velocity histories of the detonating crystals and LiF windows using a PDV system. The measured reaction zone time durations for PETN and HMX single crystal detonations were approximately 100 and 260 nanoseconds, respectively. These experiments provided the necessary data to develop Ignition and Growth (I&G) reactive flow model parameters for the single crystal detonation reaction zones. Using these parameters, the calculated unconfined failure diameter of a PETN single crystal was 7.5 +/- 0.5 mm, close to the 8 mm experimental value. The calculated failure diameter of an unconfined HMX single crystal was 15 +/- 1 mm. The unconfined failure diameter of an HMX single crystal has not yet been determined precisely, but Fedorov et al. detonated 14 mm diameter crystals confined by detonating a HMX-based plastic bonded explosive (PBX) without initially overdriving the HMX crystals.

  11. Size effect on the dielectric properties of BaTiO3 nanoceramics in a modified Ginsburg-Landau-Devonshire thermodynamic theory

    Science.gov (United States)

    Lin, Shan; Lü, Tianquan; Jin, Changqing; Wang, Xiaohui

    2006-10-01

    Grain size effects on the dielectric properties of BaTiO3 nanoceramics have been studied by using the modified Ginsburg-Landau-Devonshire (GLD) thermodynamic theory. Considering the existence of internal stresses, it is found that with decreasing grain size the transition temperature of cubic-tetragonal phase decreases, while those of tetragonal-orthorhombic and orthorhombic-rhombohedral phases increase. With further reducing grain size, our model predicts that the two ferroelectric structures of orthorhombic and tetragonal phases will become unstable and disappear at a critical size, leaving only one stable ferroelectric phase of rhombohedral structure. Consequently, a theoretical phase diagram of the transition temperature versus grain size is established wherein two triple points and a reentrance behavior are indicated. The results are compared with experimental data.

  12. Theoretical Study of the BaTiO3 Powder’s Volume Ratio’s Influence on the Output of Composite Piezoelectric Nanogenerator

    Directory of Open Access Journals (Sweden)

    Xi Zhou

    2017-06-01

    Full Text Available The combination of the piezoelectric materials and polymer is an effective way to make the piezoelectric nanogenerator (PENG possess both the polymer’s good flexibility and ferroelectric material’s high piezoelectric coefficient. The volume ratio of ferroelectric material in the composite is an important factor that determines the PENG’s output performance. In this paper, the BaTiO3/polydimethylsiloxane (PDMS composite PENG was demonstrated as having an optimal volume ratio (46% at which the PENG can output its highest voltage, and this phenomenon can be ascribed to the trade-off between the composite PENG’s top electrode charge and its capacitance. These results are of practical importance for the composite PENG’s performance optimization.

  13. Induced Ti magnetization at La0.7Sr0.3MnO3 and BaTiO3 interfaces

    Directory of Open Access Journals (Sweden)

    Yaohua Liu

    2016-04-01

    Full Text Available In artificial multiferroics hybrids consisting of ferromagnetic La0.7Sr0.3MnO3 (LSMO and ferroelectric BaTiO3 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. 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.

  14. Shell model for BaTiO3-Bi(Zn1/2Ti1/2)O3 perovskite solid solutions

    Science.gov (United States)

    Vielma, J.; Jackson, D.; Roundy, D.; Schneider, G.

    2010-03-01

    Even though the composition of BaTiO3-Bi(Zn1/2Ti1/2)O3 perovskite solid solutions is similar to other ferroelectric compounds, the dielectric response is unusual. Results of permittivity measurements as a function of temperature show a diffuse phase transition indicative of a weakly coupled relaxor behavior.footnotetextC. C. Huang and D. P. Cann, J. Appl. Phys. 104, 024117 (2008) To investigate the weakly coupled relaxor behavior in these materials at intermediate length scales we are developing a newly calibrated shell model based on first-principles supercell calculations of both the solid solution and its compositional endpoints. Initial results for its phase diagram will presented.

  15. Relationship between tolerance factor and temperature coefficient of permittivity of temperature-stable high permittivity BaTiO3–Bi(MeO3 compounds

    Directory of Open Access Journals (Sweden)

    Natthaphon Raengthon

    2016-03-01

    Full Text Available The temperature coefficient of permittivity (TCε of BaTiO3–Bi(MeO3 solid solutions were investigated. It was determined that as the tolerance factor was decreased with the addition of Bi(MeO3, the TCε shifted from large negative values to TCε values approaching zero. It is proposed that the different bonding nature of the dopant cation affects the magnitude and temperature stability of the permittivity. This study suggests that the relationship between tolerance factor and TCε can be used as a guide to design new dielectric compounds exhibiting temperature-stable high permittivity characteristics, which is similar to past research on perovskite and pyrochlore-based microwave dielectrics.

  16. Mössbauer study of Fe-doped BaTiO3 of different grain sizes induced by ball mill technique

    Science.gov (United States)

    Banerjee, A.; Das, A.; Das, D.; Saha, A.; Sarkar, S.

    2018-03-01

    Fe-doped BaTiO3 has been prepared by the solid state reaction method. Nanonization of sample has been achieved by using high energy ball milling. Tetragonal phase along with a small amount of hexagonal phase has been identified by room temperature X-ray diffraction (XRD) technique in all the samples. Mössbauer spectrum of the as-prepared sample shows multi-site substitution of Fe atoms. Magnetic interactions between Fe atoms placed at three different configurations have been evidenced by the presence of three sextets. A doublet pattern has also been observed for Fe atoms situated in isolate manner without any magnetic exchange. Suppression of sextet patterns in milled samples has been attributed to the presence of superparamagnetism.

  17. Structure, electric properties and positron annihilation studies of CuZnFe2O4 doped with BaTiO3

    Science.gov (United States)

    Hemeda, O. M.; Mahmoud, K. R.; Sharshar, T.

    2014-08-01

    Composite materials of spinel CuZnFe2O4 ferrite (CZF) and barium titanate BaTiO3 (BT) were prepared by using the high-energy ball milling technique. The X-ray diffraction (XRD) patterns of the composite system confirmed the composite preparation with two piezomagnetic and piezoelectric phases. The results of scanning electron microscope (SEM) measurements show a nearly homogeneous microstructure with good dispersion of BT grains as well as the presence of some pores. The positron annihilation lifetime (PAL) is used to probe the defects and structural changes of the BT-CZF composites. The PAL parameters ( , I1, , I2 and mean lifetime) show that the doped BT content affects the size and concentration of the vacant type defects.

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

    Science.gov (United States)

    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.

  19. Growth and characterization of 2-methylquinolinium L-malate single crystal

    Science.gov (United States)

    Bharathi, M. Divya; Ahila, G.; Mohana, J.; Anbalagan, G.

    2017-05-01

    An organic nonlinear optical single crystal, 2-methylquinolinium L-malate (MLM) was grown from ethanol solvent using slow evaporation solution growth technique. The single crystal X-ray diffraction studies confirmed that the crystal belongs to the monoclinic system with the non-centrosymmetric space group P21. The crystal is transparent in the entire visible region. The second harmonic generation efficiency of the grown crystal has been obtained by the Kurtz-Perry powder technique. The laser damage threshold value 5.58 GW/cm2 indicates that this crystal can be used for high-power laser applications.

  20. Luminescence Properties of ScPO{sub 4} Single Crystals

    Energy Technology Data Exchange (ETDEWEB)

    Boatner, L.A.; Trukhin, A.N.

    1999-08-16

    Flux-grown ScPO{sub 4} single crystals exhibit a number of luminescence bands in their x-ray-excited luminescence spectra - including sharp lines arising from rare-earth elements plus a number of broad bands at 5.6 cV, 4.4 eV, and 3 eV. The band at 5.6 eV was attributed to a self-trapped exciton (STE) [l], and it could be excited at 7 eV and higher energies. This luminescence is strongly polarized (P = 70 %) along the optical axes of the crystal and exhibits a kinetic decay time constant that varies from several ns at room temperature to {approximately}10 {micro}s at 60 K and up to {approximately}1 ms at 10 K. It is assumed that the STE is localized on the SC ions. The band at 3 eV can be excited in the range of the ScPO{sub 4} crystal transparency (decay time = 3 to 4 {micro}s.) This band is attributed to a lead impurity that creates different luminescence centers. At high temperatures, the band at 4.4 eV is dominant in the x-ray-excited TSL and afterglow spectra. Its intensity increases with irradiation time beginning at zero at the initial irradiation time. The 4.4 eV band does not appear in a fast process under a pulsed electron beam, showing that accumulation is necessary for its observation. A sample of ScPO{sub 4} doped with vanadium exhibited a prevalent band at 4.4 eV at T = 480 K.

  1. Interplay between size, composition, and phase transition of nanocrystalline Cr(3+)-doped BaTiO3 as a path to multiferroism in perovskite-type oxides.

    Science.gov (United States)

    Ju, Ling; Sabergharesou, Tahereh; Stamplecoskie, Kevin G; Hegde, Manu; Wang, Ting; Combe, Nicole A; Wu, Hongyu; Radovanovic, Pavle V

    2012-01-18

    Multiferroics, materials that exhibit coupling between spontaneous magnetic and electric dipole ordering, have significant potential for high-density memory storage and the design of complex multistate memory elements. In this work, we have demonstrated the solvent-controlled synthesis of Cr(3+)-doped BaTiO(3) nanocrystals and investigated the effects of size and doping concentration on their structure and phase transformation using X-ray diffraction and Raman spectroscopy. The magnetic properties of these nanocrystals were studied by magnetic susceptibility, magnetic circular dichroism (MCD), and X-ray magnetic circular dichroism (XMCD) measurements. We observed that a decrease in nanocrystal size and an increase in doping concentration favor the stabilization of the paraelectric cubic phase, although the ferroelectric tetragonal phase is partly retained even in ca. 7 nm nanocrystals having the doping concentration of ca. 5%. The chromium(III) doping was determined to be a dominant factor for destabilization of the tetragonal phase. A combination of magnetic and magneto-optical measurements revealed that nanocrystalline films prepared from as-synthesized paramagnetic Cr(3+)-doped BaTiO(3) nanocrystals exhibit robust ferromagnetic ordering (up to ca. 2 μ(B)/Cr(3+)), similarly to magnetically doped transparent conducting oxides. The observed ferromagnetism increases with decreasing constituent nanocrystal size because of an enhancement in the interfacial defect concentration with increasing surface-to-volume ratio. Element-specific XMCD spectra measured by scanning transmission X-ray microscopy (STXM) confirmed with high spatial resolution that magnetic ordering arises from Cr(3+) dopant exchange interactions. The results of this work suggest an approach to the design and preparation of multiferroic perovskite materials that retain the ferroelectric phase and exhibit long-range magnetic ordering by using doped colloidal nanocrystals with optimized composition and size as functional building blocks. © 2011 American Chemical Society

  2. Obtenção de BaTiO3 livre de resíduos de carbonato de bário pelo método dos precursores poliméricos Obtention of carbonate-free BaTiO3 by the polymeric precursor method

    Directory of Open Access Journals (Sweden)

    S. L. M. Brito

    2011-09-01

    Full Text Available Um dos desafios na preparação de titanato de bário nanométrico é a completa reação dos precursores para a obtenção da fase tetragonal. O método dos precursores poliméricos se mostra bastante eficiente para este fim. Contudo, devido à grande concentração de carbono presente na resina e a grande estabilidade termodinâmica do carbonato de bário, muitas vezes leva a formação de fases intermediárias que necessitam de maiores tempos e temperaturas acima de 900 °C para a obtenção da fase desejada sem resíduos. Além disto, carbonatos podem ser formados na superfície dos pós de BaTiO3 modificando as condições de dispersão em água e do PIE. O objetivo deste trabalho é estabelecer procedimentos de obtenção de BaTiO3 nanométrico através do método Pechini sem carbonatos contaminantes. Um estudo detalhado da química de superfície através de medidas de potencial zeta demonstrou que é possível obter pós nanométricos livres de carbonato de bário pela lavagem dos pós com ácido nítrico.One of the challenges in preparing nanoparticles of barium titanate is the complete reaction of the precursors to obtain the tetragonal phase. The polymeric precursor method has been used as an efficient technique for this purpose. However, due to high concentration of carbon in the resin and the high thermodynamic stability of barium carbonate, there is often a formation of intermediate phases that require calcinations time and temperatures above 900 °C to obtain the desired phase with no residual carbonates. Moreover, carbonates can form on the surface of powdered BaTiO3 modifying the conditions of dispersion in water and IEP. The aim of this study was to establish procedures for obtaining nanosized BaTiO3 powder via Pechini method without carbonate contaminants. A detailed study of surface chemistry through zeta potential measurements showed that it is possible to obtain nanometric powders free of barium carbonate by washing the powder with nitric acid solution.

  3. Studies on crystal growth and physical properties of 4-(dimethylamino)benzaldehyde-2,4-dinitroaniline single crystal

    Science.gov (United States)

    Jebin, R. P.; Suthan, T.; Rajesh, N. P.; Vinitha, G.; Dhas, S. A. Britto

    2016-07-01

    The organic material 4-(dimethylamino)benzaldehyde-2,4-dinitroaniline has been grown by slow evaporation technique. Single crystal and Powder X-ray diffraction studies have been carried out to conform the grown crystal. FTIR and FT-Raman spectra were recorded to identify the functional groups present in the crystal. The optical property of the grown crystal was analysed by UV-Vis-NIR measurement. The thermal property of the grown crystal was analysed by thermogravimetric (TG) and differential thermal analyses (DTA). Thermal diffusivity of the grown crystal was analysed by Photo acoustic spectroscopic (PAS) studies. The third order nonlinear optical properties of 4-(dimethylamino)benzaldehyde-2,4-dinitroaniline was measured by the Z-scan technique using 532 nm diode pumped continuous wave (CW) Nd:YAG laser. The mechanical property of the grown crystal was analysed by using microhardness studies.

  4. Defects induced in cerium dioxide single crystals by electron irradiation

    Science.gov (United States)

    Costantini, Jean-Marc; Miro, Sandrine; Touati, Nadia; Binet, Laurent; Wallez, Gilles; Lelong, Gérald; Guillaumet, Maxime; Weber, William J.

    2018-01-01

    Micro-Raman spectroscopy, X-band electron paramagnetic resonance (EPR) spectroscopy, and UV-visible optical absorption spectroscopy were used to study the damage production in cerium dioxide (CeO2) single crystals by electron irradiation for three energies (1.0, 1.4, and 2.5 MeV). The Raman-active T2g peak was left unchanged after 2.5-MeV electron irradiation at a high fluence. This shows that no structural modifications occurred for the cubic fluorite structure. UV-visible optical absorption spectra exhibited a characteristic sub band-gap tail for 1.4-MeV and 2.5-MeV energies, but not for 1.0 MeV. Narrow EPR lines were recorded near liquid-helium temperature after 2.5-MeV electron irradiation; whereas no such signal was found for the virgin un-irradiated crystal or after 1.0-MeV irradiation for the same fluence. The angular variation of these lines in the {111} plane revealed a weak g-factor anisotropy assigned to Ce3+ ions (with the 4f1 configuration) in a high-symmetry local environment. It is concluded that Ce3+ ions may be produced by a reduction resulting from the displacement damage process. However, no evidence of F+ or F0 center or hole center formation due to irradiation was found from the present EPR and optical absorption spectra.

  5. From Protein Structure to Function via Single Crystal Optical Spectroscopy

    Directory of Open Access Journals (Sweden)

    Luca eRonda

    2015-04-01

    Full Text Available The more than 100.000 protein structures determined by X-ray crystallography provide a wealth of information for the characterization of biological processes at the molecular level. However, several crystallographic artifacts, including conformational selection, crystallization conditions and radiation damages, may affect the quality and the interpretation of the electron density map, thus limiting the relevance of structure determinations. Moreover, for most of these structures no functional data have been obtained in the crystalline state, thus posing serious questions on their validity in the inference for protein mechanisms. In order to solve these issues, spectroscopic methods have been applied for the determination of equilibrium and kinetic properties of proteins in the crystalline state. These methods are UV-vis spectrophotometry, spectrofluorimetry, IR, EPR, Raman and resonance Raman spectroscopy. Some of these approaches have been implemented with on-line instruments at X-ray synchrotron beamlines. Here, we provide an overview of investigations predominantly carried out in our laboratory by single crystal polarized absorption UV-vis microspectrophotometry, the most applied technique for the functional characterization of proteins in the crystalline state. Studies on hemoglobins, pyridoxal 5’-phosphate dependent enzymes and green fluorescent protein in the crystalline state have addressed key biological issues, leading to either straightforward structure-function correlations or limitations to structure-based mechanisms.

  6. Solidification microstructures in single-crystal stainless steel melt pools

    Energy Technology Data Exchange (ETDEWEB)

    Sipf, J.B.; Boatner, L.A.; David, S.A.

    1994-03-01

    Development of microstructure of stationary melt pools of oriented stainless steel single crystals (70%Fe-15%Ni-15%Cr was analyzed. Stationary melt pools were formed by electron-beam and gas-tungsten-arc heating on (001), (011), and (111) oriented planes of the austenitic, fcc-alloy crystals. Characterization and analysis of resulting microstructure was carried out for each crystallographic plane and welding method. Results showed that crystallography which favors ``easy growth`` along the <100> family of directions is a controlling factor in the microstructural formation along with the melt-pool shape. The microstructure was found to depend on the melting method, since each method forms a unique melt-pool shape. These results are used in making a three-dimensional reconstruction of the microstructure for each plane and melting method employed. This investigation also suggests avenues for future research into the microstructural properties of electron-beam welds as well as providing an experimental basis for mathematical models for the prediction of solidification microstructures.

  7. A discrete dislocation dynamics model of creeping single crystals

    Science.gov (United States)

    Rajaguru, M.; Keralavarma, S. M.

    2018-04-01

    Failure by creep is a design limiting issue for metallic materials used in several high temperature applications. Current theoretical models of creep are phenomenological with little connection to the underlying microscopic mechanisms. In this paper, a bottom-up simulation framework based on the discrete dislocation dynamics method is presented for dislocation creep aided by the diffusion of vacancies, known to be the rate controlling mechanism at high temperature and stress levels. The time evolution of the creep strain and the dislocation microstructure in a periodic unit cell of a nominally infinite single crystal is simulated using the kinetic Monte Carlo method, together with approximate constitutive laws formulated for the rates of thermal activation of dislocations over local pinning obstacles. The deformation of the crystal due to dislocation glide between individual thermal activation events is simulated using a standard dislocation dynamics algorithm, extended to account for constant stress periodic boundary conditions. Steady state creep conditions are obtained in the simulations with the predicted creep rates as a function of stress and temperature in good agreement with experimentally reported values. Arrhenius scaling of the creep rates as a function of temperature and power-law scaling with the applied stress are also reproduced, with the values of the power-law exponents in the high stress regime in good agreement with experiments.

  8. Simulations of surface stress effects in nanoscale single crystals

    Science.gov (United States)

    Zadin, V.; Veske, M.; Vigonski, S.; Jansson, V.; Muszinsky, J.; Parviainen, S.; Aabloo, A.; Djurabekova, F.

    2018-04-01

    Onset of vacuum arcing near a metal surface is often associated with nanoscale asperities, which may dynamically appear due to different processes ongoing in the surface and subsurface layers in the presence of high electric fields. Thermally activated processes, as well as plastic deformation caused by tensile stress due to an applied electric field, are usually not accessible by atomistic simulations because of the long time needed for these processes to occur. On the other hand, finite element methods, able to describe the process of plastic deformations in materials at realistic stresses, do not include surface properties. The latter are particularly important for the problems where the surface plays crucial role in the studied process, as for instance, in the case of plastic deformations at a nanovoid. In the current study by means of molecular dynamics (MD) and finite element simulations we analyse the stress distribution in single crystal copper containing a nanovoid buried deep under the surface. We have developed a methodology to incorporate the surface effects into the solid mechanics framework by utilizing elastic properties of crystals, pre-calculated using MD simulations. The method leads to computationally efficient stress calculations and can be easily implemented in commercially available finite element software, making it an attractive analysis tool.

  9. Thermal expansion of C60 single crystals under pressure

    International Nuclear Information System (INIS)

    Grube, K.D.

    1995-12-01

    The thermal expansion and compressibility of C 60 single crystals have been investigated by a newly developed capacitive dilatometer. The dilatometer was integrated in a high pressure cell and exposed to a hydrostatic pressure of maximal 0.85 GPa with He or Ar as pressure transmitting medium. The relative length change of the C 60 -samples was measured with a resolution of ΔL/L∼10 -9 . The crystals consist of weakly bonded C 60 -molecules which can rotate nearly free at room temperature. The gradual freezing-in of the rotational motions leads to a first order phase transition at 260 K and a glass transition at 90 K. The pressure dependence of these transitions was determined in a temperature range from 50 K to 325 K up to a pressure of 0.85 GPa. The phase transition at 260 K shows a positive pressure dependence of 174 K/GPa. The glass transition temperature first increases with 75 K/GPa under pressure, then it jumps discontinuously by 10 K at 0.15 GPa followed by a further increase with a slope of 54 K/GPa. The jump in the glass transition temperature at 0.15 GPa can be explained with an orientation-dependent interaction between the C 60 -molecules. (orig.) [de

  10. Growth and microtopographic study of CuInSe{sub 2} single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Chauhan, Sanjaysinh M.; Chaki, Sunil, E-mail: sunilchaki@yahoo.co.in; Deshpande, M. P. [Department of Physics, Sardar Patel University, Vallabh Vidyanagar, Gujarat - 388120 (India); Tailor, J. P. [Applied Physics Department, S.V.N.I.T., Surat, Gujarat - 395007 (India)

    2016-05-23

    The CuInSe{sub 2} single crystals were grown by chemical vapour transport (CVT) technique using iodine as transporting agent. The elemental composition of the as-grown CuInSe{sub 2} single crystals was determined by energy dispersive analysis of X-ray (EDAX). The unit cell crystal structure and lattice parameters were determined by X-ray diffraction (XRD) technique. The surface microtopographic study of the as-grown CuInSe{sub 2} single crystals surfaces were done to study the defects, growth mechanism, etc. of the CVT grown crystals.

  11. Single crystal growth and X-ray structure analysis of non-peripheral octahexyl phthalocyanine

    Science.gov (United States)

    Ohmori, Masashi; Nakano, Chika; Higashi, Takuya; Miyano, Tetsuya; Tohnai, Norimitsu; Fujii, Akihiko; Ozaki, Masanori

    2016-07-01

    The single-crystal structure of metal-free non-peripheral octahexyl-substituted phthalocyanine (C6PcH2) has been investigated by single-crystal X-ray structure analysis. Two types of C6PcH2 single crystal, bulk and needle crystals, were separately grown by controlling the recrystallization conditions. The structures of the two types of crystal were determined, and were found to be completely different, that is, C6PcH2 exhibits structural polymorphism. It has been clarified that the C6PcH2 microcrystals in thin films used in previously reported electronic devices have the needle structure.

  12. Angular correlation of annihilation photons in ice single crystals

    DEFF Research Database (Denmark)

    Mogensen, O. E.; Kvajic, G.; Eldrup, Morten Mostgaard

    1971-01-01

    -lattice vectors g⃗ on the direction perpendicular to the slits and the sample surface. The relative area of the central plus the side peaks was (15.2 ± 0.4)% for all curves. All the peaks are interpreted as due to parapositronium annihilation. The side peaks are explained as evidence for the positronium center......Linear-slit angular-correlation curves were obtained at - 148 °C for the [0001], [10¯10], and [11¯20] directions in single crystals of ice. Besides the narrow central peak, pronounced narrow side peaks were also observed. They occurred at angles θ=2πℏgz/mc, where gz is the projection of reciprocal...

  13. Phonon interactions with methyl radicals in single crystals

    Directory of Open Access Journals (Sweden)

    James W. Wells

    2017-04-01

    Full Text Available The high temperature ESR spectra’s anomalous appearance at very low temperatures for the methyl radical created in single crystals is explained by magnetic dipole interactions with neighboring protons. These protons acting via phonon vibrations induce resonant oscillations with the methyl group to establish a very temperature sensitive ‘‘relaxation’’ mode that allows the higher energy ‘‘E’’ state electrons with spin 12 to ‘‘decay’’ into ‘‘A’’ spin 12 states. Because of the amplitude amplification with temperature, the ‘‘E’’ state population is depleted and the ‘‘A’’ state population augmented to produce the high temperature ESR spectrum. This phenomenon is found to be valid for all but the very highest barriers to methyl group tunneling. In support, a time dependent spin population study shows this temperature evolution in the state populations under this perturbation.

  14. Non-linear friction in a single crystal of zirconium

    International Nuclear Information System (INIS)

    Ritchie, I.G.; Atrens, A.; Sprungmann, K.W.

    1980-04-01

    Non-linear internal friction phenomena in a single crystal of zirconium are investigated. Both the interactions between dislocations and immobile obstacles and between dislocations and mobile pinning points are involved. It is shown that vibration conditioning and programmed vibration annealing can be used to separate the time-dependent and strain-amplitude-dependent components of the internal friction. An impurity peaking effect has been generated by altering the effective concentration of obstacles by step changes in strain amplitude and vibration conditioning. Repeated thermal cycling at low strain amplitudes, through the terminal solid solubility boundary for hydrogen in zirconium, does not lead to the cumulative increase in dislocation density observed when polycrystalline samples are treated similarly. (auth)

  15. EPR of Mn2+ in strontium tartrate trihydrate single crystals

    International Nuclear Information System (INIS)

    Korkmaz, M.; Aktas, B.

    1985-01-01

    Electron paramagnetic resonance spectra of Mn 2+ doped in single crystals of strontium tartrate trihydrate grown by a diffusion technique are investigated at room temperature. Mn 2+ enters the lattice substitutionally and is trapped at two magnetically equivalent but crystallographically inequivalent sites. The EPR measurements give the following values for the spin-Hamiltonian parameters: g/sub x/(= g/sub y/) = 1.9781, g/sub z/ = 2.0012, A/sub x/(= A/sub y/) = -94.9 x 10 -4 T, A/sub z/ = -96.2 x 10 -4 T, B 0 2 (= D/3) = +160.9 x 10 -4 T, B 2 2 (= E) = +101.2 x 10 -4 T, B 0 4 = +0.013 x 10 -4 T, and B 2 4 = +0.088 x 10 -4 T. (author)

  16. Hydrogen solid solutions in niobium - molybdenum single crystal alloys

    International Nuclear Information System (INIS)

    Silva, J.R.G. da; Ishikawa, T.T.

    1981-01-01

    The temperature variation of the hydrogen solubility in a series of single crystal Nb-Mo alloys ('binary solvents') in equilibrium with the gaseous phase at atmospheric pressure is presented. The partial thermodynamic properties of the intersticially dissolved hydrogen atoms were calculated from of solubility versus temperature curves. The hydrogen solution obeys the quasi-regular model at all the compositions of the investigated alloys. The variation of the partial entalphy Hu sup(-) with the solvent alloys composition (Mo/Nb + Mo ratio) is compared with the variation of the electronic structure of the solvent. The non-random solute distribution in the binary solvent lattice is shown, with the H atoms prefering interstitial sites next to Nb atoms. (Author) [pt

  17. Superconductivity in SrNi2P2 single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Ronning, Filip [Los Alamos National Laboratory; Bauer, Eric D [Los Alamos National Laboratory; Park, Tuscon [Los Alamos National Laboratory; Thompson, Joe D [Los Alamos National Laboratory

    2009-01-01

    Heat capacity, magnetic susceptibility, and resistivity of SrNi{sub 2}P{sub 2} single crystals are presented, illustrating the structural transition at 325 K, and bulk superconductivity at 1.4 K. The magnitude of {Tc}, fits to the heat capacity data, the small upper critical field H{sub c2} = 390 Oe, and {kappa} = 2.1 suggests a conventional fully gapped superconductor. With applied pressure we find that superconductivity persists into the so-called 'collapsed tetragonal' phase, although the transition temperature is monotonically suppressed with increasing pressure. This argues that reduced dimensionality can be a mechanism for increasing the transition temperatures of layered NiP, as well as layered FeAs and NiAs, superconductors.

  18. Optical properties of reduced lithium niobate single crystals

    Science.gov (United States)

    Dhar, Ajay; Mansingh, Abhai

    1990-12-01

    The optical transmission of LiNbO3 single crystals has been measured in the wavelength range 200-900 nm, for different degrees of reduction, to study the effect of reduction on the optical characteristics of LiNbO3 near the fundamental absorption edge. The optical transitions in LiNbO3 were found to be indirect and the band gap decreased with increasing degree of reduction. The band observed at 2.48 eV in the absorption spectrum in heavily reduced samples has been attributed to the formation of polarons, and the theoretical model of Reik and Heese [J. Chem. Solids 28, 581 (1967)] for small polarons is used to correlate the optical and electrical properties.

  19. Quantum nernst effect in a bismuth single crystal

    International Nuclear Information System (INIS)

    Matsuo, M.; Endo, A.; Hatano, N.; Nakamura, H.; Shirasaki, R.; Sugihara, K.

    2009-07-01

    We calculate the phonon-drag contribution to the transverse (Nernst) thermoelectric power S yx in a bismuth single crystal subjected to a quantizing magnetic field. The calculated heights of the Nernst peaks originating from the hole Landau levels and their temperature dependence reproduce the right order of magnitude for those of the pronounced magneto-oscillations recently reported by Behnia et al. A striking experimental finding that S yx is much larger than the longitudinal (Seebeck) thermoelectric power S xx can be naturally explained as the effect of the phonon drag, combined with the well-known relation between the longitudinal and the Hall resistivity ρ xx >> |ρ yx | in a semi-metal bismuth. The calculation that includes the contribution of both holes and electrons suggests that some of the hitherto unexplained minor peaks located roughly at the fractional filling of the hole Landau levels are attributable to the electron Landau levels. (author)

  20. Growth of single-crystal YAG fiber optics.

    Science.gov (United States)

    Nie, Craig D; Bera, Subhabrata; Harrington, James A

    2016-07-11

    Single-crystal YAG (Y3Al5O12) fibers have been grown by the laser heated pedestal growth technique with losses as low as 0.3 dB/m at 1.06 μm. These YAG fibers are as long as about 60 cm with diameters around 330 μm. The early fibers were grown from unoriented YAG seed fibers and these fibers exhibited facet steps or ridges on the surface of the fiber. However, recently we have grown fibers using an oriented seed to grow step-free fibers. Scattering losses made on the fibers indicate that the scattering losses are equal to about 30% of the total loss.

  1. Shock compression experiments on Lithium Deuteride single crystals.

    Energy Technology Data Exchange (ETDEWEB)

    Knudson, Marcus D.; Desjarlais, Michael Paul; Lemke, Raymond W.

    2014-10-01

    S hock compression exper iments in the few hundred GPa (multi - Mabr) regime were performed on Lithium Deuteride (LiD) single crystals . This study utilized the high velocity flyer plate capability of the Sandia Z Machine to perform impact experiments at flyer plate velocities in the range of 17 - 32 km/s. Measurements included pressure, density, and temperature between %7E200 - 600 GPa along the Principal Hugoniot - the locus of end states achievable through compression by large amplitude shock waves - as well as pressure and density of re - shock states up to %7E900 GPa . The experimental measurements are compared with recent density functional theory calculations as well as a new tabular equation of state developed at Los Alamos National Labs.

  2. Trapped electrons in irradiated single crystals of polyhydroxy compounds

    International Nuclear Information System (INIS)

    Box, H.C.; Budzinski, E.E.; Freund, H.G.; Potter, W.R.

    1979-01-01

    The intermolecular trapping of electrons has been observed in single crystals of dulcitol and L(+) arabinose x-irradiated at 4.2 0 K. Attribution of a major component of the ESR absorption to trapped electrons is based upon the character of the hyperfine pattern, which arises from multiple anisotropic hyperfine interactions with exchangeable protons, and on the g value of the absorption, which is always less than the free spin value. The removal of the trapped electron absorption upon irradiation with visible light has also been demonstrated. In these experiments all of the electrons are trapped in identical sites. This circumstance provides some important advantages in the study of the factors affecting the stabilization of charge in an environment of polarizable molecules

  3. X-ray conductivity of ZnSe single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Degoda, V. Ya., E-mail: degoda@univ.kiev.ua; Podust, G. P. [Taras Shevchenko Kyiv National University, Physics Department (Ukraine)

    2016-05-15

    The experimental I–V and current–illuminance characteristics of the X-ray conductivity and X-ray luminescence of zinc-selenide single crystals feature a nonlinear shape. The performed theoretical analysis of the kinetics of the X-ray conductivity shows that even with the presence of shallow and deep traps for free charge carriers in a semiconductor sample, the integral characteristics of the X-ray conductivity (the current–illuminance and I–V dependences) should be linear. It is possible to assume that the nonlinearity experimentally obtained in the I–V and current–illuminance characteristics can be caused by features of the generation of free charge carriers upon X-ray irradiation, i.e., the generation of hundreds of thousands of free charge carriers of opposite sign in a local region with a diameter of <1 μm and Coulomb interaction between the free charge carriers of opposite signs.

  4. Reduced energy loss in poly(vinylidene fluoride) nanocomposites by filling with a small loading of core-shell structured BaTiO3/SiO2 nanofibers

    Science.gov (United States)

    Liu, Shaohui; Xue, Shuangxi; Shen, Bo; Zhai, Jiwei

    2015-07-01

    Homogeneous ceramic-polymer nanocomposites consisting of core-shell structured BaTiO3/SiO2 nanofibers and a p oly(vinylidene fluoride) (PVDF) polymer matrix have been prepared. The correlation between the energy discharged density and interfacial polarization is studied in PVDF nanocomposites by the measurements of the discharge performance and impedance spectroscopy. According to the results of dielectric constant, breakdown strength, and complex impedance analysis, coating SiO2 layers on the surface of BaTiO3 nanofibers can block the movement of charge carriers through the nanocomposites by playing a shielding role on the charge-rich inter layer, which resulted in weak Maxwell-Wagner-Sillars interfacial polarization and thus reduces the energy loss and improved the energy discharged density of the nanocomposites. The energy discharged density in the nanocomposite with 2.5 vol. % BaTiO3/SiO2 core-shell nanofibers is 6.28 J/cm3 at 3.3 MV/cm, which is over 11.94% higher than that of nanocomposite with BaTiO3 nanofibers at the same electric field.

  5. Bulk crystal growth and their effective third order nonlinear optical properties of 2-(4-fluorobenzylidene) malononitrile (FBM) single crystal

    Science.gov (United States)

    Priyadharshini, A.; Kalainathan, S.

    2018-04-01

    2-(4-fluorobenzylidene) malononitrile (FBM), an organic third order nonlinear (TONLO) single crystal with the dimensions of 32 × 7 × 11 mm3, has been successfully grown in acetone solution by slow evaporation technique at 35 °C. The crystal system (triclinic), space group (P-1) and crystalline purity of the titular crystal were measured by single crystal and powder X-ray diffraction, respectively. The molecular weight and the multiple functional groups of the FBM material were confirmed through the mass and FT-IR spectral analysis. UV-Vis-NIR spectral study enroles that the FBM crystal exhibits excellent transparency (83%) in the entire visible and near infra-red region with a wide bandgap 2.90 eV. The low dielectric constant (εr) value of FBM crystal is appreciable for microelectronics industry applications. Thermal stability and melting point (130.09 °C) were ascertained by TGA-DSC analysis. The laser-induced surface damage threshold (LDT) value of FBM specimen is found to be 2.14 GW/cm2, it is fairly good compared to other reported NLO crystals. The third - order nonlinear optical character of the FBM crystal was confirmed through the typical single beam Z-scan technique. All these finding authorized that the organic crystal of FBM is favorably suitable for NLO applications.

  6. Single crystal diamond detectors grown by chemical vapor deposition

    International Nuclear Information System (INIS)

    Tuve, C.; Angelone, M.; Bellini, V.; Balducci, A.; Donato, M.G.; Faggio, G.; Marinelli, M.; Messina, G.; Milani, E.; Morgada, M.E.; Pillon, M.; Potenza, R.; Pucella, G.; Russo, G.; Santangelo, S.; Scoccia, M.; Sutera, C.; Tucciarone, A.; Verona-Rinati, G.

    2007-01-01

    The detection properties of heteropitaxial (polycrystalline, pCVD) and homoepitaxial (single crystal, scCVD) diamond films grown by microwave chemical vapor deposition (CVD) in the Laboratories of Roma 'Tor Vergata' University are reported. The pCVD diamond detectors were tested with α-particles from different sources and 12 C ions produced by 15MV Tandem accelerator at Southern National Laboratories (LNS) in Catania (Italy). pCVDs were also used to monitor 14MeV neutrons produced by the D-T plasma at Joint European Torus (JET), Culham, U.K. The limit of pCVDs is the poor energy resolution. To overcome this problem, we developed scCVD diamonds using the same reactor parameters that optimized pCVD diamonds. scCVD were grown on a low cost (100) HPHT single crystal substrate. A detector 110μm thick was tested under α-particles and under 14MeV neutron irradiation. The charge collection efficiency spectrum measured under irradiation with a triple α-particle source shows three clearly resolved peaks, with an energy resolution of about 1.1%. The measured spectra under neutron irradiation show a well separated C(n,α 0 ) 9 Be12 reaction peak with an energy spread of 0.5MeV for 14.8MeV neutrons and 0.3MeV for 14.1MeV neutrons, which are fully compatible with the energy spread of the incident neutron beams

  7. Isothermal equation of state of a lithium fluoride single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Kim, K.Y.

    1975-01-01

    An isothermal equation of state of a LiF single crystal was determined from length change measurements of the specimen as a function of hydrostatic pressure up to approximately 7 kbars at 28 to 41/sup 0/C. The length change was measured with an accuracy of approximately 500 A by using a Fabry Perot type He--Ne laser interferometer for a 1-m long specimen at temperatures constant to less than 0.002/sup 0/C. Several two- and three-parameter equations of state were used in analyzing the measured pressure-volume data. The computer fit for each equation of state determines not only the value of its parameters but also the standard deviations associated with them and one dependent variable, either pressure or volume. With the parameters determined, the equations of state are extrapolated to approximately 5 megabars in order to see discrepancies. Using the Born model of ionic solids, two equations of state were derived both from a power law potential and from an exponential form for the repulsive energy of alkali metal halides and used to fit the pressure-volume data of a LiF single crystal. They are also extrapolated to approximately 5 megabars. The Birch's two-parameter equation and the Grover, Getting, and Kennedy equation are indistinguishable from the two equations of state derived from the Born model for pressures approximately equal to or less than 800 kbars within +-20 kbars. The above four equations of state also fit closely the Pagannone and Drickamer static compression data, the Christian shock wave data, and the Kormer et al. shock wave data. The isothermal bulk modulus and its first pressure derivative at atmospheric pressure and 28.83/sup 0/C are 664.5 +- 0.5 kbars and 5.40 +- 0.18, respectively, in close agreement with those values ultrasonically measured by R. A. Miller and C. S. Smith. (auth)

  8. Modification of ion implanted or irradiated single crystal sapphire

    International Nuclear Information System (INIS)

    Song Yin; Zhang Chonghong; Wang Zhiguang; Zhao Zhiming; Yao Cunfeng; Zhou Lihong; Jin Yunfan

    2006-01-01

    Single crystal sapphire (Al 2 O 3 ) samples were implanted at 600 K by He, Ne and Ar ions with energy of 110 keV to doses ranging from 5 x 10 16 to 2 x 10 17 ion/cm 2 or irradiated at 320 K by 208 Pb 27+ ion with energy of 1.1 MeV/u to the fluences ranging from 1 x 10 12 to 5 x 10 14 ion/cm 2 . The modification of structure and optical properties induced by ion implantation or irradiation were analyzed by using photoluminescence (PL) and Fourier transformation infrared spectrum (FTIR) spectra and transmission electron microscopy (TEM) measurements. The PL measurements showed that absorption peaks located at 375, 413 and 450 nm appeared in all the implanted or irradiated samples, the PL intensities reached up to the maximum for the 5 x 10 16 ion/cm 2 implanted samples. After Pb-ion irradiation, a new peak located at 390 nm formed. TEM analyses showed that small size voids (1-2 nm) with high density were formed in the region from the surface till to about 100 nm in depth and also large size Ne-bubble formed in the Ne-doped region. Form the obtained FTIR spectra, it was found that Pb-ion irradiation induced broadening of the absorption band in 460-510 cm -1 and position shift of the absorption band in 1000-1300 cm -1 towards to high wavenumber. The possible damage mechanism in single crystal sapphire induced by energetic ion implantation or irradiation was briefly discussed. (authors)

  9. Synthesis, crystal growth, optical, thermal, and mechanical properties of a nonlinear optical single crystal: ammonium sulfate hydrogen sulphamate (ASHS)

    Science.gov (United States)

    Sudhakar, K.; Nandhini, S.; Muniyappan, S.; Arumanayagam, T.; Vivek, P.; Murugakoothan, P.

    2018-04-01

    Ammonium sulfate hydrogen sulphamate (ASHS), an inorganic nonlinear optical crystal, was grown from the aqueous solution by slow evaporation solution growth technique. The single-crystal XRD confirms that the grown single crystal belongs to the orthorhombic system with the space group of Pna21. Powder XRD confirms the crystalline nature and the diffraction planes were indexed. Crystalline perfection of grown crystal was analysed by high-resolution X-ray diffraction rocking curve technique. UV-Vis-NIR studies revealed that ASHS crystal has optical transparency 65% and lower cut-off wavelength at 218 nm. The violet light emission of the crystal was identified by photoluminescence studies. The particle size-dependent second-harmonic generation efficiency for ASHS crystal was evaluated by Kurtz-Perry powder technique using Nd:YAG laser which established the existence of phase matching. Surface laser damage threshold value was evaluated using Nd:YAG laser. Optical homogeneity of the crystal was evaluated using modified channel spectrum method through birefringence study. Thermal analysis reveals that ASHS crystal is stable up to 213 °C. The mechanical behaviour of the ASHS crystal was analysed using Vickers microhardness study.

  10. A dislocation-based crystal plasticity framework for dynamic ductile failure of single crystals

    Science.gov (United States)

    Nguyen, Thao; Luscher, D. J.; Wilkerson, J. W.

    2017-11-01

    A framework for dislocation-based viscoplasticity and dynamic ductile failure has been developed to model high strain rate deformation and damage in single crystals. The rate-dependence of the crystal plasticity formulation is based on the physics of relativistic dislocation kinetics suited for extremely high strain rates. The damage evolution is based on the dynamics of void growth, which are governed by both micro-inertia as well as dislocation kinetics and dislocation substructure evolution. An averaging scheme is proposed in order to approximate the evolution of the dislocation substructure in both the macroscale as well as its spatial distribution at the microscale. Additionally, a concept of a single equivalent dislocation density that effectively captures the collective influence of dislocation density on all active slip systems is proposed here. Together, these concepts and approximations enable the use of semi-analytic solutions for void growth dynamics developed in (Wilkerson and Ramesh, 2014), which greatly reduce the computational overhead that would otherwise be required. The resulting homogenized framework has been implemented into a commercially available finite element package, and a validation study against a suite of direct numerical simulations was carried out.

  11. Structure-Curie temperature relationships in BaTiO3-based ferroelectric perovskites: Anomalous behavior of (Ba ,Cd )TiO3 from DFT, statistical inference, and experiments

    Science.gov (United States)

    Balachandran, Prasanna V.; Xue, Dezhen; Lookman, Turab

    2016-04-01

    One of the key impediments to the development of BaTiO3-based materials as candidates to replace toxic-Pb-based solid solutions is their relatively low ferroelectric Curie temperature (TC). Among many potential routes that are available to modify TC, ionic substitutions at the Ba and Ti sites remain the most common approach. Here, we perform density functional theory (DFT) calculations on a series of A TiO3 and Ba B O3 perovskites, where A =Ba , Ca, Sr, Pb, Cd, Sn, and Mg and B =Ti , Zr, Hf, and Sn. Our objective is to study the relative role of A and B cations in impacting the TC of the tetragonal (P 4 m m ) and rhombohedral (R 3 m ) ferroelectric phases in BaTiO3-based solid solutions, respectively. Using symmetry-mode analysis, we obtain a quantitative description of the relative contributions of various divalent (A ) and tetravalent (B ) cations to the ferroelectric distortions. Our results show that Ca, Pb, Cd, Sn, and Mg have large mode amplitudes for ferroelectric distortion in the tetragonal phase relative to Ba, whereas Sr suppresses the distortions. On the other hand, Zr, Hf, and Sn tetravalent cations severely suppress the ferroelectric distortion in the rhombohedral phase relative to Ti. In addition to symmetry modes, our calculated unit-cell volume also agrees with the experimental trends. We subsequently utilize the symmetry modes and unit-cell volumes as features within a machine learning approach to learn TC via an inference model and uncover trends that provide insights into the design of new high-TCBaTiO3 -based ferroelectrics. The inference model predicts CdTiO3-BaTiO3 solid solutions to have a higher TC and, therefore, we experimentally synthesized these solid solutions and measured their TC. Although the calculated mode strength for CdTiO3 in the tetragonal phase is even larger than that for PbTiO3, the TC of CdTiO3-BaTiO3 solid solutions in the tetragonal phase does not show any appreciable enhancement. Thus, CdTiO3-BaTiO3 does not follow the inference model, which is based on established data and trends for A TiO3 . Rather, our experimental phase diagram for CdTiO3-BaTiO3 suggests that it behaves markedly differently from any other BaTiO3-based systems studied so far.

  12. Structure of cleaved (001) USb2 single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Shao-ping [Los Alamos National Laboratory; Hawley, Marilyn [Los Alamos National Laboratory; Bauer, Eric D [Los Alamos National Laboratory; Stockum, Phil B [STANFORD UNIV.; Manoharan, Hari C [STANFORD UNIV

    2009-01-01

    We have achieved what we believe to be the first atomic resolution STM images for a uranium compound taken at room temperature. The a, b, and c lattice parameters in the images confirm that the USb{sub 2} crystals cleave on the (001) basal plane as expected. The a and b dimensions were equal, with the atoms arranged in a cubic pattern. Our calculations indicate a symmetric cut between Sb planes to be the most favorable cleavage plane and U atoms to be responsible for most of the DOS measured by STM. Some strange features observed in the STM will be discussed in conjunction with ab initio calculations. The purpose of this work is to demonstrate the power of scanning tunneling microscopy (STM) techniques combined with a theoretical underpinning to determine the surface atomic structure and properties of actinide materials, such as the quasi 2-dimensional uranium dipnictide USb{sub 2} single crystal, thereby contributing to the understanding of their surface structural and electronic properties. The members of this interesting UX{sub 2} (X=P, As, Sb, Bi) series of compounds display dual localized and itinerant 5f electron behavior within the same compound due to the hybridization of the 5f orbitals with the conduction band. With the exception of UO{sub 2}, which has to be studied at elevated temperature to generate enough carriers for STM imaging, STM techniques have not been applied successfully to the characterization of the surface atomic structure of any other single crystal actinide compound, to the best of our knowledge. However, STM has been used to a limited extent for the study of some cerium compounds. STM probes electronic properties at the atomic level and can directly provide information about the local density of filled and empty states (LDOS) states simultaneously. A STM topograph provides the local atomic arrangement and spacing of the atoms on the surface, local defect structures (e.g. steps, vacancies, and kink sites) and the presence of contaminants

  13. Investigation on crystalline perfection, mechanical, piezoelectric and ferroelectric properties of L-tartaric acid single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Murugan, G. Senthil, E-mail: nanosen@gmail.com; Ramasamy, P., E-mail: nanosen@gmail.com [Centre for Crystal Growth, SSN College of Engineering, Kalavakkam, Tamilnadu - 603110 (India)

    2014-04-24

    Polar organic nonlinear optical material, L-tartaric acid single crystals have been grown from slow evaporation solution growth technique. Single crystal X-ray diffraction study indicates that the grown crystal crystallized in monoclinic system with space group P2{sub 1}. Crystalline perfection of the crystal has been evaluated by high resolution X-ray diffraction technique and it reveals that the crystal quality is good and free from structural grain boundaries. Mechanical stability of the crystal has been analyzed by Vickers microhardness measurement and it exhibits reverse indentation size effect. Piezoelectric d{sub 33} co-efficient for the crystal has been examined and its value is 47 pC/N. The ferroelectric behaviour of the crystal was analyzed by polarization-electric field hysteresis loop measurement.

  14. Solid-state molecular organometallic chemistry. Single-crystal to single-crystal reactivity and catalysis with light hydrocarbon substrates.

    Science.gov (United States)

    Chadwick, F Mark; McKay, Alasdair I; Martinez-Martinez, Antonio J; Rees, Nicholas H; Krämer, Tobias; Macgregor, Stuart A; Weller, Andrew S

    2017-08-01

    Single-crystal to single-crystal solid/gas reactivity and catalysis starting from the precursor sigma-alkane complex [Rh(Cy 2 PCH 2 CH 2 PCy 2 )(η 2 η 2 -NBA)][BAr F 4 ] (NBA = norbornane; Ar F = 3,5-(CF 3 ) 2 C 6 H 3 ) is reported. By adding ethene, propene and 1-butene to this precursor in solid/gas reactions the resulting alkene complexes [Rh(Cy 2 PCH 2 CH 2 PCy 2 )(alkene) x ][BAr F 4 ] are formed. The ethene ( x = 2) complex, [Rh(Cy 2 PCH 2 CH 2 PCy 2 )(ethene) 2 ][BAr F 4 ]-Oct , has been characterized in the solid-state (single-crystal X-ray diffraction) and by solution and solid-state NMR spectroscopy. Rapid, low temperature recrystallization using solution methods results in a different crystalline modification, [Rh(Cy 2 PCH 2 CH 2 PCy 2 )(ethene) 2 ][BAr F 4 ]-Hex , that has a hexagonal microporous structure ( P 6 3 22). The propene complex ( x = 1) [Rh(Cy 2 PCH 2 CH 2 PCy 2 )(propene)][BAr F 4 ] is characterized as having a π-bound alkene with a supporting γ-agostic Rh···H 3 C interaction at low temperature by single-crystal X-ray diffraction, variable temperature solution and solid-state NMR spectroscopy, as well as periodic density functional theory (DFT) calculations. A fluxional process occurs in both the solid-state and solution that is proposed to proceed via a tautomeric allyl-hydride. Gas/solid catalytic isomerization of d 3 -propene, H 2 C 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 1111111111111111111111111111111111 1111111111111111111111111111111111

  15. Structural and optical properties of Cd2+ ion on the growth of sulphamic acid single crystals

    Science.gov (United States)

    Rajyalakshmi, S.; Rao, Valluru Srinivasa; Reddy, P. V. S. S. S. N.; Krishna, V. Y. Rama; Samatha, K.; Rao, K. Ramachandra

    2016-05-01

    Transparent single crystals of Cadmium doped Sulphamic acid (SA) was grown by Conventional slow evaporation solution technique (SEST) which had the size of 13 × 8 × 7 mm3. The grown single crystals have been characterized using single crystal X-ray diffraction UV-visible Spectral studies and Second harmonic generation (SHG) efficiency and the results were discussed. The lattice parameters of the grown Cd2+ ion doped SA crystal are confirmed by single crystal X-ray diffraction and belong to orthorhombic system. Optical transmittance of the crystal was recorded using UV-vis NIR spectrophotometer with its lower cut off wavelength around 259nm. SHG measurements indicate that the SHG efficiency of the grown Cd2+ ion doped SA crystal at a fundamental wavelength of 1064 nm is approximately equal to KDP.

  16. Cryogenic Fluid Transfer Components Using Single Crystal Piezoelectric Actuators, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — Cryogenic fluid transfer components using single crystal piezoelectric actuators are proposed to enable low thermal mass, minimal heat leak, low power consumption...

  17. Cryogenic Fluid Transfer Components Using Single Crystal Piezoelectric Actuators, Phase II

    Data.gov (United States)

    National Aeronautics and Space Administration — Cryogenic fluid transfer components using single crystal piezoelectric actuators are proposed to enable low thermal mass, minimal heat leak, low power consumption...

  18. Advanced Electroactive Single Crystal and Polymer Actuator Concepts for Passive Optics, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — TRS Technologies proposes large stroke and high precision piezoelectric single crystal and electroactive polymer actuator concepts?HYBrid Actuation System (HYBAS)...

  19. Cryogenic Clamp-on Ultrasonic Flowmeters using Single Crystal Piezoelectric Transducers, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — Clamp-on ultrasound cryogenic flowmeters using single crystal piezoelectric transducers are proposed to enable reliable, accurate cryogenic instrumentation needs in...

  20. Ion beam synthesis of buried single crystal erbium silicide

    International Nuclear Information System (INIS)

    Golanski, A.; Feenstra, R.; Galloway, M.D.; Park, J.L.; Pennycook, S.J.; Harmon, H.E.; White, C.W.

    1990-01-01

    High doses (10 16 --10 17 /cm 2 ) of 170 keV Er + were implanted into single-crystal left-angle 111 right-angle Si at implantation temperatures between 350 degree C and 520 degree C. Annealing at 800 degree C in vacuum following the implant, the growth and coalescence of ErSi 2 precipitates leads to a buried single crystalline ErSi 2 layer. This has been studied using Rutherford backscattering/channeling, X-ray diffraction, cross-sectional TEM and resistance versus temperature measurements. Samples implanted at 520 degree C using an Er dose of 7 x 10 16 /cm 2 and thermally annealed were subsequently used as seeds for the mesoepitaxial growth of the buried layer during a second implantation and annealing process. Growth occurs meso-epitaxially along both interfaces through beam induced, defect mediated mobility of Er atoms. The crystalline quality of the ErSi 2 layer strongly depends on the temperature during the second implantation. 12 refs., 4 figs

  1. Crystal Structure and Physical Properties of U3T3Sn4 (T = Ni, Cu) Single-Crystals

    OpenAIRE

    Shlyk, L.; Estrela, P.; Waerenborgh, J. C.; De Long, L. E.; de Visser, A.; Rojas, D. P.; Gandra, F.; Almeida, M.

    2000-01-01

    Heat capacity experiments, crystal structure determination and transmission electron microscopy have been carried out on U3Cu3Sn4 single-crystals. U3Cu3Sn4 was confirmed to be a heavy-fermion antiferromagnet (TN=13(1) K) with a low temperature electronic heat capacity coefficient gamma=390 mJ/molUK2. Low temperature heat capacity experiments on a U3Ni3Sn4 single-crystal indicate that below 0.4 K there is a crossover between the previously observed non-Fermi liquid behavior and a Fermi liquid ...

  2. Synthesis and Single Crystal X-Ray Crystallographic Analysis of 2 ...

    African Journals Online (AJOL)

    dihydropyrimidin-1-ium) tetrachlorocobaltate(II) [H2pymo]2[CoCl4]. The compound was re-crystallized in diethyl ether to obtain a suitable single crystal for X-ray diffraction analysis which revealed a molecule crystallizes in the orthorhombic ...

  3. D.C. electrical conductivity measurements on ADP single crystals ...

    Indian Academy of Sciences (India)

    Unknown

    beaker (corning glass vessel) and allowed to equilibrate at the desired temperature. The crystals were grown in unstirred condition. The temperature and volume were kept constant, respectively at 30°C and 20 ml in all the crystal growth experiments. Small crystals appeared in the beginning due to slow evaporation and ...

  4. Thiourea-doped ammonium dihydrogen phosphate: A single crystal ...

    Indian Academy of Sciences (India)

    Thiourea-doped ammonium dihydrogen phosphate (TADP) exhibits nonlinear optical property and the second harmonic generation efficiency of these crystals is three times that of pure ammonium dihydrogen phosphate (ADP) crystal. In this context, the study of structural distortion in the thiourea-doped ADP crystal is ...

  5. Single-crystal elastic constants of natural ettringite

    KAUST Repository

    Speziale, Sergio

    2008-07-01

    The single-crystal elastic constants of natural ettringite were determined by Brillouin spectroscopy at ambient conditions. The six non-zero elastic constants of this trigonal mineral are: C11 = 35.1 ± 0.1 GPa, C12 = 21.9 ±0.1 GPa, C13 = 20.0 ± 0.5 GPa, C14 = 0.6 ± 0.2 GPa, C33 = 55 ± 1 GPa, C44 = 11.0 ± 0.2 GPa. The Hill average of the aggregate bulk, shear modulus and the polycrystal Young\\'s modulus and Poisson\\'s ratio are 27.3 ± 0.9 GPa, 9.5 ± 0.8 GPa, 25 ± 2 GPa and 0.34 ± 0.02 respectively. The longitudinal and shear elastic anisotropy are C33/C11 = 0.64 ± 0.01 and C66/C44 =0.60 ± 0.01. The elastic anisotropy in ettringite is connected to its crystallographic structure. Stiff chains of [Al(OH)6]3- octahedra alternating with triplets of Ca2+ in eight-fold coordination run parallel to the c-axis leading to higher stiffness along this direction. The determination of the elastic stiffness tensor can help in the prediction of the early age properties of cement paste when ettringite crystals precipitate and in the modeling of both internal and external sulfate attack when secondary ettringite formation leads to expansion of concrete. © 2008 Elsevier Ltd. All rights reserved.

  6. Synthesis and ultrastructure of plate-like apatite single crystals as a model for tooth enamel

    Energy Technology Data Exchange (ETDEWEB)

    Zhuang, Zhi, E-mail: zhuang@meiji.ac.jp [Department of Applied Chemistry, School of Science and Technology, Meiji University, 1-1-1 Higashimita, Tama-ku, Kawasaki, Kanagawa 214-8571 (Japan); Yoshimura, Hideyuki, E-mail: hyoshi@isc.meiji.ac.jp [Department of Physics, School of Science and Technology, Meiji University, 1-1-1 Higashimita, Tama-ku, Kawasaki, Kanagawa 214-8571 (Japan); Aizawa, Mamoru, E-mail: mamorua@isc.meiji.ac.jp [Department of Applied Chemistry, School of Science and Technology, Meiji University, 1-1-1 Higashimita, Tama-ku, Kawasaki, Kanagawa 214-8571 (Japan)

    2013-07-01

    Hydroxyapatite (HAp) is an inorganic constituent compound of human bones and teeth, with superior biocompatibility and bioactivity characteristics. Its crystal structure is hexagonal, characterized by a(b)- and c-planes. In vertebrate long bones, HAp crystals have a c-axis orientation, while in tooth enamel, they have an a(b)-axis orientation. Many methods can be used to synthesize c-axis oriented HAp single crystals; however, to the best of our knowledge, there have been no reports on a synthesis method for a(b)-axis oriented HAp single crystals. In this study, we successfully synthesized plate-like HAp crystals at the air–liquid interface of a starting solution via an enzyme reaction of urea with urease. Crystal phase analysis and ultrastructure observations were carried out, and the results indicated that the particles were single crystals, with almost the same a(b)-axis orientation as tooth enamel. It is hoped that by utilizing their unique surface charge and atomic arrangement, the resulting particles can be used as a high-performance biomaterial, capable of adsorbing bio-related substances and a model for tooth enamel. - Highlights: ► Synthesis of plate-like hydroxyapatite crystals at air–liquid interface ► Ultrastructural analysis of plate-like hydroxyapatite crystals ► Plate-like hydroxyapatite single crystals with a high a(b)-axis orientation ► Plate-like hydroxyapatite single crystals as a model for tooth enamel.

  7. Seed crystal in growth of KDP single crystal for optical harmonic generation

    International Nuclear Information System (INIS)

    Shimomura, Osamu

    1985-01-01

    As for the crystal growth of KDP for optical harmonic generation, the employment of (101) seed crystal plate could reduce crystal growth period in comparison with the employment of conventional (001) seed crystal plate except the case of low phase matching angle. This paper describes seed crystal in the case of types I and II of phase matching, evaluation of minimum crystal volume to cut necessary volume crystal plate for optical harmonic generation in the case of types I and II for (001) and (101) crystal plates, results and discussion of numerical analysis of KDP crystal growth for the above-mentioned cases and experimental results of actual KDP crystal growth. It was clarified from these examinations that the use of a (101) crystal plate as a seed showed faster crystal growth regardless of theta m, a phase matching angle. It was also shown that the minimum crystal volume to cut the necessary volume crystal for optical harmonic generation became less by employing a (101) crystal plate than employing a (001) crystal in the case of high phase matching angle, namely theta m > 23.7 0 for type I and theta m > 11.6 0 for type II. Example calculations showed that 54.4 % of crystal growth period for type I and 33.8 % of that for type II was needed for the (101) seed crystal plate in comparison with the case of the (001) seed crystal plate. It was speculated that this conclusion might be applicable also for DKDP or ADP crystals growth. (Takagi, S.)

  8. Effect of crystal orientation on conductivity and electron mobility in single-crystal alumina

    Science.gov (United States)

    Will, Fritz G.; Delorenzi, Horst G.; Janora, Kevin H.

    1992-01-01

    The electrical conductivity of high-purity, single-crystal alumina is determined parallel to and perpendicular to the c-axis. The mean conductivity of four samples of each orientation is a factor 3.3 higher parallel to the c-axis than perpendicular to it. The conductivity as a function of temperature is attributed to extrinsic electron conduction at temperatures from 400 to 900 C, and intrinsic semiconduction at temperatures from 900 to 1300 C. In the high-temperature regime, the slope on all eight specimens is 4.7 +/- 0.1 eV. Hence, the thermal bandgap at O K is 9.4 +/- 0.2 eV.

  9. Crystal structure of La2Mo2O9 single crystals doped with bismuth

    International Nuclear Information System (INIS)

    Alekseeva, O. A.; Verin, I. A.; Sorokina, N. I.; Krasil'nikova, A. E.; Voronkova, V. I.

    2010-01-01

    Precision X-ray diffraction studies of La 2-x Bi x Mo 2 O 9 (x = 0.04, 0.06, and 0.18) single crystals are performed. It is found that in the compounds doped with bismuth, analogously with the structure of the metastable β ms phase of pure La 2 Mo 2 O 9 (LM), the La, Mo1, and O1 atoms deviate from the threefold axis on which they are located in the high-temperature β phase. It is shown that bismuth atoms substitute for part of lanthanum atoms and occupy a position at the threefold axis in the neighborhood of the split lanthanum position. The implantation of bismuth atoms in the LM structure results in the return of a part of the molybdenum atoms to the position at the threefold axis. The occupancy of this position is equal to the occupancy of the bismuth atomic position.

  10. SINGLE-CRYSTAL SAPPHIRE OPTICAL FIBER SENSOR INSTRUMENTATION

    Energy Technology Data Exchange (ETDEWEB)

    A. Wang; G. Pickrell; R. May

    2002-09-10

    Accurate measurement of temperature is essential for the safe and efficient operation and control of a wide range of industrial processes. Appropriate techniques and instrumentation are needed depending on the temperature measurement requirements in different industrial processes and working environments. Harsh environments are common in many industrial applications. These harsh environments may involve extreme physical conditions, such as high-temperature, high-pressure, corrosive agents, toxicity, strong electromagnetic interference, and high-energy radiation exposure. Due to these severe environmental conditions, conventional temperature sensors are often difficult to apply. This situation has opened a new but challenging opportunity for the sensor society to provide robust, high-performance, and cost-effective temperature sensors capable of operating in those harsh environments. The focus of this research program has been to develop a temperature measurement system for temperature measurements in the primary and secondary stages of slagging gasifiers. For this application the temperature measurement system must be able to withstand the extremely harsh environment posed by the high temperatures and corrosive agents present in these systems. Real-time, accurate and reliable monitoring of temperature for the coal gasification process is important to realize the full economic potential of these gasification systems. Long life and stability of operation in the high temperature environment is essential for the temperature measurement system to ensure the continuous running of the coal gasification system over the long term. In this high temperature and chemically corrosive environment, rather limited high temperature measurement techniques such as high temperature thermocouples and optical/acoustic pyrometers are available, each with their own limitations. In this research program, five different temperature sensing schemes based on the single crystal sapphire

  11. SINGLE-CRYSTAL SAPPHIRE OPTICAL FIBER SENSOR INSTRUMENTATION

    Energy Technology Data Exchange (ETDEWEB)

    A. Wang; G. Pickrell; R. May

    2002-10-18

    Accurate measurement of temperature is essential for the safe and efficient operation and control of a wide range of industrial processes. Appropriate techniques and instrumentation are needed depending on the temperature measurement requirements in different industrial processes and working environments. Harsh environments are common in many industrial applications. These harsh environments may involve extreme physical conditions, such as high-temperature, high-pressure, corrosive agents, toxicity, strong electromagnetic interference, and high-energy radiation exposure. Due to these severe environmental conditions, conventional temperature sensors are often difficult to apply. This situation has opened a new but challenging opportunity for the sensor society to provide robust, high-performance, and cost-effective temperature sensors capable of operating in those harsh environments. The focus of this research program has been to develop a temperature measurement system for temperature measurements in the primary and secondary stages of slagging gasifiers. For this application the temperature measurement system must be able to withstand the extremely harsh environment posed by the high temperatures and corrosive agents present in these systems. Real-time, accurate and reliable monitoring of temperature for the coal gasification process is important to realize the full economic potential of these gasification systems. Long life and stability of operation in the high temperature environment is essential for the temperature measurement system to ensure the continuous running of the coal gasification system over the long term. In this high temperature and chemically corrosive environment, rather limited high temperature measurement techniques such as high temperature thermocouples and optical/acoustic pyrometers are available, each with their own limitations. In this research program, five different temperature sensing schemes based on the single crystal sapphire

  12. Growth of ultra radiation hard NaBi(WO4)2 single crystal

    International Nuclear Information System (INIS)

    Govind Singh, S.; Tyagi, Mohit; Singh, Awadh K.; Sangeeta

    2009-01-01

    Single crystals of undoped NaBi(WO 4 ) 2 were grown under different condition by Czochralski technique. Radiation hardness of the crystals was studied by irradiating them up to 10''5 and 10''6 Gy dose at a fast rate (2 Gy/sec) using 60 Co as a gamma source. Transmission spectra of the crystal samples were recorded and analyzed. It is found that crystal grown from recrystalized charge shows very good optical quality and excellent radiation hardness. (author)

  13. Growth and characterization of 4-chloro-3-nitrobenzophenone single crystals using vertical Bridgman technique

    Energy Technology Data Exchange (ETDEWEB)

    Aravinth, K., E-mail: anandcgc@gmail.com; Babu, G. Anandha, E-mail: anandcgc@gmail.com; Ramasamy, P., E-mail: anandcgc@gmail.com [Centre for Crystal Growth, SSN College of Engineering, Kalavakkam -603110, Tamilnadu (India)

    2014-04-24

    4-chloro-3-nitrobenzophenone (4C3N) has been grown by using vertical Bridgman technique. The grown crystal was confirmed by Powder X-ray diffraction analysis. The crystalline perfection of the grown crystal was examined by high-resolution X-ray diffraction study. The fluorescence spectra of grown 4C3N single crystals exhibit emission peak at 575 nm. The micro hardness measurements were used to analyze the mechanical property of the grown crystal.

  14. Electrolytic coloration and spectral properties of hydroxyl-doped potassium chloride single crystals

    International Nuclear Information System (INIS)

    Gu Hongen; Wu Yanru

    2011-01-01

    Hydroxyl-doped potassium chloride single crystals are colored electrolytically at various temperatures and voltages using a pointed cathode and a flat anode. Characteristic OH - spectral band is observed in the absorption spectrum of uncolored single crystal. Characteristic O - , OH - , U, V 2 , V 3 , O 2- -V a + , F, R 2 and M spectral bands are observed simultaneously in absorption spectra of colored single crystals. Current-time curve for electrolytic coloration of hydroxyl-doped potassium chloride single crystal and its relationship with electrolytic coloration process are given. Production and conversion of color centers are explained. - Highlights: → Expanded the traditional electrolysis method. → Hydroxyl-doped potassium chloride crystals were colored electrolytically for the first time. → Useful V, F and F-aggregate color centers were produced in colored crystals. → V color centers were produced directly and F and F-aggregate color centers indirectly.

  15. Capillarity creates single-crystal calcite nanowires from amorphous calcium carbonate.

    Science.gov (United States)

    Kim, Yi-Yeoun; Hetherington, Nicola B J; Noel, Elizabeth H; Kröger, Roland; Charnock, John M; Christenson, Hugo K; Meldrum, Fiona C

    2011-12-23

    Single-crystal calcite nanowires are formed by crystallization of morphologically equivalent amorphous calcium carbonate (ACC) particles within the pores of track etch membranes. The polyaspartic acid stabilized ACC is drawn into the membrane pores by capillary action, and the single-crystal nature of the nanowires is attributed to the limited contact of the intramembrane ACC particle with the bulk solution. The reaction environment then supports transformation to a single-crystal product. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Temperature effect on phase states of quartz nano-crystals in silicon single crystal

    International Nuclear Information System (INIS)

    Kalanov, M.U.; Ibragimova, E.M.; Khamraeva, R.N.; Rustamova, V.M.; Ummatov, Kh.D.

    2006-01-01

    Full text: Oxygen penetrates into the silicon lattice up to the concentration of 2·10 18 cm -3 in the course of growing [1]. By the author's opinion at a low oxygen content the formation of solid solution is possible in the local defect places of the silicon single crystal lattice due to the difference in effective ion radius of oxygen and silicon (r O 0.176 and r Si = 0.065 nm). Upon reaching some critical content (∼ 10 17 cm -3 ), it becomes favorable energetically for oxygen ions to form precipitates (SiO x ) and finally a dielectric layer (stoichiometric inclusions of SiO 2 ). It was shown later that depending on the growth conditions, indeed the quartz crystal inclusions are formed in the silicon single crystals at an amount of 0.3 /0.5 wt. % [2]. However the authors did not study a phase state of the quartz inclusions. Therefore the aim of this work was to study a phase state of the quartz inclusions in silicon crystal at various temperatures. We examined the silicon single crystals grown by Czochralski technique, which were cut in (111) plane in the form of disk of 20 mm diameter and 1.5 thickness and had hole conductivity with the specific resistance ρ o ≅ 1/10 Ohm cm. The dislocation density was N D ≅ 10 1 /10 3 cm -2 , the concentrations of oxygen and boron were N 0 ≅ 2/ 4·10 17 cm -3 and N B ≅ 3*10 15 cm -3 . Structure was analyzed at the set-up DRON-UM1 with high temperature supply UVD-2000 ( CuK = 0.1542 nm) at the temperatures of 300, 1173 and 1573 K measured with platinum-platinum-rhodium thermocouple. The high temperature diffraction spectrum measured at 1573 K in the angle range (2Θ≅10/70 d egree ) there is only one main structure reflection (111) with a high intensity and d/n ≅ 0.3136 nm (2 Θ≅ 28.5 d egree ) from the matrix lattice of silicon single crystal. The weak line at 2 Θ≅ 25.5 d egree ( d/n≅0.3136 nm) is β component of the main reflection (111), and the weak structure peak at 2Θ≅59 d egree ( d/n≅ 0.1568 nm

  17. Piezoelectric properties of Sr3 Ga2 Ge4 O14 single crystals

    Indian Academy of Sciences (India)

    ... determined with resonance and anti-resonance frequencies method by using the impedance analyzer (Agilent 4294A). The results show that the piezoelectric strain constants and electromechanical coupling factors of SGG single crystal are higher than those of LGS single crystals making it a potential substrate material ...

  18. Arc-melting preparation of single crystal LaB6 cathodes

    International Nuclear Information System (INIS)

    Gibson, E.D.; Verhoeven, J.D.

    1977-01-01

    A method for preparing single crystals of lanthanum hexaboride (LaB 6 ) by arc melting a rod of compacted LaB 6 powder is discussed. The method is especially suitable for preparing single-crystal LaB 6 cathodes for use in scanning electron microscopes (SEM) and scanning transmission electron microscopes (STEM). 1 figure, 1 table

  19. Probing the crossover in CO desorption from single crystal to nanoparticulate Ru model catalysts

    DEFF Research Database (Denmark)

    Murphy, Shane; Strebel, Christian Ejersbo; Vendelbo, Søren Bastholm

    2011-01-01

    Crossover in CO desorption behavior and nanoscale structure probed with STM from ruthenium single crystals to PVD and mass-selected nanoparticles.......Crossover in CO desorption behavior and nanoscale structure probed with STM from ruthenium single crystals to PVD and mass-selected nanoparticles....

  20. Growth and study of some gel grown group II single crystals of iodate

    Indian Academy of Sciences (India)

    Unknown

    Page 1 ... Abstract. Single crystals of calcium iodate and barium iodate were grown by simple gel technique by single diffusion method. The optimum conditions were established by varying various parameters such as pH of gel solution, gel concentration, gel setting time, concentration of the reactants etc. Crystals having ...