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Using the linearized augmented-plane-wave (LAPW) -calculated electron and positron charge densities for YBa_2Cu_3O_7, the Brillouin-zone-reduced electron-positron momentum density is computed and the zone-reduced two-dimensional angular correlation of annihilation radiation (2D ACAR) spectrum is produced. The calculations show that the relative weights of the Fermi-surface discontinuities are substantially altered due to the positron preferentially sampling the Cu-O chain region. In addition, the reduced 2D ACAR spectrum contains large k-dependent wave-function effects. The theoretical zone-reduced 2D ACAR spectrum is compared to the several existing experimental spectra. It is concluded that, at present, positron-annihilation experiments do not provide consistent and clear evidence for the existence and shapes of Fermi surfaces in ...

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We report first-principles frozen-phonon calculations for the determination of the force-free geometry and the dynamical matrix of the five Raman-active A_1_g modes in YBa_2Cu_3O_7. To establish the shape of the phonon potentials atomic forces are calculated within the linearized-augmented-plane-wave method. Two different schemes emdash the local-density approximation (LDA) and a generalized gradient approximation (GGA)emdash are employed for the treatment of electronic exchange and correlation effects. We find that in the case of LDA the resulting phonon frequencies show a deviation from experimental values of approximately -10%. Invoking GGA the frequency values are significantly improved and also the eigenvectors are in very good agreement with experimental findings. copyright 1997 The American Physical Society.

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The grain boundary misorientation distribution of 203 grain boundaries in bulk processed high Tc superconductor YBa_2Cu_3O_7_-_#delta# with five processing conditions;, was studied. Two complementary analytical approaches, Grain Boundary Misorientation Distribution (GBMD) from the random description, using a hypothesis test and #chi#"2 analysis, and Grain Boundary Character Distribution (GBCD), using the Coincidence Site Lattice (CSL) model, were applied. The GBMD and GBCD both showed grain boundary evolution departing from a random distribution above 935 C processing temperature. The GBCD analyses indicated an approximately linear increase in the population of CSL-related boundaries, among which the tetragonal CSL (c/a #not =# 3) boundaries grew in the same trend while orthorhombic boundaries (c/a = 3) became stagnated. The results from comparing the ...

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High energy ion backscattering analysis in combination with recently-developed resonance scattering analysis is described, with a stress on precise and quantitative oxygen analysis and its successful application to the characterization and quality estimation of high T_c oxide superconductors. Particularly, the present status of high energy ion backscattering analysis, the review of analytical results for YBa_2Cu_3O_7 _- _x, the estimation of composition and crystalline quality of (La_1 _- _xSr_x)_2CuO_4 by 7 MeV alpha particle backscattering analysis are described.

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Buffer layers with 100% lattice match with YBa2Cu3O7 - ? (YBCO) were prepared from mixed rare-earth-oxides applying a simple sol-gel process and dip-coating method. Structural analysis of the sol-gel derived powder by X-ray diffraction revealed that the mixing parameter, which eliminates the lattice mismatch with YBCO, is x = 0.2382, 0.1852, 0.1252, 0.0906, 0.0793 and 0.0395 in (Eu1 - xHox)2O3, (Eu1 - xErx)2O3, (Eu1 - xYbx)2O3, (Gd1 - xHox)2O3, (Gd1 - xYx)2O3 and (Gd1 - xYbx)2O3, respectively. Microstructural investigations were carried out for Gd1.819Ho0.181O3 films epitaxially grown on cube-textured Ni (100) substrates by sol-gel dip-coating process. X-ray diffraction of the buffer showed strong out-of-plane orientation on Ni tape. The (Gd1 - xHox)2O3 (222) pole figure indicated a single cube-on-cube textured structure. The omega and phi scans revealed good ...

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The trifluoroacetate metal-organic decomposition route to YBa_2Cu_3O_7 film growth was investigated in order to bring new insights in the growth mechanism and its dependence on processing conditions and critical current density. Precursor films were processed on LaAlO_3 substrates at different total pressure, oxygen partial pressure, water vapor partial pressure, and volume gas flow rate keeping the growth temperature at 740 "0C. The influence of these various experimental parameters on the film growth rate, which was evaluated by in situ electrical resistance measurements, was studied thoroughly. It was found that the growth rate is nearly independent of the oxygen pressure and proportional to the square root of the water pressure. Additionally, the growth rate increases with a decrease of the total pressure or an increase of the gas flow rate. An empirical ...

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Microfabrication processes for Y-Ba-Cu-O films have been investigated, using ion-beam techniques. High-T_c superconducting lines as narrow as 0.8 #mu#m have been fabricated from epitaxial YBa_2Cu_3O_7 _- _y films by Ar ion-beam etching (IBE), combined with focused ion-beam (FIB) lithography. The resulting lines, 1.3 #mu#m wide and 2 mm long, showed a zero resistance temperature of 81 K and a critical current density of 1.9 x 10"4 A/cm"2 at 77.3 K. Maskless etching was carried out using 130-keV au"+ focused ion-beam (FIB) with a 0.1-#mu#m-diameter beam. A 50-nm-thick film was patterned into 0.3-#mu#m-wide lines at a dose of 5 x "1"6 ions/cm"2. In comparison with Ar IBE, Cl_2 reactive ion-beam etching (RIBE) exhibited an enhancement effect in sputtering yield. Ion implantation with 300-keV Si"+ "+ FIB also indicated the possibility to produce submicrometer ...

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This paper reports on high resolution electron microscopy used to investigate the effect of electron irradiation induced oxygen loss on the states of partial order in YBa_2Cu_3O_z. Contrast effects visible in the [001] zone image as a result of the degree of the out-of-plane correlation of these ordered states are investigated. Using statistical simulations to aid in the analysis of the HREM images, an interpretation based on a kinetically limited evolution of the variation of long range [001] ordering is proposed.

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We present accurate tight-binding parametrizations of the first-principles augmented-plane-wave or linear-augmented-plane-wave band structures of LaCuO_3, La_2CuO_4, Ba_2CuO_4, and the high-temperature superconductor YBa_2Cu_3O_7. We discuss the methodology and efficient application of these fits, including as an example our tight-binding coherent-potential-approximation (CPA) calculations of the effects of disorder on the electronic structure of La/sub 2-//sub x/Ba/sub x/CuO/sub 4-//sub y/. Our CPA calculations support the hypothesis of a rigid-band lowering of the Fermi level for La/sub 2-//sub x/Ba/sub x/CuO_4, enhancing the density of states there. However, for La_2BaCuO/sub 4-//sub y/ they yield the interesting result that oxygen vacancies also lower E/sub F/ and raise N(E/sub F/). This is a significant result for the theory of superconductivity in these ...

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The structural ordering of oxygen deficient and Co-doped YBCO (YBa_2Cu_3_-_yCo_yO_6_+_x) have been studied experimentally, and by computer simulations of the oxygen ordering in the basal plane of the structure. The calculations are based on the two-dimensional ASYNNNI model and its modifications. Good agreement is established between the ASYNNNI calculations and the experimentally observed structural properties of the double cell ortho-II structure and the oxygen disordering process from Co-doping into the basal plane. A model that relates the superconducting transition temperature T_c(x) of undoped YBCO and T_c(y) of Co-doped YBCO to the formation of specific domains of the two orthorhombic ordered oxygen phases, ortho-I and ortho-II, shows a close agreement with experimental T_c(x) and T_c(y) data of samples prepared under equilibrium conditions. The structural changes as a result of metal ion ...

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A nitric acid solution containing Cr_2O_7"2"- ion is used for a corrosion test which simulates the condition in a nuclear fuel reprocessing plant. As the effect of Cr content on the corrosion resistance of stainless steel is not yet fully understood in that solution, the effects of Cr content in an alloy and that of Cr_2O_7"2"- ion in nitric acid on the corrosion rate were studied by using electro-chemical measurements. The increase of Cr content reduced the general corrosion rate in nitric acid solution without Cr_2O_7"2"- ion, however it increased that in nitric acid solution containing Cr_2O_7"2"- ion. It is considered that the reversal of the Cr content dependency is due to a rise of the corrosion potential caused by addition of Cr_2O_7"2"- ion to the potential region where a ...

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The local Yb3+ magnetic susceptibility tensor was recently measured in the frustrated pyrochlore compound Yb2Ti2O7 by means of in-field polarized neutron scattering in a single crystal. A very anisotropic effective exchange tensor was derived for the Yb3+ ion. Using this result, we reinterpret here the data for the powder susceptibility in Yb2Ti2O7. We show that, in the case of a well-isolated Kramers doublet with anisotropic g and exchange tensors, the inverse susceptibility for a powder sample does not strictly obey a Curie-Weiss law at low temperature. We discuss the consequences regarding the paramagnetic Curie temperature, usually taken as a measure of the exchange/dipolar interaction, and the exotic 'slow fluctuation' ground state of Yb2Ti2O7. (fast track communication)

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Dopant-free Bi2Ti2O7 thin films with pyrochlore structure and La-doped bismuth titanate thin films have been fabricated by means of chemical solution decomposition, and characterized by X-ray diffraction, atomic force microscopy, scanning electron microscopy and UV?Vis spectrophotometry in this study. Their photocatalytic activities have been evaluated by photodegrading methyl orange solution, and the optimum processing parameters for the highest photocatalytic activity have been found. Moreover, the effects of La-doping on the phase transformation and the photocalalytic activity have been studied. It has been deduced from the experiment result that substituted La3+ ions can act as a stabilizer of Aurivillus phase BLT and a grain?growth inhibitor in BLT thin films.

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A novel sodium lead pentaborate, NaPbB5O9, has been successfully synthesized by standard solid-state reaction. The single-crystal X-ray structural analysis showed that NaPbB5O9 crystallizes in the monoclinic space group P21/c with a=6.5324(10) A, b=13.0234(2) A, c=8.5838(10) A, ?=104.971(10)o, and Z=4. The crystal structure is composed of double ring [B5O9]3- units, [PbO7] and [NaO7] polyhedra. [B5O9]3- groups connect with each other forming two-dimensional infinite ?[B5O9]3- layers, while [PbO7] and [NaO7] polyhedra are located between the layers. [PbO7] polyhedra linked together via corner-sharing O atom forming novel infinite ?[PbO6] chains along the c axis. The thermal behavior, IR spectrum and the optical diffuse reflectance spectrum of NaPbB5O9 were reported. -- Graphical ...

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The magnetization of a series of intermetallic compounds Au_3R, where R is Gd through Yb, was investigated at 2.5 to 300"0K in applied fields up to 26 kOe. All the compounds studied exhibited the orthorhombic TiCu_3--Do/sub a/ type structure. For high temperatures, the temperature dependence of the inverse susceptibility followed a Curie--Weiss law, yielding effective paramagnetic moments in good agreement with the values calculated for free tripositive rare earth ions. At low temperatures, deviations from Curie--Weiss behavior were observed in all cases. These deviations are ascribed to the influence of crystal-field and exchange interactions. (auth).

British Library Electronic Table of Contents (United Kingdom)

A cyclic hexapeptide, annomuricatin A (the molecular formula: C27H38N6O7), was isolated from the seeds of Annona muricata. The types and sequence of the amino acids were confirmed by X-ray diffraction analysis. The stereochemistry of the title cyclopeptide was clarified by X-ray crystallographic study. The backbone contains two b-turns, one is type I b-turn and the other is type II, which are stabilized by two transannular 41 backbone hydrogen bonds between Ala and Phe. There are intermolecular hydrogen bonds between the cyclopeptide and the solvent molecules which maintained the steady spatial arrangement in crystal.

Energy Technology Data Exchange (ETDEWEB)

The magnetic pyrochlore Er{sub 2}Ru{sub 2}O{sub 7} has been studied with neutron scattering and susceptibility measurements down to a base temperature of 270 mK. For the low temperature phase in which the Er sublattice orders, new magnetic Bragg peaks are reported which can be indexed with integer (hkl) for a face centered cubic cell. Inelastic measurements reveal a wealth of crystal field levels of the Er ion and a copious amount of magnetic scattering below 15 meV. The three lowest groups of crystal field levels are at 6.7, 9.1 and 18.5 meV.

International Nuclear Information System (INIS)

Focused ion beam (FIB) processes have been developed for Y--Ba--Cu--O superconductor films. A Y--Cu liquid metal ion source has been fabricated, using a Y_6_7 --Cu_3_3 eutectic alloy as the ion source. As-sputtered Y--Ba--Cu--O film etch rate ratios to GaAs(100) and Si(100) substrates are 0.28 and 1.4 for 130-keV Au"+ FIB ion etching, respectively. Y--Ba--Cu--O submicron patterns have been demonstrated by using FIB lithography and Cl_2 reactive ion beam etching. Moreover, a Y--Ba--Cu--O superconducting line with 4-#mu#m linewidth has been fabricated by annealing an as-sputtered Y--Ba--Cu--O line pattern. T/sub c/ control of Y--Ba--Cu--O film has been achieved by 200-keV Ne"+, using conventional ion implantation and 300 keV Si"+"+ FIB ion implantation.

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Full text: Pigments possessing the ability to confer high solar reflectance have received considerable attention in recent years. The inorganic class of NIR reflective pigments are mainly metal oxides and are primarily employed in two applications: (i) visual camouflage and (ii) reducing heat build up. More than half of the solar radiation consists of near-infrared radiation (52%), the remaining being 43% visible light and 5% ultraviolet radiation. Over heating due to solar radiation negatively affects comfort in the built environment and contributes substantially to electrical consumption for air conditioning and release of green house gases. A pigment which has strong reflections in the NIR region (780-2500 nm) can be referred to as a 'cool' pigment. However, most of the NIR reflective inorganic pigments particularly yellow (eg. cadmium yellow, lead chromate, chrome titanate yellow etc.) contain toxic metals and hence their consumption is being limited. Replacing them with ...

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The mobility of oxidized astatine in solutions H(Na)ClO_4 (#mu#=0.4M)-1.10"-"4M K_2Cr_2O_7 has been measured at 25 degC in the interval 0.63<=pH<=1.68. Under these conditions astatine migrates to the cathode only. The speeds of the migration depends upon the concentration of hydrogen ions in solutions are: pH 1.68 Usub(c)=1.17.10"-"4 cm"2 V"-"1 s"-"1; pH 0.63 Usub(c)=2.67.10"-"4 cm"2 V"-"1 s"-"1. The effect agrees with the opinion that the singly charged cation of astatine formed in acidic solutions is a strong aquacomplex [(H_2O)sub(x)At]"+ (x=1-2) (protonated hypoastatic acid). Deprotonation constant of this cation is Ksub(dp)=0.032+-0.005. Specific properties of the astatine cation are given. They can be explained, probably, through the peculiarities of its structure. (author).

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The complex phase relationships near the BaO-poor region of the quaternary Ba-Sm-Y-Cu-O oxide system prepared in pure air (pO2=22 kPa, 950 oC) and in 0.1% O2 (pO2=100 Pa, 810 oC) have been determined. This investigation also included the subsolidus compatibilities in ten subsystems (Ba-Sm-Y-O, Ba-Sm-Cu-O, Ba-Y-Cu-O, Sm-Y-Cu-O, Ba-Sm-O, Ba-Y-O, Ba-Cu-O, Sm-Y-O, Sm-Cu-O, and Y-Cu-O), and the homogeneity range of five solid solutions (Ba(SmxY2-x)CuO5, (Sm,Y)2O3, (Sm,Y)2CuO4, (Y,Sm)2Cu2O5, and Ba(Sm,Y)2O4). The single phase range of the superconductor solid solution, (Ba2-xSmx)(Sm1-yYy)Cu3O6+z, and the phase compatibilities in its vicinity, which are particularly important for processing, are described in detail. The phase equilibrium data of the Ba-Sm-Y-Cu-O system will enable the improvement of the intrinsic superconducting properties of second-generation wires, and facilitate the flux-pinning process. -- Graphical Abstract: Phase diagram ...

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The central benzodiazepine receptor tracer [N-methyl-"1"1C]iomazenil (Ro 16-0154) was synthesized by alkylation of the desmethyl precursor noriomazenil with ["1"1C]methyl iodide. The ["1"1C]CH_3I (prepared by reduction of ["1"1C]CO_2 with LiAlH_4 followed by reaction with HI) was reacted with noriomazenil inN,N -dimethylformamide and Bu_4N"+OH"- for 1 min at 80 deg. C and purified by HPLC (C_1_8, 34% CH_3CN/H_2O, 7 mL/min). The product was obtained with synthesis time 35 #+-# 5 min (mean #+-# SD, n = 7), radiochemical yield (EOB) 36 #+-# 16%, radiochemical purity 99 #+-# 1%, and specific activity 5100 #+-# 2800 mCi/#mu#mol. Absorbed radiation doses were calculated from previously acquired human biodistribution data. The urinary bladder wall received the highest dose (0.099 mGy/MBq) for 4.8 h voiding interval and the effective dose equivalent was 0.015 mSv/MBq. After i.v. injection of ["1"1C]iomazenil in an adult baboon or healthy human ...

Energy Technology Data Exchange (ETDEWEB)

There has been considerable progress in developing SrBi{sub 2}Ta{sub 2}O{sub 9} (SBT) and Ba{sub O.7}Sr{sub O.3}TiO{sub 3} (BST) ferroelectric films for use as nonvolatile memory chips and for capacitors in dynamic random access memories (DRAMs). Ferroelectric materials have a very large dielectric constant ( {approx} 1000), approximately one hundred times greater than that of silicon dioxide. Devices made from these materials have been known to experience breakdown after a repeated voltage pulsing. It has been suggested that this is related to stoichiometric changes within the material. To accurately characterise these materials Elastic Recoil Detection Analysis (ERDA) is being developed. This technique employs a high energy heavy ion beam to eject nuclei from the target and uses a time of flight and energy dispersive (ToF-E) detector telescope to detect these nuclei. The recoil nuclei carry both energy and mass information which enables the ...