Structure and Ionic Conductivity of Li{sub 2}S–P{sub 2}S{sub 5} Glass Electrolytes Simulated with First-Principles Molecular Dynamics

Energy Technology Data Exchange (ETDEWEB)

Baba, Takeshi; Kawamura, Yoshiumi, E-mail: yoshiumi_kawamura@mail.toyota.co.jp [Toyota Motor Corporation, Shizuoka (Japan)

2016-06-02

Lithium thiophosphate-based materials are attractive as solid electrolytes in all-solid-state lithium batteries because glass or glass-ceramic structures of these materials are associated with very high conductivity. In this work, we modeled lithium thiophosphates with amorphous structures and investigated Li{sup +} mobilities by using molecular dynamics calculations based on density functional theory (DFT-MD). The structures of xLi{sub 2}S–(100 − x)P{sub 2}S{sub 5} (x = 67, 70, 75, and 80) were created by randomly identifying appropriate compositions of Li{sup +}, PS{sub 4}{sup 3−},P{sub 2}S{sub 7}{sup 4−}, and S{sup 2−} and then annealing them with DFT-MD calculations. Calculated relative stabilities of the amorphous structures with x = 67, 70, and 75 to crystals with the same compositions were 0.04, 0.12, and 0.16 kJ/g, respectively. The implication is that these amorphous structures are metastable. There was good agreement between calculated and experimental structure factors determined from X-ray scattering. The differences between the structure factors of amorphous structures were small, except for the first sharp diffraction peak, which was affected by the environment between Li and S atoms. Li{sup +} diffusion coefficients obtained from DFT-MD calculations at various temperatures for picosecond simulation times were on the order of 10{sup −3}–10{sup −5} Å{sup 2}/ps. Ionic conductivities evaluated by the Nernst–Einstein relationship at 298.15 K were on the order of 10{sup −5} S/cm. The ionic conductivity of the amorphous structure with x = 75 was the highest among the amorphous structures because there was a balance between the number density and diffusibility of Li{sup +}. The simulations also suggested that isolated S atoms suppress Li{sup +} migration.

Time-resolved study of formate on Ni( 1 1 1 ) by picosecond SFG spectroscopy

Science.gov (United States)

Kusafuka, K.; Noguchi, H.; Onda, K.; Kubota, J.; Domen, K.; Hirose, C.; Wada, A.

2002-04-01

Time-resolved vibrational measurements were carried out on formate (HCOO) adsorbed on Ni(1 1 1) surface by combining the sum-frequency generation method and picosecond laser system (time resolution of 6 ps). Rapid intensity decrease (within the time resolution) followed by intensity recovery (time constant of several tens of ps) of CH stretching signal was observed when picosecond 800 nm pulse was irradiated on the sample surface. From the results of temperature and pump fluence dependences of temporal behaviour of signal intensity, we concluded that the observed intensity change was induced by non-thermal process. Mechanism of the temporal intensity change was discussed.

Shock compression and flash-heating of molecular adsorbates on the picosecond time scale

Science.gov (United States)

Berg, Christopher Michael

An ultrafast nonlinear coherent laser spectroscopy termed broadband multiplex vibrational sum-frequency generation (SFG) with nonresonant suppression was employed to monitor vibrational transitions of molecular adsorbates on metallic substrates during laser-driven shock compression and flash-heating. Adsorbates were in the form of well-ordered self-assembled monolayers (SAMs) and included molecular explosive simulants, such as nitroaromatics, and long chain-length alkanethiols. Based on reflectance measurements of the metallic substrates, femtosecond flash-heating pulses were capable of producing large-amplitude temperature jumps with DeltaT = 500 K. Laser-driven shock compression of SAMs produced pressures up to 2 GPa, where 1 GPa ≈ 1 x 104 atm. Shock pressures were estimated via comparison with frequency shifts observed in the monolayer vibrational transitions during hydrostatic pressure measurements in a SiC anvil cell. Molecular dynamics during flash-heating and shock loading were probed with vibrational SFG spectroscopy with picosecond temporal resolution and sub-nanometer spatial resolution. Flash-heating studies of 4-nitrobenzenethiolate (NBT) on Au provided insight into effects from hot-electron excitation of the molecular adsorbates at early pump-probe delay times. At longer delay times, effects from the excitation of SAM lattice modes and lower-energy NBT vibrations were shown. In addition, flash-heating studies of alkanethiolates demonstrated chain disordering behaviors as well as interface thermal conductances across the Au-SAM junction, which was of specific interest within the context of molecular electronics. Shock compression studies of molecular explosive simulants, such as 4-nitrobenzoate (NBA), demonstrated the proficiency of this technique to observe shock-induced molecular dynamics, in this case orientational dynamics, on the picosecond time scale. Results validated the utilization of these refined shock loading techniques to probe the shock

Tracing temperature in a nanometer size region in a picosecond time period.

Science.gov (United States)

Nakajima, Kaoru; Kitayama, Takumi; Hayashi, Hiroaki; Matsuda, Makoto; Sataka, Masao; Tsujimoto, Masahiko; Toulemonde, Marcel; Bouffard, Serge; Kimura, Kenji

2015-08-21

Irradiation of materials with either swift heavy ions or slow highly charged ions leads to ultrafast heating on a timescale of several picosecond in a region of several nanometer. This ultrafast local heating result in formation of nanostructures, which provide a number of potential applications in nanotechnologies. These nanostructures are believed to be formed when the local temperature rises beyond the melting or boiling point of the material. Conventional techniques, however, are not applicable to measure temperature in such a localized region in a short time period. Here, we propose a novel method for tracing temperature in a nanometer region in a picosecond time period by utilizing desorption of gold nanoparticles around the ion impact position. The feasibility is examined by comparing with the temperature evolution predicted by a theoretical model.

Picosecond Fluorescence Dynamics of Tryptophan and 5-Fluorotryptophan in Monellin : Slow Water-Protein Relaxation Unmasked

NARCIS (Netherlands)

Xu, Jianhua; Chen, Binbin; Callis, Patrik Robert; Muiño, Pedro L; Rozeboom, Henriette J; Broos, Jaap; Toptygin, Dmitri; Brand, Ludwig; Knutson, Jay R

2015-01-01

Time Dependent Fluorescence Stokes (emission wavelength) Shifts (TDFSS) from tryptophan (Trp) following sub-picosecond excitation are increasingly used to investigate protein dynamics, most recently enabling active research interest into water dynamics near the surface of proteins. Unlike many

Growth and apoptosis of HeLa cells induced by intense picosecond pulsed electric field

Directory of Open Access Journals (Sweden)

Yuan-yuan HUA

2011-07-01

Full Text Available Objective To investigate the growth and apoptosis of HeLa cells induced by intense picosecond pulsed electric field(PEF in vitro.Methods HeLa cells cultured in vitro were divided into experimental group and control group(with or without intense picosecond PEF.With constant pulse width,frequency and voltage,the cells in experimental group were divided into 6 sub-groups according to the number of pulse(100,200,500,1000,1500,2000,the growth inhibition of HeLa cells by PEF and the dose-effect relationship were analyzed by MTT.Caspase 3 protein activity was detected in the cells in 500,1000 and 2000 sub-groups.Mitochondrial transmembrane potential was detected by rhodamine 123 staining with the cells in 2000 sub-groups.Results MTT assay demonstrated that intense picosecond PEF significantly inhibited the proliferation of HeLa cells in dose-dependent manner.The survival rates of cells declined along with the increase in pulse number,and were 96.23%±0.76%,94.11%±2.42%,90.31%±1.77%,64.59%±1.59%,32.95%±0.73%,23.85%±2.38% and 100%,respectively,in 100,200,500,1000,1500,2000 sub-groups and control group(P < 0.01.The Caspase 3 protein activity was significantly enhanced by intense picosecond PEF,and the absorbancy indexes(A were 0.174±0.012,0.232±0.017,0.365±0.016 and 0.122±0.011,respectively,in 500,1000,2000 sub-groups and control group(P < 0.05.The mitochondrial transmembrane potential of HeLa cells was significantly inhibited by intense picosecond PEF,and the fluorescence intensity in 2000 sub-group(76.66±13.38 was much lower than that in control group(155.81±2.33,P < 0.05.Conclusion Intense picosecond PEF may significantly inhibit the growth of HeLa cells,and induce cell apoptosis via mitochondrial pathway.

Picosecond optical shutter for particle detection

International Nuclear Information System (INIS)

Fan, B.; Gee, C.M.; Shapiro, G.

1975-04-01

Characteristics of an optical shutter utilizing Kerr effect induced by picosecond laser pulses in carbon disulfide are studied experimentally. The shutter has a gate time of 4.5 to 5 ps full width at half-maximum and a transmission of approximately 15 percent at a wavelength 0.53 μm. Such an ultrafast shutter can be used as an optical signal gate in a sampling detection scheme that has picosecond time-resolution. The picosecond optical detection scheme is envisioned to have applications in experimental high-energy physics such as to time-resolve ultrashort Cherenkov or synchrotron radiation emitted by relativistic particles. Methods of synchronizing a laser-activated Kerr shutter with a particle accelerator or synchrotron are discussed

Picosecond absorption relaxation measured with nanosecond laser photoacoustics

OpenAIRE

Danielli, Amos; Favazza, Christopher P.; Maslov, Konstantin; Wang, Lihong V.

2010-01-01

Picosecond absorption relaxation—central to many disciplines—is typically measured by ultrafast (femtosecond or picosecond) pump-probe techniques, which however are restricted to optically thin and weakly scattering materials or require artificial sample preparation. Here, we developed a reflection-mode relaxation photoacoustic microscope based on a nanosecond laser and measured picosecond absorption relaxation times. The relaxation times of oxygenated and deoxygenated hemoglobin molecules, b...

New and Advanced Picosecond Lasers for Tattoo Removal.

Science.gov (United States)

Adatto, Maurice A; Amir, Ruthie; Bhawalkar, Jayant; Sierra, Rafael; Bankowski, Richard; Rozen, Doran; Dierickx, Christine; Lapidoth, Moshe

2017-01-01

Early methods of tattoo removal ultimately resulted in unacceptable cosmetic outcomes. While the introduction of laser technology was an improvement over the existing chemical, mechanical, and surgical procedures, the use of nonselective tattoo removal with carbon dioxide and argon lasers led to scarring. Q-switched lasers with nanosecond (10-9) pulse domains were considered to have revolutionized tattoo treatment, by selectively heating the tattoo particles, while reducing the adverse sequelae to adjacent normal skin. Theoretical considerations of restricting pulse duration, to heat tattoo particles to higher temperatures, proposed the use of sub-nanosecond pulses to target particles with thermal relaxation times lower than the nanosecond pulses in Q-switched lasers. Initial studies demonstrated that picosecond (10-12) pulses were more effective than nanosecond pulses in clearing black tattoos. Advances in picosecond technology led to the development of commercially available lasers, incorporating several different wavelengths, to further refine pigment targeting. © 2017 S. Karger AG, Basel.

Picosecond, single pulse electron linear accelerator

International Nuclear Information System (INIS)

Kikuchi, Riichi; Kawanishi, Masaharu

1979-01-01

The picosecond, single pulse electron linear accelerators, are described, which were installed in the Nuclear Engineering Laboratory of the University of Tokyo and in the Nuclear Radiation Laboratory of the Osaka University. The purpose of the picosecond, single pulse electron linear accelerators is to investigate the very short time reaction of the substances, into which gamma ray or electron beam enters. When the electrons in substances receive radiation energy, the electrons get high kinetic energy, and the energy and the electric charge shift, at last to the quasi-stable state. This transient state can be experimented with these special accelerators very accurately, during picoseconds, raising the accuracy of the time of incidence of radiation and also raising the accuracy of observation time. The outline of these picosecond, single pulse electron linear accelerators of the University of Tokyo and the Osaka University, including the history, the systems and components and the output beam characteristics, are explained. For example, the maximum energy 30 -- 35 MeV, the peak current 1 -- 8 n C, the pulse width 18 -- 40 ps, the pulse repetition rate 200 -- 720 pps, the energy spectrum 1 -- 1.8% and the output beam diameter 2 -- 5 mm are shown as the output beam characteristics of the accelerators in both universities. The investigations utilizing the picosecond single pulse electron linear accelerators, such as the investigation of short life excitation state by pulsed radiation, the dosimetry study of pulsed radiation, and the investigation of the transforming mechanism and the development of the transforming technology from picosecond, single pulse electron beam to X ray, vacuum ultraviolet ray and visual ray, are described. (Nakai, Y.)

A review on high-resolution CMOS delay lines: towards sub-picosecond jitter performance.

Science.gov (United States)

Abdulrazzaq, Bilal I; Abdul Halin, Izhal; Kawahito, Shoji; Sidek, Roslina M; Shafie, Suhaidi; Yunus, Nurul Amziah Md

2016-01-01

A review on CMOS delay lines with a focus on the most frequently used techniques for high-resolution delay step is presented. The primary types, specifications, delay circuits, and operating principles are presented. The delay circuits reported in this paper are used for delaying digital inputs and clock signals. The most common analog and digitally-controlled delay elements topologies are presented, focusing on the main delay-tuning strategies. IC variables, namely, process, supply voltage, temperature, and noise sources that affect delay resolution through timing jitter are discussed. The design specifications of these delay elements are also discussed and compared for the common delay line circuits. As a result, the main findings of this paper are highlighting and discussing the followings: the most efficient high-resolution delay line techniques, the trade-off challenge found between CMOS delay lines designed using either analog or digitally-controlled delay elements, the trade-off challenge between delay resolution and delay range and the proposed solutions for this challenge, and how CMOS technology scaling can affect the performance of CMOS delay lines. Moreover, the current trends and efforts used in order to generate output delayed signal with low jitter in the sub-picosecond range are presented.

Picosecond camera

International Nuclear Information System (INIS)

Decroisette, Michel

A Kerr cell activated by infrared pulses of a model locked Nd glass laser, acts as an ultra-fast and periodic shutter, with a few p.s. opening time. Associated with a S.T.L. camera, it gives rise to a picosecond camera allowing us to study very fast effects [fr

New theoretical approaches to atomic and molecular dynamics triggered by ultrashort light pulses on the atto- to picosecond time scale

Energy Technology Data Exchange (ETDEWEB)

Pabst, Stefan Ulf

2013-04-15

The concept of atoms as the building blocks of matter has existed for over 3000 years. A revolution in the understanding and the description of atoms and molecules has occurred in the last century with the birth of quantum mechanics. After the electronic structure was understood, interest in studying the dynamics of electrons, atoms, and molecules increased. However, time-resolved investigations of these ultrafast processes were not possible until recently. The typical time scale of atomic and molecular processes is in the picosecond to attosecond realm. Tremendous technological progress in recent years makes it possible to generate light pulses on these time scales. With such ultrashort pulses, atomic and molecular dynamics can be triggered, watched, and controlled. Simultaneously, the need rises for theoretical models describing the underlying mechanisms. This doctoral thesis focuses on the development of theoretical models which can be used to study the dynamical behavior of electrons, atoms, and molecules in the presence of ultrashort light pulses. Several examples are discussed illustrating how light pulses can trigger and control electronic, atomic, and molecular motions. In the first part of this work, I focus on the rotational motion of asymmetric molecules, which happens on picosecond and femtosecond time scales. Here, the aim is to align all three axes of the molecule as well as possible. To investigate theoretically alignment dynamics, I developed a program that can describe alignment motion ranging from the impulsive to the adiabatic regime. The asymmetric molecule SO{sub 2} is taken as an example to discuss strategies of optimizing 3D alignment without the presence of an external field (i.e., field-free alignment). Field-free alignment is particularly advantageous because subsequent experiments on the aligned molecule are not perturbed by the aligning light pulse. Wellaligned molecules in the gas phase are suitable for diffraction experiments. From the

Observation of coherently enhanced tunable narrow-band terahertz transition radiation from a relativistic sub-picosecond electron bunch train

International Nuclear Information System (INIS)

Piot, P.; Maxwell, T. J.; Sun, Y.-E; Ruan, J.; Lumpkin, A. H.; Thurman-Keup, R.; Rihaoui, M. M.

2011-01-01

We experimentally demonstrate the production of narrow-band (δf/f≅20% at f≅0.5THz) transition radiation with tunable frequency over [0.37, 0.86] THz. The radiation is produced as a train of sub-picosecond relativistic electron bunches transits at the vacuum-aluminum interface of an aluminum converter screen. The bunch train is generated via a transverse-to-longitudinal phase space exchange technique. We also show a possible application of modulated beams to extend the dynamical range of a popular bunch length diagnostic technique based on the spectral analysis of coherent radiation.

Time resolved techniques: An overview

International Nuclear Information System (INIS)

Larson, B.C.; Tischler, J.Z.

1990-06-01

Synchrotron sources provide exceptional opportunities for carrying out time-resolved x-ray diffraction investigations. The high intensity, high angular resolution, and continuously tunable energy spectrum of synchrotron x-ray beams lend themselves directly to carrying out sophisticated time-resolved x-ray scattering measurements on a wide range of materials and phenomena. When these attributes are coupled with the pulsed time-structure of synchrotron sources, entirely new time-resolved scattering possibilities are opened. Synchrotron beams typically consist of sub-nanosecond pulses of x-rays separated in time by a few tens of nanoseconds to a few hundred nanoseconds so that these beams appear as continuous x-ray sources for investigations of phenomena on time scales ranging from hours down to microseconds. Studies requiring time-resolution ranging from microseconds to fractions of a nanosecond can be carried out in a triggering mode by stimulating the phenomena under investigation in coincidence with the x-ray pulses. Time resolution on the picosecond scale can, in principle, be achieved through the use of streak camera techniques in which the time structure of the individual x-ray pulses are viewed as quasi-continuous sources with ∼100--200 picoseconds duration. Techniques for carrying out time-resolved scattering measurements on time scales varying from picoseconds to kiloseconds at present and proposed synchrotron sources are discussed and examples of time-resolved studies are cited. 17 refs., 8 figs

ASIC for time-of-flight measurements with picosecond timing resolution

Energy Technology Data Exchange (ETDEWEB)

Stankova, Vera; Shen, Wei; Harion, Tobias [Kirchhoff-Institute for Physics, Heidelberg Univ. (Germany)

2015-07-01

The Positron Emission Tomography (PET) images are especially affected by a high level of noise. This noise affects the potential to detect and discriminate the tumor in relation to the background. Including Time-of-Flight information, with picosecond time resolution, within the conventional PET scanners will improve the signal-to-noise ratio (SNR) and in sequence the quality of the medical images. A mix-mode ASIC (STIC3) has been developed for high precision timing measurements with Silicon Photomultipliers (SiPM). The STiC3 is 64-channel chip, with fully differential analog front-end for crosstalk and electronic noise immunity. It integrates Time to Digital Converters (TDC) with time binning of 50.2 ps for time and energy measurements. Measurements of the of the analog front-end show a time jitter less than 20 ps and jitter of the TDC together with the digital part is around 37 ps. Further the timing of a channel has been tested by injecting a pulse into two channels and measuring the time difference of the recorded timestamps. A Coincidence Time Resolution (CTR) of 215 ps FWHM has been obtained with 3.1 x 3.1 x 15 mm{sup 2} LYSO:Ce scintillator crystals and Hamamatsu SiPM matric (S12643-050CN(x)). Characterization measurements with the chip and its performances are presented.

Picosecond absorption relaxation measured with nanosecond laser photoacoustics.

Science.gov (United States)

Danielli, Amos; Favazza, Christopher P; Maslov, Konstantin; Wang, Lihong V

2010-10-18

Picosecond absorption relaxation-central to many disciplines-is typically measured by ultrafast (femtosecond or picosecond) pump-probe techniques, which however are restricted to optically thin and weakly scattering materials or require artificial sample preparation. Here, we developed a reflection-mode relaxation photoacoustic microscope based on a nanosecond laser and measured picosecond absorption relaxation times. The relaxation times of oxygenated and deoxygenated hemoglobin molecules, both possessing extremely low fluorescence quantum yields, were measured at 576 nm. The added advantages in dispersion susceptibility, laser-wavelength availability, reflection sensing, and expense foster the study of natural-including strongly scattering and nonfluorescent-materials.

Optoelectronic Picosecond Detection of Synchrotron X-rays

Energy Technology Data Exchange (ETDEWEB)

Durbin, Stephen M. [Purdue Univ., West Lafayette, IN (United States)

2017-08-04

The goal of this research program was to develop a detector that would measure x-ray time profiles with picosecond resolution. This was specifically aimed for use at x-ray synchrotrons, where x-ray pulse profiles have Gaussian time spreads of 50-100 ps (FWHM), so the successful development of such a detector with picosecond resolution would permit x-ray synchrotron studies to break through the pulse width barrier. That is, synchrotron time-resolved studies are currently limited to pump-probe studies that cannot reveal dynamics faster than ~50 ps, whereas the proposed detector would push this into the physically important 1 ps domain. The results of this research effort, described in detail below, are twofold: 1) the original plan to rely on converting electronic signals from a semiconductor sensor into an optical signal proved to be insufficient for generating signals with the necessary time resolution and sensitivity to be widely applicable; and 2) an all-optical method was discovered whereby the x-rays are directly absorbed in an optoelectronic material, lithium tantalate, which can then be probed by laser pulses with the desired picosecond sensitivity for detection of synchrotron x-rays. This research program has also produced new fundamental understanding of the interaction of x-rays and optical lasers in materials that has now created a viable path for true picosecond detection of synchrotron x-rays.

Two-color pump-probe laser spectroscopy instrument with picosecond time-resolved electronic delay and extended scan range

Science.gov (United States)

Yu, Anchi; Ye, Xiong; Ionascu, Dan; Cao, Wenxiang; Champion, Paul M.

2005-11-01

An electronically delayed two-color pump-probe instrument was developed using two synchronized laser systems. The instrument has picosecond time resolution and can perform scans over hundreds of nanoseconds without the beam divergence and walk-off effects that occur using standard spatial delay systems. A unique picosecond Ti :sapphire regenerative amplifier was also constructed without the need for pulse stretching and compressing optics. The picosecond regenerative amplifier has a broad wavelength tuning range, which suggests that it will make a significant contribution to two-color pump-probe experiments. To test this instrument we studied the rotational correlation relaxation of myoglobin (τr=8.2±0.5ns) in water as well as the geminate rebinding kinetics of oxygen to myoglobin (kg1=1.7×1011s-1, kg2=3.4×107s-1). The results are consistent with, and improve upon, previous studies.

Picosecond image-converter diagnostics

International Nuclear Information System (INIS)

Schelev, M.Ya.

1975-01-01

A brief review is presented of the improvements in picosecond image-converter diagnostics carried out since the previous Congress in 1972. The account is given under the following headings: picosecond image converter cameras for visible and x-ray radiation diagnostics; Nd:glass and ruby mode-locked laser measurements; x-ray plasma emission diagnostics; computer treatment of pictures produced by picosecond cameras. (U.K.)

Multichannel, time-resolved picosecond laser ultrasound imaging and spectroscopy with custom complementary metal-oxide-semiconductor detector

International Nuclear Information System (INIS)

Smith, Richard J.; Light, Roger A.; Johnston, Nicholas S.; Pitter, Mark C.; Somekh, Mike G.; Sharples, Steve D.

2010-01-01

This paper presents a multichannel, time-resolved picosecond laser ultrasound system that uses a custom complementary metal-oxide-semiconductor linear array detector. This novel sensor allows parallel phase-sensitive detection of very low contrast modulated signals with performance in each channel comparable to that of a discrete photodiode and a lock-in amplifier. Application of the instrument is demonstrated by parallelizing spatial measurements to produce two-dimensional thickness maps on a layered sample, and spectroscopic parallelization is demonstrated by presenting the measured Brillouin oscillations from a gallium arsenide wafer. This paper demonstrates the significant advantages of our approach to pump probe systems, especially picosecond ultrasonics.

Multichannel, time-resolved picosecond laser ultrasound imaging and spectroscopy with custom complementary metal-oxide-semiconductor detector

Energy Technology Data Exchange (ETDEWEB)

Smith, Richard J.; Light, Roger A.; Johnston, Nicholas S.; Pitter, Mark C.; Somekh, Mike G. [Institute of Biophysics, Imaging and Optical Science, University of Nottingham, Nottinghamshire NG7 2RD (United Kingdom); Sharples, Steve D. [Applied Optics Group, Electrical Systems and Optics Research Division, University of Nottingham, Nottinghamshire NG7 2RD (United Kingdom)

2010-02-15

This paper presents a multichannel, time-resolved picosecond laser ultrasound system that uses a custom complementary metal-oxide-semiconductor linear array detector. This novel sensor allows parallel phase-sensitive detection of very low contrast modulated signals with performance in each channel comparable to that of a discrete photodiode and a lock-in amplifier. Application of the instrument is demonstrated by parallelizing spatial measurements to produce two-dimensional thickness maps on a layered sample, and spectroscopic parallelization is demonstrated by presenting the measured Brillouin oscillations from a gallium arsenide wafer. This paper demonstrates the significant advantages of our approach to pump probe systems, especially picosecond ultrasonics.

Analysis of picosecond pulsed laser melted graphite

International Nuclear Information System (INIS)

Steinbeck, J.; Braunstein, G.; Speck, J.; Dresselhaus, M.S.; Huang, C.Y.; Malvezzi, A.M.; Bloembergen, N.

1986-01-01

A Raman microprobe and high resolution TEM have been used to analyze the resolidified region of liquid carbon generated by picosecond pulse laser radiation. From the relative intensities of the zone center Raman-allowed mode for graphite at 1582 cm -1 and the disorder-induced mode at 1360 cm -1 , the average graphite crystallite size in the resolidified region is determined as a function of position. By comparison with Rutherford backscattering spectra and Raman spectra from nonosecond pulsed laser melting experiments, the disorder depth for picosecond pulsed laser melted graphite is determined as a function of irradiating energy density. Comparisons of TEM micrographs for nanosecond and picosecond pulsed laser melting experiments show that the structure of the laser disordered regions in graphite are similar and exhibit similar behavior with increasing laser pulse fluence

Sintering time effect on crystal structure and magnetic properties of Bi{sub 0.8}La{sub 0.2}FeO{sub 3} multiferroics

Energy Technology Data Exchange (ETDEWEB)

Singh, Ompal, E-mail: om19901990@gmail.com; Agarwal, Ashish; Sanghi, Sujata; Singh, Jogender [Department of Applied Physics Guru Jambheshwar University of Science & Technology, Hisar – 125001 (Haryana) (India)

2016-05-06

Effect of sintering time over the structure and magnetic properties has been studied in Bi{sub 0.8}La{sub 0.2}FeO{sub 3} multiferroic ceramics prepared by solid state reaction technique. The structure changes with the advent mixed phase rhombohedral and orthorhombic symmetry to immaculate orthorhombic structure with sintering time from 2 to 3 hour, as revealed by means of the simulation of XRD patterns via Rietveld analysis through FullProf software. The M – H plots depict decent enhancement in magnetization with values of remnant magnetization (Mr) from 0.01868emu/g to 0.09357emu/g while the sintering time is varied from 2 to 3 hour. The metamagnetic transition may be attributed to the crumpling of the modulated spin cycloid existing inherently in the pristine compound. The presented study may have considerable impact in commercial as well as advanced electronic applications.

Comparison of optical transients during the picosecond laser pulse-induced crystallization of GeSbTe and AgInSbTe phase-change thin films: Nucleation-driven versus growth-driven processes

Energy Technology Data Exchange (ETDEWEB)

Liang, Guangfei [Key Laboratory of High Power Laser Materials, Shanghai Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Shanghai 201800 (China); Li, Simian [State Key Laboratory of Optoelectronic Materials and Technology, Department of Physics, Sun Yat-Sen University, Guangzhou 510275 (China); Huang, Huan [Key Laboratory of High Power Laser Materials, Shanghai Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Shanghai 201800 (China); Wang, Yang, E-mail: ywang@siom.ac.cn [Key Laboratory of High Power Laser Materials, Shanghai Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Shanghai 201800 (China); Lai, Tianshu, E-mail: stslts@mail.sysu.edu.cn [State Key Laboratory of Optoelectronic Materials and Technology, Department of Physics, Sun Yat-Sen University, Guangzhou 510275 (China); Wu, Yiqun [Key Laboratory of High Power Laser Materials, Shanghai Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Shanghai 201800 (China)

2013-09-01

Direct comparison of the real-time in-situ crystallization behavior of as-deposited amorphous Ge{sub 2}Sb{sub 2}Te{sub 5} (GeSbTe) and Ag{sub 8}In{sub 14}Sb{sub 55}Te{sub 23} (AgInSbTe) phase-change thin films driven by picosecond laser pulses was performed by a time-resolved optical pump-probe technique with nanosecond resolution. Different optical transients showed various crystallization processes because of the dissimilar nucleation- and growth-dominated mechanisms of the two materials. The effects of laser pulse fluence, thermal conductive structure, and successive pulse irradiation on their crystallization dynamics were also discussed. A schematic was then established to describe the different crystallization processes beginning from the as-deposited amorphous state. The results may provide further insight into the phase-change mechanism under extra-non-equilibrium conditions and aid the development of ultrafast phase-change memory materials.

Unfolding of Ubiquitin Studied by Picosecond Time-Resolved Fluorescence of the Tyrosine Residue

OpenAIRE

Noronha, Melinda; Lima, João C.; Bastos, Margarida; Santos, Helena; Maçanita, António L.

2004-01-01

The photophysics of the single tyrosine in bovine ubiquitin (UBQ) was studied by picosecond time-resolved fluorescence spectroscopy, as a function of pH and along thermal and chemical unfolding, with the following results: First, at room temperature (25°C) and below pH 1.5, native UBQ shows single-exponential decays. From pH 2 to 7, triple-exponential decays were observed and the three decay times were attributed to the presence of tyrosine, a tyrosine-carboxylate hydrogen-bonded complex, and...

A Brief Technical History of the Large-Area Picosecond Photodetector (LAPPD) Collaboration

Energy Technology Data Exchange (ETDEWEB)

Adams, B.W.; et al.

2016-03-06

The Large Area Picosecond PhotoDetector (LAPPD) Collaboration was formed in 2009 to develop large-area photodetectors capable of time resolutions measured in pico-seconds, with accompanying sub-millimeter spatial resolution. During the next three and one-half years the Collaboration developed the LAPPD design of 20 x 20 cm modules with gains greater than $10^7$ and non-uniformity less than $15\\%$, time resolution less than 50 psec for single photons and spatial resolution of 700~microns in both lateral dimensions. We describe the R\\&D performed to develop large-area micro-channel plate glass substrates, resistive and secondary-emitting coatings, large-area bialkali photocathodes, and RF-capable hermetic packaging. In addition, the Collaboration developed the necessary electronics for large systems capable of precise timing, built up from a custom low-power 15-GigaSample/sec waveform sampling 6-channel integrated circuit and supported by a two-level modular data acquisition system based on Field-Programmable Gate Arrays for local control, data-sparcification, and triggering. We discuss the formation, organization, and technical successes and short-comings of the Collaboration. The Collaboration ended in December 2012 with a transition from R\\&D to commercialization.

Structure of picosecond pulses of a Q-switched and mode-locked diode-pumped Nd:YAG laser

Energy Technology Data Exchange (ETDEWEB)

Donin, V I; Yakovin, D V; Gribanov, A V [Institute of Automation and Electrometry, Siberian Branch of the Russian Academy of Sciences, Novosibirsk (Russian Federation)

2015-12-31

The pulse duration of a diode-pumped Nd:YAG laser, in which Q-switching with mode-locking (QML regime) is achieved using a spherical mirror and a travelling-wave acousto-optic modulator, is directly measured with a streak camera. It is found that the picosecond pulses can have a non-single-pulse structure, which is explained by excitation of several competing transverse modes in the Q-switching regime with a pulse repetition rate of 1 kHz. In the case of cw mode-locking (without Q-switching), a new (auto-QML) regime is observed, in which the pulse train repetition rate is determined by the frequency of the relaxation oscillations of the laser field while the train contains single picosecond pulses. (control of laser radiation parameters)

Picosecond buildup and relaxation of intense stimulated emission in GaAs

International Nuclear Information System (INIS)

Ageeva, N. N.; Bronevoi, I. L.; Zabegaev, D. N.; Krivonosov, A. N.

2013-01-01

In support of the idea developed previously based on circumstantial evidence, we have found that stimulated emission emerges in GaAs and its intensity increases with a picosecond delay relative to the front of powerful picosecond optical pumping that produced a dense electron-hole plasma. The emission intensity relaxes with decreasing pumping with a characteristic time of ∼10 ps. We have derived the dependences of the delay time, the relaxation time, and the duration of the picosecond emission pulse on its photon energy. The estimates based on the fact that the relaxation of emission is determined by electron-hole plasma cooling correspond to the measured relaxation time.

Six-frame picosecond radiation camera based on hydrated electron photoabsorption phenomena

International Nuclear Information System (INIS)

Coutts, G.W.; Olk, L.B.; Gates, H.A.; St Leger-Barter, G.

1977-01-01

To obtain picosecond photographs of nanosecond radiation sources, a six-frame ultra-high speed radiation camera based on hydrated electron absorption phenomena has been developed. A time-dependent opacity pattern is formed in an acidic aqueous cell by a pulsed radiation source. Six time-resolved picosecond images of this changing opacity pattern are transferred to photographic film with the use of a mode-locked dye laser and six electronically gated microchannel plate image intensifiers. Because the lifetime of the hydrated electron absorption centers can be reduced to picoseconds, the opacity patterns represent time-space pulse profile images

Rapid prototyping of flexible intrafascicular electrode arrays by picosecond laser structuring.

Science.gov (United States)

Mueller, Matthias; de la Oliva, Natalia; Del Valle, Jaume; Delgado-Martínez, Ignacio; Navarro, Xavier; Stieglitz, Thomas

2017-12-01

Interfacing the peripheral nervous system can be performed with a large variety of electrode arrays. However, stimulating and recording a nerve while having a reasonable amount of channels limits the number of available systems. Translational research towards human clinical trial requires device safety and biocompatibility but would benefit from design flexibility in the development process to individualize probes. We selected established medical grade implant materials like precious metals and Parylene C to develop a rapid prototyping process for novel intrafascicular electrode arrays using a picosecond laser structuring. A design for a rodent animal model was developed in conjunction with an intrafascicular implantation strategy. Electrode characterization and optimization was performed first in saline solution in vitro before performance and biocompatibility were validated in sciatic nerves of rats in chronic implantation. The novel fabrication process proved to be suitable for prototyping and building intrafascicular electrode arrays. Electrochemical properties of the electrode sites were enhanced and tested for long-term stability. Chronic implantation in the sciatic nerve of rats showed good biocompatibility, selectivity and stable stimulation thresholds. Established medical grade materials can be used for intrafascicular nerve electrode arrays when laser structuring defines structure size in the micro-scale. Design flexibility reduces re-design cycle time and material certificates are beneficial support for safety studies on the way to clinical trials.

Rapid prototyping of flexible intrafascicular electrode arrays by picosecond laser structuring

Science.gov (United States)

Mueller, Matthias; de la Oliva, Natalia; del Valle, Jaume; Delgado-Martínez, Ignacio; Navarro, Xavier; Stieglitz, Thomas

2017-12-01

Objective. Interfacing the peripheral nervous system can be performed with a large variety of electrode arrays. However, stimulating and recording a nerve while having a reasonable amount of channels limits the number of available systems. Translational research towards human clinical trial requires device safety and biocompatibility but would benefit from design flexibility in the development process to individualize probes. Approach. We selected established medical grade implant materials like precious metals and Parylene C to develop a rapid prototyping process for novel intrafascicular electrode arrays using a picosecond laser structuring. A design for a rodent animal model was developed in conjunction with an intrafascicular implantation strategy. Electrode characterization and optimization was performed first in saline solution in vitro before performance and biocompatibility were validated in sciatic nerves of rats in chronic implantation. Main results. The novel fabrication process proved to be suitable for prototyping and building intrafascicular electrode arrays. Electrochemical properties of the electrode sites were enhanced and tested for long-term stability. Chronic implantation in the sciatic nerve of rats showed good biocompatibility, selectivity and stable stimulation thresholds. Significance. Established medical grade materials can be used for intrafascicular nerve electrode arrays when laser structuring defines structure size in the micro-scale. Design flexibility reduces re-design cycle time and material certificates are beneficial support for safety studies on the way to clinical trials.

Femosecond dynamics of quasi-particles in YBa sub 2 Cu sub 3 O sub 7 minus. delta. superconductor films

Energy Technology Data Exchange (ETDEWEB)

Han, S.G.; Vardeny, Z.V.; Symko, O.G. (Utah Univ., Salt Lake City, UT (United States). Dept. of Physics); Koren, G. (Technion-Israel Inst. of Tech., Haifa (Israel). Dept. of Physics)

1991-03-01

This paper reports on the transient electronic response of YBa{sub 2}Cu{sub 3}O{sub 7{minus}{delta}} epitaxially grown HT{sub c} superconductor thin films in the femtosecond time domain, using transient photoinduced reflectivity ({Delta}R) with 60 fsec time resolution. For temperatures T {gt} T{sub c} only a bolometric signal was observed with {Delta}R {gt} O. For T {lt} T{sub c} {Delta}R {lt} O with a temperature dependent rise time of order 300 fsec followed by a relaxation (of order 3 psec) into a state with {Delta} are explained in terms of quasi-particle (QP) electronic response giving {Delta}R {lt} O. Thus the femtosecond rise time is interpreted as avalanche multiplication of QP across the gap 2{Delta} and the subsequent picosecond relaxation as QP recombination. The QP optical response is explained within the two fluid model.

Study of polysilane mainchain electronic structure by picosecond pulse radiolysis

International Nuclear Information System (INIS)

Habara, H.; Saeki, A.; Kunimi, Y.; Seki, S.; Kozawa, T.; Yoshida, Y.; Tagawa, S.

2000-01-01

The electronic structure of a charged polysilane molecle is studied. The transient absorption spectroscopy was carried out for charged radicals of poly (methylphenylsilane): PMPS by pico-second and nanosecond pulse radiolysis technique. It was observed that the peak of the transient absorption spectra shifted to longer wavelength region within a few nsec, and an increase was observed in the optical density at 370 nm, which had been already assigned to the radical anions of PMPS. It is ascribed to inter-segment electron transfer (intra-molecular transfer) through polymer chain. The nanosecond pulse radiolysis experiments gave similar kinetic traces in near-UV and IR region. This suggests the presence of an interband level, that is, a polaron level occupied by an excess electron or a hole. (author)

Real time observation of the excimer formation dynamics of a gas phase benzene dimer by picosecond pump-probe spectroscopy.

Science.gov (United States)

Miyazaki, Mitsuhiko; Fujii, Masaaki

2015-10-21

We observed the real-time excimer (EXC) formation dynamics of a gas phase benzene dimer (Bz2) cluster after photo-excitation to the S1 state by applying an ionization detected picosecond transient absorption method for probing the visible EXC absorption for the first time. The time evolution of the EXC absorption from the S1 0(0) level shows a rise that is well fitted by a single exponential function with a time constant of 18 ± 2 ps. The structure of the Bz dimer has a T-shaped structure in the ground electronic state, and that in the EXC state is a parallel sandwich (SW) structure. Thus, the observed rise time corresponds to the structural change from the T to the SW structures, which directly shows the EXC formation. On the other hand, the EXC formation after excitation of the S1 6(1) vibrational level of the stem site showed a faster rise of the time constant of 10 ± 2 ps. Supposing equilibrium between the EXC and the local excited states, it followed that the intramolecular vibrational energy redistribution rate of the 6(1) level is largely enhanced and becomes faster than the EXC formation reaction.

Picosecond x-ray streak camera studies

International Nuclear Information System (INIS)

Kasyanov, Yu.S.; Malyutin, A.A.; Richardson, M.C.; Chevokin, V.K.

1975-01-01

Some initial results of direct measurement of picosecond x-ray emission from laser-produced plasmas are presented. A PIM-UMI 93 image converter tube, incorporating an x-ray sensitive photocathode, linear deflection, and three stages of image amplification was used to analyse the x-ray radiation emanating from plasmas produced from solid Ti targets by single high-intensity picosecond laser pulses. From such plasmas, the x-ray emission typically persisted for times of 60psec. However, it is shown that this detection system should be capable of resolving x-ray phenomena of much shorter duration. (author)

Note: Space qualified photon counting detector for laser time transfer with picosecond precision and stability.

Science.gov (United States)

Prochazka, Ivan; Kodet, Jan; Blazej, Josef

2016-05-01

The laser time transfer link is under construction for the European Space Agency in the frame of Atomic Clock Ensemble in Space. We have developed and tested the flying unit of the photon counting detector optimized for this space mission. The results are summarized in this Note. An extreme challenge was to build a detector package, which is rugged, small and which provides long term detection delay stability on picosecond level. The device passed successfully all the tests required for space missions on the low Earth orbits. The detector is extremely rugged and compact. Its long term detection delay stability is excellent, it is better than ±1 ps/day, in a sense of time deviation it is better than 0.5 ps for averaging times of 2000 s to several hours. The device is capable to operate in a temperature range of -55 °C up to +60 °C, the change of the detection delay with temperature is +0.5 ps/K. The device is ready for integration into the space structure now.

Atomic and molecular dynamics triggered by ultrashort light pulses on the atto- to picosecond time scale

Science.gov (United States)

Pabst, Stefan

2013-04-01

Time-resolved investigations of ultrafast electronic and molecular dynamics were not possible until recently. The typical time scale of these processes is in the picosecond to attosecond realm. The tremendous technological progress in recent years made it possible to generate ultrashort pulses, which can be used to trigger, to watch, and to control atomic and molecular motion. This tutorial focuses on experimental and theoretical advances which are used to study the dynamics of electrons and molecules in the presence of ultrashort pulses. In the first part, the rotational dynamics of molecules, which happens on picosecond and femtosecond time scales, is reviewed. Well-aligned molecules are particularly suitable for angle-dependent investigations like x-ray diffraction or strong-field ionization experiments. In the second part, the ionization dynamics of atoms is studied. The characteristic time scale lies, here, in the attosecond to few-femtosecond regime. Although a one-particle picture has been successfully applied to many processes, many-body effects do constantly occur. After a broad overview of the main mechanisms and the most common tools in attosecond physics, examples of many-body dynamics in the attosecond world (e.g., in high-harmonic generation and attosecond transient absorption spectroscopy) are discussed.

Picosecond streak camera diagnostics of CO2 laser-produced plasmas

International Nuclear Information System (INIS)

Jaanimagi, P.A.; Marjoribanks, R.S.; Sancton, R.W.; Enright, G.D.; Richardson, M.C.

1979-01-01

The interaction of intense laser radiation with solid targets is currently of considerable interest in laser fusion studies. Its understanding requires temporal knowledge of both laser and plasma parameters on a picosecond time scale. In this paper we describe the progress we have recently made in analysing, with picosecond time resolution, various features of intense nanosecond CO 2 laser pulse interaction experiments. An infrared upconversion scheme, having linear response and <20 ps temporal resolution, has been utilized to characterise the 10 μm laser pulse. Various features of the interaction have been studied with the aid of picosecond IR and x-ray streak cameras. These include the temporal and spatial characteristics of high harmonic emission from the plasma, and the temporal development of the x-ray continuum spectrum. (author)

The generalized centroid difference method for picosecond sensitive determination of lifetimes of nuclear excited states using large fast-timing arrays

Energy Technology Data Exchange (ETDEWEB)

Régis, J.-M., E-mail: regis@ikp.uni-koeln.de [Institut für Kernphysik der Universität zu Köln, Zülpicher Str. 77, 50937 Köln (Germany); Mach, H. [Departamento de Física Atómica y Nuclear, Universidad Complutense, 28040 Madrid (Spain); Simpson, G.S. [Laboratoire de Physique Subatomique et de Cosmologie Grenoble, 53, rue des Martyrs, 38026 Grenoble Cedex (France); Jolie, J.; Pascovici, G.; Saed-Samii, N.; Warr, N. [Institut für Kernphysik der Universität zu Köln, Zülpicher Str. 77, 50937 Köln (Germany); Bruce, A. [School of Computing, Engineering and Mathematics, University of Brighton, Lewes Road, Brighton BN2 4GJ (United Kingdom); Degenkolb, J. [Institut für Kernphysik der Universität zu Köln, Zülpicher Str. 77, 50937 Köln (Germany); Fraile, L.M. [Departamento de Física Atómica y Nuclear, Universidad Complutense, 28040 Madrid (Spain); Fransen, C. [Institut für Kernphysik der Universität zu Köln, Zülpicher Str. 77, 50937 Köln (Germany); Ghita, D.G. [Horia Hulubei National Institute for Physics and Nuclear Engineering, 77125 Bucharest (Romania); and others

2013-10-21

A novel method for direct electronic “fast-timing” lifetime measurements of nuclear excited states via γ–γ coincidences using an array equipped with N∈N equally shaped very fast high-resolution LaBr{sub 3}(Ce) scintillator detectors is presented. Analogous to the mirror symmetric centroid difference method, the generalized centroid difference method provides two independent “start” and “stop” time spectra obtained by a superposition of the N(N−1)γ–γ time difference spectra of the N detector fast-timing system. The two fast-timing array time spectra correspond to a forward and reverse gating of a specific γ–γ cascade. Provided that the energy response and the electronic time pick-off of the detectors are almost equal, a mean prompt response difference between start and stop events is calibrated and used as a single correction for lifetime determination. These combined fast-timing arrays mean γ–γ time-walk characteristics can be determined for 40keVsub γ}<1.3MeV with an accuracy less than 5 ps using a {sup 152}Eu γ-ray source. Due to reduction and cancellation of many possible systematic errors, the lifetime determination limit of the method over the total dynamic range is mainly determined by the statistics. The setup of an N=4 detector fast-timing array delivered an absolute time resolving power of 3 ps for 10 000 γ–γ events per total fast timing array start and stop time spectrum. The new method is tested over the total dynamic range by the measurements of known picosecond lifetimes in standard γ-ray sources.

Insights into the photochemical disproportionation of transition metal dimers on the picosecond time scale.

Science.gov (United States)

Lomont, Justin P; Nguyen, Son C; Harris, Charles B

2013-05-09

The reactivity of five transition metal dimers toward photochemical, in-solvent-cage disproportionation has been investigated using picosecond time-resolved infrared spectroscopy. Previous ultrafast studies on [CpW(CO)3]2 established the role of an in-cage disproportionation mechanism involving electron transfer between 17- and 19-electron radicals prior to diffusion out of the solvent cage. New results from time-resolved infrared studies reveal that the identity of the transition metal complex dictates whether the in-cage disproportionation mechanism can take place, as well as the more fundamental issue of whether 19-electron intermediates are able to form on the picosecond time scale. Significantly, the in-cage disproportionation mechanism observed previously for the tungsten dimer does not characterize the reactivity of four out of the five transition metal dimers in this study. The differences in the ability to form 19-electron intermediates are interpreted either in terms of differences in the 17/19-electron equilibrium or of differences in an energetic barrier to associative coordination of a Lewis base, whereas the case for the in-cage vs diffusive disproportionation mechanisms depends on whether the 19-electron reducing agent is genuinely characterized by 19-electron configuration at the metal center or if it is better described as an 18 + δ complex. These results help to better understand the factors that dictate mechanisms of radical disproportionation and carry implications for radical chain mechanisms.

Picosecond spectroscopy: The first 20 years

International Nuclear Information System (INIS)

Rentzepis, P.M.

1987-01-01

Lasers were at first operating in the pulsed mode. That was the ruby, Cr/sup 3+/, emitting at 694.3 nm with a few kilowatts power, several microseconds time width, and a rather broad non-smooth-spiky-intensity profile. Even with such a primitive laser source, several noteworthy, novel experiments were performed such as two photon processes and second harmonic generation. The advent of Q-switch lasers by means of dyes, Kerr cells and electro-optic crystals introduced the era of high power lasers and laser spectroscopy. The high intensity and rather smooth intensity versus time profile pulses emitted by ruby and Nd/sup 3+//glass lasers provided excellent means for non-linear spectroscopy studies and nanosecond Raman spectroscopy, a field which flourished ten years later. In the mid-sixties, the He/Ne laser was mode locked, and shortly thereafter, the Nd/sup 3+//glass laser was also mode locked and shown to emit picosecond duration pulses. This paper presents what one observes on the screen of an oscilloscope once a laser is set up so as to generate picosecond pulses by use of either a saturable absorbing dye or solid state modulator. What is seen is, of course, a train of pulses. It is characteristic of these pulses that their intensity is extremely high, in the gigawatt region. In this particular case, the band width is approximately twenty to thirty wavenumbers. The method utilized to measure the picosecond pulses, initially, was the two photon method. This paper also gives a more graphic illustration how this technique operates. This same procedure provides an extremely simple technique which the author believes made possible the initial development of the picosecond spectroscopy field

Development of picosecond pulsed electron beam monitor. 2

International Nuclear Information System (INIS)

Hosono, Y.; Nakazawa, M.; Ueda, T.

1994-01-01

A picosecond pulsed electron beam monitor for a 35 MeV linear accelerator has been developed. The monitor consists of an electric SMA connector and aluminium pipe(inner diameter of 50mm). The following characteristics of this monitor were obtained, (a) the rise time is less than 17.5 ps (b) linearity of the monitor output voltage is proportional to the peak current of beam. It is shown that this monitor can be successfully used for bunch measurements of picosecond pulsed electron beam of 35 MeV linac. (author)

Timely resolved measurements on CdSe nanoparticles; Zeitaufgeloeste Messungen an CdSe Nanopartikeln

Energy Technology Data Exchange (ETDEWEB)

Holt, B.E. von

2006-06-06

By means of infrared spectroscopy the influence of the organic cover on structure and dynamics of CdSe nanoparticles was studied. First a procedure was developed, which allows to get from the static infrared spectrum informations on the quality of the organic cover and the binding behaviour of the ligands. On qualitatively high-grade and well characterized samples thereafter the dynamics of the lowest-energy electron level 1S{sub e} was time-resolvedly meausred in thew visible range. As reference served CdSe TOPO, which was supplemented by samples with the ligands octanthiole, octanic acid, octylamine, naphthoquinone, benzoquinone, and pyridine. The studied nanoparticles had a diameter of 4.86 nm. By means of the excitation-scanning or pump=probe procedure first measurements in the picosecond range were performed. The excitation wavelengths were thereby spectrally confined and so chosen that selectively the transitions 1S{sub 3/2}-1S-e and 1P{sub 3/2}-1P{sub e} but not the intermediately lyingt transition 2S{sub 3/2}-1S{sub e} were excited. The excitation energies were kept so low that the excitation of several excitons in one crystal could be avoided. The scanning wavelength in the infrared corresponded to the energy difference between the electron levels 1S{sub e} and 1P{sub e}. The transients in the picosecond range are marked by a steep increasement of the signal, on which a multi-exponential decay follows. The increasement, which reproduces the popiulation of the excited state, isa inependent on the choice of the ligands. The influence of the organic cover is first visible in the different decay times of the excited electron levels. the decay of the measurement signal of CdSe TOPO can be approximatively described by three time constants: a decay constant in the early picosecond region, a time constant around hundert picoseconds, and a time constant of some nanoseconds. At increasing scanning wavelength the decay constants become longer. By directed excitation

Picosecond infrared activation of methanol in acid zeolites

NARCIS (Netherlands)

Bonn, Miacha; van Santen, Rutger A.; Lercher, J.A.; Kleyn, Aart W.; Bakker, H.J.; Bakker, Huib J.

1997-01-01

Highly porous, crystalline zeolite catalysts are used industrially to catalyze the conversion of methanol to gasoline. We have performed a picosecond spectroscopic study providing insights into both the structure and the dynamics of methanol adsorbed to acid zeolites. We reveal the adsorption

Development of a new picosecond pulse radiolysis system by using a femtosecond laser synchronized with a picosecond linac. A step to femtosecond pulse radiolysis

Energy Technology Data Exchange (ETDEWEB)

Yoshida, Yoichi; Yamamoto, Tamotsu; Miki, Miyako; Seki, Shu; Okuda, Shuichi; Honda, Yoshihide; Kimura, Norio; Tagawa, Seiichi [Osaka Univ., Ibaraki (Japan). Inst. of Scientific and Industrial Research; Ushida, Kiminori

1997-03-01

A new picosecond pulse radiolysis system by using a Ti sapphire femtosecond laser synchronized with a 20 ps electron pulse from the 38 MeV L-band linac has been developed for the research of the ultra fast reactions in primary processes of radiation chemistry. The timing jitter in the synchronization of the laser pulse with the electron pulse is less than several picosecond. The technique can be used in the next femtosecond pulse radiolysis. (author)

Femtosecond optical detection of quasiparticle dynamics in high- T sub c YBa sub 2 Cu sub 3 O sub 7 minus. delta. superconducting thin films

Energy Technology Data Exchange (ETDEWEB)

Han, S.G.; Vardeny, Z.V.; Wong, K.S.; Symko, O.G. (Department of Physics, University of Utah, Salt Lake City, UT (USA)); Koren, G. (Department of Physics, Technion, 32000 Haifa (Israel))

1990-11-19

Femtosecond dynamics of photogenerated quasiparticles in YBa{sub 2}Cu{sub 3}O{sub 7-{delta}} superconducting thin films shows, at {ital T}{le}{ital T}{sub {ital c}}, two main electronic processes: (i) quasiparticle avalanche production during hot-carrier thermalization, which takes about 300 fsec; (ii) recombination of quasiparticles to form Cooper pairs, which is completed within 5 psec. In contrastr, nonsuperconducting epitaxial films such as PrBa{sub 2}Cu{sub 2}O{sub 7} and YBa{sub 2}Cu{sub 3}O{sub 6} show regular picosecond electronic response.

A re-evaluation of the initial yield of the hydrated electron in the picosecond time range

International Nuclear Information System (INIS)

Muroya, Yusa; Lin Mingzhang; Wu, Guozhong; Iijima, Hokuto; Yoshii, Koji; Ueda, Toru; Kudo, Hisaaki; Katsumura, Yosuke

2005-01-01

The yield of the hydrated electron in the picosecond time range has been re-evaluated with an ultrafast pulse radiolysis system using a laser photocathode RF-gun in combination with a conventional one, and a value of 4.1±0.2 per 100 eV of absorbed energy at 20 ps was derived. This is consistent with recent experimental results using a time correlation method [Bartels et al., J. Phys. Chem. A 104, 1686-1691 (2000)] and with Monte-Carlo calculations [Muroya et al., Can. J. Chem. 80 1367-1374 (2002)

Electric field measurements in a dielectric barrier nanosecond pulse discharge with sub-nanosecond time resolution

International Nuclear Information System (INIS)

Goldberg, Benjamin M; Shkurenkov, Ivan; Adamovich, Igor V; Lempert, Walter R; O’Byrne, Sean

2015-01-01

The paper presents the results of time-resolved electric field measurements in a nanosecond discharge between two plane electrodes covered by dielectric plates, using picosecond four-wave mixing diagnostics. For absolute calibration, the IR signal was measured in hydrogen at a pressure of 440 Torr, for electrostatic electric field ranging from 0 to 8 kV cm −1 . The calibration curve (i.e. the square root of IR signal intensity versus electric field) was shown to be linear. By measuring the intensities of the pump, Stokes, and IR signal beam for each laser shot during the time sweep across the high-voltage pulse, temporal evolution of the electric field in the nanosecond pulse discharge was determined with sub-nanosecond time resolution. The results are compared to kinetic modeling predictions, showing good agreement, including non-zero electric field offset before the main high voltage pulse, breakdown moment, and reduction of electric field in the plasma after breakdown. The difference between the experimental results and model predictions is likely due to non-1D structure of the discharge. Comparison with the kinetic modeling predictions shows that electric field in the nanosecond pulse discharge is controlled primarily by electron impact excitation and charge accumulation on the dielectric surfaces. (paper)

Picosecond pulse radiolysis studies on geminate ion recombination in saturated hydrocarbon

International Nuclear Information System (INIS)

Tagawa, S.; Washio, M.; Kobayashi, H.; Katsumura, Y.; Tabata, Y.

1983-01-01

The geminate recombination kinetics of the excess electron and the electron hole are discussed, based on time-resolved data on picosecond and nanosecond time scales. The recombination times of the excess electron and the electron hole are evaluated to be 3 ps for cyclohexane on the basis of the comparison between the experimental and the calculated results. The spin correlation decay of the geminate ion pairs and the triplet state formation before the spin correlation loss have also been discussed. The rapidly decaying species with very broad absorption spectra, which are similar to the absorption spectra of the cation radicals of saturated hydrocarbons, have been observed in neat saturated hydrocarbons in the sub-nanosecond and a few nanosecond time regions. The identification of the rapidly decaying species were not definitely made but those species are tentatively assigned to the excited states and/or the tail of the geminate cation radicals of saturated hydrocarbons. (author)

Photoelectric characteristics of metal-Ga{sub 2}O{sub 3}-GaAs structures

Energy Technology Data Exchange (ETDEWEB)

Kalygina, V. M., E-mail: Kalygina@ngs.ru; Vishnikina, V. V.; Petrova, Yu. S.; Prudaev, I. A.; Yaskevich, T. M. [National Research Tomsk State University (Russian Federation)

2015-03-15

We investigate the effect of thermal annealing in argon and of oxygen plasma processing on the photoelectric properties of GaAs-Ga{sub 2}O{sub 3}-Me structures. Gallium-oxide films are fabricated by photostimulated electrochemical oxidation of epitaxial gallium-arsenide layers with n-type conductivity. The as-deposited films were amorphous, but their processing in oxygen plasma led to the nucleation of β-Ga{sub 2}O{sub 3} crystallites. The unannealed films are nontransparent in the visible and ultraviolet (UV) ranges and there is no photocurrent in structures based on them. After annealing at 900°C for 30 min, the gallium-oxide films contain only β-Ga{sub 2}O{sub 3} crystallites and become transparent. Under illumination of the Ga{sub 2}O{sub 3}-GaAs structures with visible light, the photocurrent appears. This effect can be attributed to radiation absorption in GaAs. The photocurrent and its voltage dependence are determined by the time of exposure to the oxygen plasma. In the UV range, the sensitivity of the structures increases with decreasing radiation wavelength, starting at λ ≤ 230 nm. This is due to absorption in the Ga{sub 2}O{sub 3} film. Reduction in the structure sensitivity with an increase in the time of exposure to oxygen plasma can be caused by the incorporation of defects both at the Ga{sub 2}O{sub 3}-GaAs interface and in the Ga{sub 2}O{sub 3} film.

Watching proteins function with picosecond X-ray crystallography and molecular dynamics simulations.

Science.gov (United States)

Anfinrud, Philip

2006-03-01

Time-resolved electron density maps of myoglobin, a ligand-binding heme protein, have been stitched together into movies that unveil with molecular dynamics (MD) calculations and picosecond time-resolved X-ray structures provides single-molecule insights into mechanisms of protein function. Ensemble-averaged MD simulations of the L29F mutant of myoglobin following ligand dissociation reproduce the direction, amplitude, and timescales of crystallographically-determined structural changes. This close agreement with experiments at comparable resolution in space and time validates the individual MD trajectories, which identify and structurally characterize a conformational switch that directs dissociated ligands to one of two nearby protein cavities. This unique combination of simulation and experiment unveils functional protein motions and illustrates at an atomic level relationships among protein structure, dynamics, and function. In collaboration with Friedrich Schotte and Gerhard Hummer, NIH.

Applications of picosecond lasers and pulse-bursts in precision manufacturing

Science.gov (United States)

Knappe, Ralf

2012-03-01

Just as CW and quasi-CW lasers have revolutionized the materials processing world, picosecond lasers are poised to change the world of micromachining, where lasers outperform mechanical tools due to their flexibility, reliability, reproducibility, ease of programming, and lack of mechanical force or contamination to the part. Picosecond lasers are established as powerful tools for micromachining. Industrial processes like micro drilling, surface structuring and thin film ablation benefit from a process, which provides highest precision and minimal thermal impact for all materials. Applications such as microelectronics, semiconductor, and photovoltaic industries use picosecond lasers for maximum quality, flexibility, and cost efficiency. The range of parts, manufactured with ps lasers spans from microscopic diamond tools over large printing cylinders with square feet of structured surface. Cutting glass for display and PV is a large application, as well. With a smart distribution of energy into groups of ps-pulses at ns-scale separation (known as burst mode) ablation rates can be increased by one order of magnitude or more for some materials, also providing a better surface quality under certain conditions. The paper reports on the latest results of the laser technology, scaling of ablation rates, and various applications in ps-laser micromachining.

Picosecond wide-field time-correlated single photon counting fluorescence microscopy with a delay line anode detector

Energy Technology Data Exchange (ETDEWEB)

Hirvonen, Liisa M.; Le Marois, Alix; Suhling, Klaus, E-mail: klaus.suhling@kcl.ac.uk [Department of Physics, King' s College London, Strand, London WC2R 2LS (United Kingdom); Becker, Wolfgang; Smietana, Stefan [Becker & Hickl GmbH, Nahmitzer Damm 30, 12277 Berlin (Germany); Milnes, James; Conneely, Thomas [Photek Ltd., 26 Castleham Rd, Saint Leonards-on-Sea TN38 9NS (United Kingdom); Jagutzki, Ottmar [Institut für Kernphysik, Max-von-Laue-Str. 1, 60438 Frankfurt (Germany)

2016-08-15

We perform wide-field time-correlated single photon counting-based fluorescence lifetime imaging (FLIM) with a crossed delay line anode image intensifier, where the pulse propagation time yields the photon position. This microchannel plate-based detector was read out with conventional fast timing electronics and mounted on a fluorescence microscope with total internal reflection (TIR) illumination. The picosecond time resolution of this detection system combines low illumination intensity of microwatts with wide-field data collection. This is ideal for fluorescence lifetime imaging of cell membranes using TIR. We show that fluorescence lifetime images of living HeLa cells stained with membrane dye di-4-ANEPPDHQ exhibit a reduced lifetime near the coverslip in TIR compared to epifluorescence FLIM.

Superlattice-like SnSb{sub 4}/Ga{sub 3}Sb{sub 7} thin films for ultrafast switching phase-change memory application

Energy Technology Data Exchange (ETDEWEB)

Hu, Yifeng [Tongji University, Key Laboratory of Advanced Civil Engineering Materials of Ministry of Education, Functional Materials Research Laboratory, School of Materials Science and Engineering, Shanghai (China); Jiangsu University of Technology, School of Mathematics and Physics, Changzhou (China); He, Zifang; Zhai, Jiwei [Tongji University, Key Laboratory of Advanced Civil Engineering Materials of Ministry of Education, Functional Materials Research Laboratory, School of Materials Science and Engineering, Shanghai (China); Wu, Pengzhi; Lai, Tianshu [Sun Yat-Sen University, State Key Laboratory of Optoelectronic Materials and Technology, Department of Physics, Guangzhou (China); Song, Sannian; Song, Zhitang [Chinese Academy of Sciences, State Key Laboratory of Functional Materials for Informatics, Shanghai Institute of Micro-system and Information Technology, Shanghai (China)

2015-11-15

The carrier concentration of Sb-rich phase SnSb{sub 4}, Ga{sub 3}Sb{sub 7} and superlattice-like [SnSb{sub 4}(3.5 nm)/Ga{sub 3}Sb{sub 7}(4 nm)]{sub 7} (SLL-7) thin films as a function of annealing temperature was investigated to explain the reason of resistance change. The activation energy for crystallization was calculated with a Kissinger equation to estimate the thermal stability. In order to illuminate the transition mechanisms, the crystallization kinetics of SLL-7 were explored by using Johnson-Mehl-Avrami theory. The obtained values of Avrami indexes indicate that a one-dimensional growth-dominated mechanism is responsible for the set transition of SLL-7 thin film. X-ray diffractometer and Raman scattering spectra were recorded to investigate the change of crystalline structure. The measurement of atomic force microscopy indicated that SLL-7 thin film has a good smooth surface. A picosecond laser pump-probe system was used to test and verify phase-change speed of the SLL-7 thin film. (orig.)

Temporal resolution technology of a soft X-ray picosecond framing camera based on Chevron micro-channel plates gated in cascade

Energy Technology Data Exchange (ETDEWEB)

Yang Wenzheng [State Key Laboratory of Transient Optics and Photonics, Xi' an Institute of Optics and Precision Mechanics, Chinese Academy of Sciences, Xi' an 710119 (China)], E-mail: ywz@opt.ac.cn; Bai Yonglin; Liu Baiyu [State Key Laboratory of Transient Optics and Photonics, Xi' an Institute of Optics and Precision Mechanics, Chinese Academy of Sciences, Xi' an 710119 (China); Bai Xiaohong; Zhao Junping; Qin Junjun [Key Laboratory of Ultra-fast Photoelectric Diagnostics Technology, Xi' an Institute of Optics and Precision Mechanics, Chinese Academy of Sciences, Xi' an 710119 (China)

2009-09-11

We describe a soft X-ray picosecond framing camera (XFC) based on Chevron micro-channel plates (MCPs) gated in cascade for ultra-fast process diagnostics. The micro-strip lines are deposited on both the input and the output surfaces of the Chevron MCPs and can be gated by a negative (positive) electric pulse on the first (second) MCP. The gating is controlled by the time delay T{sub d} between two gating pulses. By increasing T{sub d}, the temporal resolution and the gain of the camera are greatly improved compared with a single-gated MCP-XFC. The optimal T{sub d}, which results in the best temporal resolution, is within the electron transit time and transit time spread of the MCP. Using 250 ps, {+-}2.5 kV gating pulses, the temporal resolution of the double-gated Chevron MCPs camera is improved from 60 ps for the single-gated MCP-XFC to 37 ps for T{sub d}=350 ps. The principle is presented in detail and accompanied with a theoretic simulation and experimental results.

Time Resolved Detection of Infrared Synchrotron Radiation at DAΦNE

International Nuclear Information System (INIS)

Bocci, A.; Marcelli, A.; Drago, A.; Guidi, M. Cestelli; Pace, E.; Piccinini, M.; Sali, D.; Morini, P.; Piotrowski, J.

2007-01-01

Synchrotron radiation is characterized by a very wide spectral emission from IR to X-ray wavelengths and a pulsed structure that is a function of the source time structure. In a storage ring, the typical temporal distance between two bunches, whose duration is a few hundreds of picoseconds, is on the nanosecond scale. Therefore, synchrotron radiation sources are a very powerful tools to perform time-resolved experiments that however need extremely fast detectors. Uncooled IR devices optimized for the mid-IR range with sub-nanosecond response time, are now available and can be used for fast detection of intense IR sources such as synchrotron radiation storage rings. We present here different measurements of the pulsed synchrotron radiation emission at DAΦNE (Double Annular Φ-factory for Nice Experiments), the collider of the Laboratori Nazionali of Frascati (LNF) of the Istituto Nazionale di Fisica Nucleare (INFN), performed with very fast uncooled infrared detectors with a time resolution of a few hundreds of picoseconds. We resolved the emission time structure of the electron bunches of the DAΦNE collider when it works in a normal condition for high energy physics experiments with both photovoltaic and photoconductive detectors. Such a technology should pave the way to new diagnostic methods in storage rings, monitoring also source instabilities and bunch dynamics

Direct observation of free-exciton thermalization in quantum-well structures

DEFF Research Database (Denmark)

Umlauff, M.; Hoffmann, J.; Kalt, H.

1998-01-01

We report on a direct observation of free-exciton thermalization in quantum-well structures. A narrow energy distribution of free 1s excitons is created in ZnSe-based quantum wells by emission of one LO phonon after optical excitation of the continuum stales with picosecond laser pulses. The subs......We report on a direct observation of free-exciton thermalization in quantum-well structures. A narrow energy distribution of free 1s excitons is created in ZnSe-based quantum wells by emission of one LO phonon after optical excitation of the continuum stales with picosecond laser pulses...

Studies of the mechanical properties of planar and patterned films with picosecond ultrasonics

Science.gov (United States)

Antonelli, George Andrew

We describe a series of investigations of the mechanical properties of thin films and nanostructures. The experiments were performed with picosecond ultrasonics. In this method, sub-picosecond optical pulses are used to excite and detect acoustic phenomena. Several variations of the conventional experimental apparatus were developed and will be described. In the first study, we endeavor to analyze the vibrations of a nanostructure. From measurements of the change in the reflectivity, it is possible to determine the frequencies nun and damping rates Gamma n of a number of the normal modes of the structure. To understand the nature of these vibrations we developed a coarse-grained molecular dynamics model. By comparison of the measured nun and Gamma n with the frequencies and damping rates calculated from the computer simulation, we have been able to identify different normal modes and deduce their vibration patterns. We have also developed a new technique allowing the measurement of the transit time of an acoustic pulse in a thin film with great accuracy. This technique was applied to the study of elastic and anelastic effects in thin metal films. A strain was induced in the film either by heating the film-substrate system or bending the substrate. From measurements of these samples, we were able to extract a certain combination of second- and third-order elastic constants and detect the onset of plastic flow in the metal film. Finally, we describe a technique that can be used to generate high frequency surface waves. A transmission diffraction grating is formed on a transparent wafer, and then placed very close to the surface of the sample. A light pulse passing through the grating will give rise to a spatially-varying light intensity on the sample. This sets up a periodic thermal stress on the sample surface which in turn generates a standing surface acoustic wave.

Timing measurements at ELBE on multigap resistive plate chamber prototypes for NeuLAND

Energy Technology Data Exchange (ETDEWEB)

Yakorev, Dmitry; Bemmerer, Daniel; Cowan, Tom; Stach, Daniel; Wagner, Andreas [Forschungszentrum Dresden-Rossendorf (FZD), Dresden (Germany); Aumann, Tom; Boretzky, Konstanze; Hehner, Joerg; Heil, Michael; Prokopowicz, Wawrczek; Reifarth, Rene; Schrieder, Gerhard [Gesellschaft fuer Schwerionenforschung (GSI), Darmstadt (Germany); Elvers, Michael; Zilges, Andreas [Universitaet Koeln (Germany); Kratz, Jens Volker; Rossi, Dominic [Johannes-Gutenberg-Universitaet, Mainz (Germany)

2009-07-01

The NeuLAND detector for fast neutrons (0.2-1 GeV) at the R3B experiment at FAIR aims for high time and spatial resolutions ({sigma}{sub t}<100 ps, {sigma}{sub x,y,z}<1 cm). The detector will consist of about 60 sequences of a stacked structure from iron converter material and multigap resistive plate chambers (MRPC's). The secondary charged particles stemming from hadronic interactions of the high energetic neutrons in the converter will be detected in the MRPC's, with excellent timing properties. As part of the ongoing development of the NeuLAND detector, MRPC prototypes designed for this application have been studied at the superconducting electron linac ELBE in Dresden with its picosecond time structure. The ELBE experiments show that the prototypes studied so far have efficiency {>=}90% for minimum ionizing particles in a 2 x 2 gap structure and fulfill the called for time resolution.

Proton Radiography of Laser-Plasma Interactions with Picosecond Time Resolution

International Nuclear Information System (INIS)

Mackinnon, A J; Patel, P K; Town, R J; Hatchett, S P; Hicks, D; Phillips, T H; Wilks, S C; Price, D; Key, M H; Lasinski, B; Langdon, B; Borghesi, M; Romagnani, L; Kar, S

2005-01-01

Radiography of laser-produced plasmas with MeV protons has the potential to provide new information on plasma conditions in extreme states of matter. Protons with energies up to many hundreds MeV, produced by large scale accelerators have been recently been used to obtain mass density radiographs of the behavior of large samples which have been shocked on microsecond timescales with approximately mm spatial resolution. The recent discovery of laminar proton beams accelerated to multi-MeV energies by picosecond duration laser beams has provided the opportunity to probe dense plasmas with hitherto unparalleled temporal and spatial resolution

Resonance Raman spectroscopy in the picosecond time scale: the carboxyhemoglobin photointermediate

International Nuclear Information System (INIS)

Terner, J.; Spiro, T.G.; Nagumo, M.; Nicol, M.F.; El-Sayed, M.A.

1980-01-01

A picosecond resonance Raman detection technique is described. The technique is described as specifically applied to the analysis of carboxyhemoglobin (COHb). Irradiaton of COHb with a tightly focused laser produced three distinct bands between 1540 and 1620cm -1 that are distinct from bands of COHb or deoxyHb, and the bands are attributed to an intermediate in the photolysis of COHb which develops within 30ps of the excitation. Computer subtraction of the COHb spectrum yielded a spectrum of the photointermediate

Time-resolved photoelectron spectroscopy using synchrotron radiation time structure

International Nuclear Information System (INIS)

Bergeard, N.; Silly, M.G.; Chauvet, C.; Guzzo, M.; Ricaud, J.P.; Izquierdo, M.; Sirotti, F.; Krizmancic, D.; Guzzo, M.; Stebel, L.; Pittana, P.; Sergo, R.; Cautero, G.; Dufour, G.; Rochet, F.

2011-01-01

Synchrotron radiation time structure is becoming a common tool for studying dynamic properties of materials. The main limitation is often the wide time domain the user would like to access with pump-probe experiments. In order to perform photoelectron spectroscopy experiments over time scales from milliseconds to picoseconds it is mandatory to measure the time at which each measured photoelectron was created. For this reason the usual CCD camera based two-dimensional detection of electron energy analyzers has been replaced by a new delay-line detector adapted to the time structure of the SOLEIL synchrotron radiation source. The new two-dimensional delay-line detector has a time resolution of 5 ns and was installed on a Scienta SES 2002 electron energy analyzer. The first application has been to characterize the time of flight of the photo emitted electrons as a function of their kinetic energy and the selected pass energy. By repeating the experiment as a function of the available pass energy and of the kinetic energy, a complete characterization of the analyzer behaviour in the time domain has been obtained. Even for kinetic energies as low as 10 eV at 2 eV pass energy, the time spread of the detected electrons is lower than 140 ns. These results and the time structure of the SOLEIL filling modes assure the possibility of performing pump-probe photoelectron spectroscopy experiments with the time resolution given by the SOLEIL pulse width, the best performance of the beamline and of the experimental station. (authors)

Picosecond energy relaxation in La0.67Ca0.33MnO3

International Nuclear Information System (INIS)

Dorosinets, Vladimir; Richter, Pablo; Mohler, Ernst; Roskos, Hartmut G.; Jakob, Gerhard

2005-01-01

Investigating the reflectance response dynamics of La 0.67 Ca 0.33 MnO 3 thin films after excitation by femtosecond laser pulses, we identify for the first time a picosecond relaxation step which only exists below the Curie temperature T C . The relaxation time increases from zero at T C to several picoseconds at low temperatures. The data can be explained with the existence of a magnetization-related effective energy gap, and assuming relaxation between these states to be mediated by a Frohlich-type electron-lattice interaction

Dynamic Characterization of Fiber Optical Chirped Pulse Amplification for Sub-ps Pulses

DEFF Research Database (Denmark)

Cristofori, Valentina; Lali-Dastjerdi, Zohreh; Rishøj, Lars Søgaard

2013-01-01

We investigate experimentally the propagation of sub-picosecond pulses in fiber optical parametric chirped pulse amplifiers, showing a significant broadening of the pulses from 450 fs up to 720 fs due to dispersion and self-phase modulation.......We investigate experimentally the propagation of sub-picosecond pulses in fiber optical parametric chirped pulse amplifiers, showing a significant broadening of the pulses from 450 fs up to 720 fs due to dispersion and self-phase modulation....

Measurements of Electron Transport in Foils Irradiated with a Picosecond Time Scale Laser Pulse

International Nuclear Information System (INIS)

Brown, C. R. D.; Hoarty, D. J.; James, S. F.; Swatton, D.; Hughes, S. J.; Morton, J. W.; Guymer, T. M.; Hill, M. P.; Chapman, D. A.; Andrew, J. E.; Comley, A. J.; Shepherd, R.; Dunn, J.; Chen, H.; Schneider, M.; Brown, G.; Beiersdorfer, P.; Emig, J.

2011-01-01

The heating of solid foils by a picosecond time scale laser pulse has been studied by using x-ray emission spectroscopy. The target material was plastic foil with a buried layer of a spectroscopic tracer material. The laser pulse length was either 0.5 or 2 ps, which resulted in a laser irradiance that varied over the range 10 16 -10 19 W/cm 2 . Time-resolved measurements of the buried layer emission spectra using an ultrafast x-ray streak camera were used to infer the density and temperature conditions as a function of laser parameters and depth of the buried layer. Comparison of the data to different models of electron transport showed that they are consistent with a model of electron transport that predicts the bulk of the target heating is due to return currents.

Structural and magnetic evolution of nanostructured Co{sub 40}Fe{sub 10}Zr{sub 10}B{sub 40} prepared by mechanical alloying

Energy Technology Data Exchange (ETDEWEB)

Raanaei, Hossein, E-mail: hraanaei@yahoo.com [Department of Physics, Persian Gulf University, Bushehr 75169 (Iran, Islamic Republic of); Abbasi, Sadeq [Department of Physics, Persian Gulf University, Bushehr 75169 (Iran, Islamic Republic of); Behaein, Saeed [Department of Physics, Shiraz University, Shiraz 71454 (Iran, Islamic Republic of)

2015-06-15

The structural and magnetic properties of nanocrystalline alloy powder Co{sub 40}Fe{sub 10}Zr{sub 10}B{sub 40} prepared by mechanical alloying have been characterized by using X-ray diffraction (XRD), scanning electron microscope (SEM), vibrating sample magnetometer (VSM) and differential scanning calorimeter (DSC). It is shown that the crystallite size has been decreased significantly to about 15 nm after 8 h milling time. On continuing the milling time mechanical crystallization and subsequently the alloying process were noticed up to 190 h. Saturation magnetization decreased during the whole process while coercivity achieved the highest value at the crystallization stage. Post treatment of milled powder at 190 h revealed crystalline constituent elements. - Highlights: • This article focuses on mechanical alloying of Co{sub 40}Fe{sub 10}Zr{sub 10}B{sub 40} system. • Mechanical crystallization is observed. • Structural and magnetic properties were investigated. • The heat treatment revealed the crystalline phases of constituent elements.

Synthesis and characterization of (Lu{sub 1−x−y}Y{sub x}Ce{sub y}){sub 2}SiO{sub 5} luminescent powders with fast decay time

Energy Technology Data Exchange (ETDEWEB)

Aburto-Crespo, M. [Programa de Posgrado en Física de Materiales CICESE-UNAM, Km. 107 Carretera Tij-Ens, Ensenada, B. C. 22860, México (Mexico); Hirata, G.A., E-mail: hirata@cnyn.unam.mx [Centro de Nanociencias y Nanotecnología-Universidad Nacional Autónoma de México, Km. 107 Carretera Tijuana-Ensenada, Ensenada, B. C. 22860, México (Mexico); McKittrick, J. [University of California at San Diego, La Jolla, CA 92093-0411 (United States)

2013-04-15

The structural and luminescent properties of blue-emitting (Lu{sub 1−x−y}Y{sub x}Ce{sub y}){sub 2}SiO{sub 5} (0.1≤x≤0.4, y=0.05, 0.005) phosphors prepared by combustion synthesis and post-annealed at 1200 °C for different annealing times are reported. X-ray diffraction analysis revealed the formation of a (Lu,Y){sub 2}SiO{sub 5} solid solution as a majority phase with small traces of a residual phase that was identified as Lu{sub 2}SiO{sub 7}. Under long-UV excitation, the powders yield a very bright blue-emission consisting of two bands with maximum emissions located at λ=405 nm and λ=440 nm, both corresponding to the Ce{sup 3+} allowed transitions {sup 2}D{sub 3/2}→{sup 2}F{sub 5/2} and {sup 2}D{sub 5/2}→{sup 2}F{sub 7/2}, respectively. Moreover, luminescence decay times of 38–45 ns were measured, which depend on the composition, making these powders excellent candidates for application as scintillators in medical imaging. -- Highlights: ► A facile technique to fabricate (Lu,Y)-oxyorthosilicate nanophosphors is presented. ► The structural and excellent luminescent properties including excitation, emission and short decay times are reported. ► The Ce-doped oxyorthosilicates nanophosphors present a fast decay time of the order of 38–45 ns.

Generation of fast-rise time, repetitive, (sub) nanosecond, high-voltage pulses

NARCIS (Netherlands)

Huiskamp, T.; Pemen, A.J.M.

2017-01-01

In this contribution we present our fast-rise time nanosecond pulse generator, capable of generating up to 50 kV (positive and negative) rectangular pulses at a repetition rate of up to 1 kHz and with a rise time of less than 200 picoseconds. We focus on the general concepts involved in the design

Porous nanostructured ZnO films deposited by picosecond laser ablation

International Nuclear Information System (INIS)

Sima, Cornelia; Grigoriu, Constantin; Besleaga, Cristina; Mitran, Tudor; Ion, Lucian; Antohe, Stefan

2012-01-01

Highlights: ► We deposite porous nanostructured ZnO films by picoseconds laser ablation (PLA). ► We examine changes of the films structure on the experimental parameter deposition. ► We demonstrate PLA capability to produce ZnO nanostructured films free of particulates. - Abstract: Porous nanostructured polycrystalline ZnO films, free of large particulates, were deposited by picosecond laser ablation. Using a Zn target, zinc oxide films were deposited on indium tin oxide (ITO) substrates using a picosecond Nd:YVO 4 laser (8 ps, 50 kHz, 532 nm, 0.17 J/cm 2 ) in an oxygen atmosphere at room temperature (RT). The morpho-structural characteristics of ZnO films deposited at different oxygen pressures (150–900 mTorr) and gas flow rates (0.25 and 10 sccm) were studied. The post-deposition influence of annealing (250–550 °C) in oxygen on the film characteristics was also investigated. At RT, a mixture of Zn and ZnO formed. At substrate temperatures above 350 °C, the films were completely oxidized, containing a ZnO wurtzite phase with crystallite sizes of 12.2–40.1 nm. At pressures of up to 450 mTorr, the porous films consisted of well-distinguished primary nanoparticles with average sizes of 45–58 nm, while at higher pressures, larger clusters (3.1–14.7 μm) were dominant, leading to thicker films; higher flow rates favored clustering.

Picosecond lasers for tattoo removal: a systematic review.

Science.gov (United States)

Reiter, Ofer; Atzmony, Lihi; Akerman, Lehavit; Levi, Assi; Kershenovich, Ruben; Lapidoth, Moshe; Mimouni, Daniel

2016-09-01

Given that the pigment particles in tattoos have a relaxation time of tattoo removal. To systematically review the evidence regarding the effectiveness and safety of picosecond lasers for tattoo removal, Pubmed, Cochrane Central Register of Controlled Trials (CENTRAL), ClinicalTrials.gov, and reference lists were searched for relevant trials. The primary outcome was >70 % clearance of tattoo pigment. Secondary outcomes were 90-100 % clearance of tattoo pigment, number of laser sessions required, and adverse effects. Eight trials were included, six with human participants (160 participants) and 2 with animal models. Seven of the eight trials explored the usage of either 755, 758, 795, 1064, or 1064/532-nm picosecond lasers for black and blue ink tattoos. In the human trials, 69-100 % of tattoos showed over 70 % clearance of pigment after 1-10 laser treatments. Reported side effects included pain, hyperpigmentation and hypopigmentation, blister formation and transient erythema, edema, and pinpoint bleeding. Included articles varied in type of laser investigated, mostly non-comparative studies and with a medium to high risk of bias. There is sparse evidence that picosecond lasers are more effective than their nanosecond counterparts for mainly black and blue ink tattoo removal, with minor side effects.

Structural study of U(Pd sub 1 sub - sub x Fe sub x) sub 2 Ge sub 2 at high pressure

CERN Document Server

Sikolenko, V V; Pomjakushina, E V; Pomjakushin, V Y; Balagurov, A M; Keller, L; Glazkov, V P; Gribanov, A V; Goncharenko, I N; Savenko, B N

2003-01-01

The crystal structure of the U(Pd sub 1 sub - sub x Fe sub x) sub 2 Ge sub 2 compounds with Fe content x = 0- 0.03 and the crystal and magnetic structure of U(Pd sub 0 sub . sub 9 sub 8 Fe sub 0 sub . sub 0 sub 2) sub 2 Ge sub 2 at high external pressures up to 4.5 GPa were studied by means of powder neutron diffraction in the temperature range 1.5-300 K. With increasing Fe content the values of the lattice parameters and interatomic distances change only slightly, but it is known from previous experiments that the magnetic structure changes drastically for x >= 0.015. In contrast to this, high external pressure modifies the crystal structure more significantly while the magnetic structure remains unchanged. The results obtained allow one to infer that drastic changes in the magnetic structure of the U(Pd sub 1 sub - sub x Fe sub x) sub 2 Ge sub 2 compounds with increasing Fe content are a consequence of modification of the RKKY-type (RKKY standing for Ruderman, Kittel, Kasuya and Yosida) indirect exchange in...

Si nanostructures grown by picosecond high repetition rate pulsed laser deposition

International Nuclear Information System (INIS)

Pervolaraki, M.; Komninou, Ph.; Kioseoglou, J.; Athanasopoulos, G.I.; Giapintzakis, J.

2013-01-01

One-step growth of n-doped Si nanostructures by picosecond ultra fast pulsed laser deposition at 1064 nm is reported for the first time. The structure and morphology of the Si nanostructures were characterized by X-ray diffraction, scanning electron microscopy and atomic force microscopy. Transmission electron microscopy studies revealed that the shape of the Si nanostructures depends on the ambient argon pressure. Fibrous networks, cauliflower formations and Si rectangular crystals grew when argon pressure of 300 Pa, 30 Pa and vacuum (10 −3 Pa) conditions were used, respectively. In addition, the electrical resistance of the vacuum made material was investigated

Si nanostructures grown by picosecond high repetition rate pulsed laser deposition

Energy Technology Data Exchange (ETDEWEB)

Pervolaraki, M., E-mail: pervolaraki@ucy.ac.cy [Nanotechnology Research Center and Department of Mechanical and Manufacturing Engineering, University of Cyprus, 75 Kallipoleos Av., PO Box 20537, 1678 Nicosia (Cyprus); Komninou, Ph.; Kioseoglou, J. [Department of Physics, Aristotle University of Thessaloniki, GR-54124 Thessaloniki (Greece); Athanasopoulos, G.I. [Nanotechnology Research Center and Department of Mechanical and Manufacturing Engineering, University of Cyprus, 75 Kallipoleos Av., PO Box 20537, 1678 Nicosia (Cyprus); Giapintzakis, J., E-mail: giapintz@ucy.ac.cy [Nanotechnology Research Center and Department of Mechanical and Manufacturing Engineering, University of Cyprus, 75 Kallipoleos Av., PO Box 20537, 1678 Nicosia (Cyprus)

2013-08-01

One-step growth of n-doped Si nanostructures by picosecond ultra fast pulsed laser deposition at 1064 nm is reported for the first time. The structure and morphology of the Si nanostructures were characterized by X-ray diffraction, scanning electron microscopy and atomic force microscopy. Transmission electron microscopy studies revealed that the shape of the Si nanostructures depends on the ambient argon pressure. Fibrous networks, cauliflower formations and Si rectangular crystals grew when argon pressure of 300 Pa, 30 Pa and vacuum (10{sup −3} Pa) conditions were used, respectively. In addition, the electrical resistance of the vacuum made material was investigated.

Evidence of liquid phase during laser-induced periodic surface structures formation induced by accumulative ultraviolet picosecond laser beam

Energy Technology Data Exchange (ETDEWEB)

Huynh, T. T. D.; Petit, A.; Semmar, N., E-mail: nadjib.semmar@univ-orleans.fr [GREMI, UMR7344, CNRS/University of Orleans, 14 rue d' Issoudun, BP6744, 45067 Orleans Cedex 2 (France); Vayer, M. [ICMN, UMR 7374, CNRS/University of Orleans, 1b rue de la Ferollerie, CS 40059, 45071 Orleans Cedex (France); Sauldubois, A. [CME, UFR Sciences, University of Orleans, 1 Rue de Chartres, BP 6759, 45067 Orleans Cedex 2 (France)

2015-11-09

Laser-induced periodic surface structures (LIPSS) were formed on Cu/Si or Cu/glass thin films using Nd:YAG laser beam (40 ps, 10 Hz, and 30 mJ/cm{sup 2}). The study of ablation threshold is always achieved over melting when the variation of the number of pulses increases from 1 to 1000. But the incubation effect is leading to reduce the threshold of melting as increasing the number of laser pulse. Also, real time reflectivity signals exhibit typical behavior to stress the formation of a liquid phase during the laser-processing regime and helps to determine the threshold of soft ablation. Atomic Force Microscopy (AFM) analyses have shown the topology of the micro-crater containing regular spikes with different height. Transmission Electron Microscopy (TEM) allows finally to show three distinguished zones in the close region of isolated protrusions. The central zone is a typical crystallized area of few nanometers surrounded by a mixed poly-crystalline and amorphous area. Finally, in the region far from the protrusion zone, Cu film shows an amorphous structure. The real time reflectivity, AFM, and HR-TEM analyses evidence the formation of a liquid phase during the LIPSS formation in the picosecond regime.

SrBeB{sub 2}O{sub 5}: Growth, crystal structure and optical properties

Energy Technology Data Exchange (ETDEWEB)

Yao, Wenjiao; Wang, Xiaoshan [Center for Crystal Research and Development, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190 (China); University of the Chinese Academy of Sciences, Beijing 100049 (China); Huang, Hongwei [National Laboratory of Mineral Materials, School of Materials Science and Technology, China University of Geosciences, Beijing 100083 (China); Xu, Tao; Jiang, Xingxing [Center for Crystal Research and Development, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190 (China); University of the Chinese Academy of Sciences, Beijing 100049 (China); Wang, Xiaoyang [Center for Crystal Research and Development, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190 (China); Lin, Zheshuai, E-mail: zslin@mail.ipc.ac.cn [Center for Crystal Research and Development, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190 (China); Chen, Chuangtian [Center for Crystal Research and Development, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190 (China)

2014-04-01

Graphical abstract: The crystal displays a layered configuration along c axis with the wrinkled infinite (BeB{sub 2}O{sub 5}){sub ∞} layers. Display Omitted - Highlights: • A new beryllium borate SrBeB{sub 2}O{sub 5} was synthesized. • A layered structure (BeB{sub 2}O{sub 5}){sub ∞} was formed by BO{sub 3} triangles and B/BeO{sub 4} tetrahedrons. • SrBeB{sub 2}O{sub 5} has a very wide transparency range of wavelengths from 200 nm to 1800 nm. • A-site ions impact greatly on the structures of beryllium borates. - Abstract: A novel beryllium borate SrBeB{sub 2}O{sub 5} is discovered for the first time through traditional solid state reaction and high temperature solution method. The framework of the structure is composed by two-dimensional [BeB{sub 2}O{sub 5}] layers determined from single-crystal X-ray diffraction data. The further structural analysis of beryllium borates reveals that the arrangement of anionic groups attributes to the structural stability. Moreover, the influences of the A-site cations on the structural features of fundamental building blocks in the alkaline or alkaline earth beryllium borates are discussed. The UV–Vis–NIR diffuse-reflectance pattern reveals that this compound has a very wide transparency range of wavelengths down to 200 nm. In addition, the properties of SrBeB{sub 2}O{sub 5} were also characterized by powder X-ray diffraction, differential scanning calorimetry, and IR spectroscopy.

Electric field measurements in a nanosecond pulse discharge by picosecond CARS/4-wave mixing

Science.gov (United States)

Goldberg, Ben; Shkurenkov, Ivan; Adamovich, Igor; Lempert, Walter

2014-10-01

Time-resolved electric field measurements in hydrogen by picosecond CARS/4-wave mixing are presented. Measurements are carried out in a high voltage nanosecond pulse discharge in hydrogen in plane-to-plane geometry, at pressures of up to several hundred Torr, and with a time resolution of 0.2 ns. Absolute calibration of the diagnostics is done using a sub-breakdown high voltage pulse of 12 kV/cm. A diffuse discharge is obtained by applying a peak high voltage pulse of 40 kV/cm between the electrodes. It is found that breakdown occurs at a lower field, 15--20 kV/cm, after which the field in the plasma is reduced rapidly due to plasma self shielding The experimental results are compared with kinetic modeling calculations, showing good agreement between the measured and the predicted electric field.

Quaternary (FeIn{sub 2}S{sub 4}){sub x}(MnIn{sub 2}S{sub 4}){sub 1-x} alloys and photosensitive structures on their basis

Energy Technology Data Exchange (ETDEWEB)

Bodnar, I. V. [Belarusian State University of Informatics and Radioelectronics (Belarus); Rud, V. Yu., E-mail: rudvas.spb@gmail.com [St. Petersburg State Polytechnical University (Russian Federation); Rud, Yu. V. [Russian Academy of Sciences, Ioffe Physical Technical Institute (Russian Federation); Lozhkin, D. V. [Belarusian State University of Informatics and Radioelectronics (Belarus)

2011-07-15

Using directional crystallization of the melt of the (FeIn{sub 2}S{sub 4}){sub x}(MnIn{sub 2}S{sub 4}){sub 1-x} alloy, homogeneous crystals of a similar atomic composition are grown over the entire range of compositions 1 {>=} x {>=} 0. It is established that the crystals of the continuous series of quaternary alloys in the range x = 0-1 crystallize in the spinel structure and lattice parameter a linearly depends on x. It is established that it is possible to obtain In(Al)/(FeIn{sub 2}S{sub 4}){sub x}(MnIn{sub 2}S{sub 4}){sub 1-x} photosensitive structures. Room-temperature spectra of relative quantum efficiency of photoconversion of the In(Al)/(FeIn{sub 2}S{sub 4}){sub x}(MnIn{sub 2}S{sub 4}){sub 1-x} structures fabricated for the first time are obtained. From the analysis of these spectra, activation energies of direct and indirect band-to-band transitions for the crystals of the (FeIn{sub 2}S{sub 4}){sub x}(MnIn{sub 2}S{sub 4}){sub 1-x} alloys are determined and the dependence of these parameters on the composition of the position-disordered phases of mentioned alloys is discussed. It is concluded that the crystals of the (FeIn{sub 2}S{sub 4}){sub x}(MnIn{sub 2}S{sub 4}){sub 1-x} alloys can be used in broadband photoconverters of optical radiation.

The Li–Si–(O)–N system revisited: Structural characterization of Li{sub 21}Si{sub 3}N{sub 11} and Li{sub 7}SiN{sub 3}O

Energy Technology Data Exchange (ETDEWEB)

Casas-Cabanas, M. [CIC energiGUNE, Parque Tecnológico de Álava, Albert Einstein 48, ED.CIC, 01510 Miñano (Spain); Santner, H. [Institut de Ciència de Materials de Barcelona (CSIC) Campus UAB, 08193 Bellaterra, Catalonia (Spain); Palacín, M.R., E-mail: rosa.palacin@icmab.es [Institut de Ciència de Materials de Barcelona (CSIC) Campus UAB, 08193 Bellaterra, Catalonia (Spain)

2014-05-01

A systematic study of the Li–Si–(O)–N system is presented. The synthetic conditions to prepare Li{sub 2}SiN{sub 2}, Li{sub 5}SiN{sub 3}, Li{sub 18}Si{sub 3}N{sub 10}, Li{sub 21}Si{sub 3}N{sub 11} and Li{sub 7}SiN{sub 3}O are described and the structure of the last two compounds has been solved for the first time. While Li{sub 21}Si{sub 3}N{sub 11} crystallizes as a superstructure of the anti-fluorite structure with Li and Si ordering, Li{sub 7}SiN{sub 3}O exhibits the anti-fluorite structure with both anion and cation disorder. - Graphical abstract: A systematic study of the Li–Si–(O)–N system is presented. Li{sub 21}Si{sub 3}N{sub 11} crystallizes as a superstructure of the anti-fluorite structure with Li and Si ordering, Li{sub 7}SiN{sub 3}O exhibits the anti-fluorite structure with both anion and cation disorder. - Highlights: • Li{sub 2}SiN{sub 2}, Li{sub 5}SiN{sub 3}, Li{sub 18}Si{sub 3}N{sub 10}, Li{sub 21}Si{sub 3}N{sub 11} and Li{sub 7}SiN{sub 3}O are prepared. • The structures of Li{sub 21}Si{sub 3}N{sub 11} and Li{sub 7}SiN{sub 3}O are presented. • Li{sub 21}Si{sub 3}N{sub 11} exhibits an anti-fluorite superstructure with Li and Si ordering.

ELYSE, a new picosecond electron accelerator at Orsay

International Nuclear Information System (INIS)

Belloni, J.D.; Gaillard, M.; Monard, H.; Larbre, J.-P.; Gobert, F.; Mostafavi, M.; Lampre, I.; Marignier, J.-L.

2003-01-01

ELYSE is a new instrument allowing to study fast kinetics processes at picosecond range by the complementary techniques of pulse radiolysis and laser photochemistry which was installed by the Laboratoire de Chimie Physique, University Paris-Sud, at Orsay. It was designed and constructed by the Linear Accelerator Laboratory, Orsay. The accelerator is a RF photocathode electron gun type which will deliver electron pulses of less than 5 ps FWHM. The Cs 2 Te cathode was chosen because of its high efficiency and long life time. Photoelectrons are generated by a picosecond synchronized laser system with a normal incidence. The charge per pulse is 1 nC with a dark current less than 1 % and a repetition frequency 1 to 50 Hz. Other detailed specifications of the accelerator, of the laser and of the optical spectroscopy detection set-up are described

Formation, stability and structural characterization of ternary MgUO{sub 2}(CO{sub 3}){sub 3}{sup 2-} and Mg{sub 2}UO{sub 2}(CO{sub 3}){sub 3}(aq) complexes

Energy Technology Data Exchange (ETDEWEB)

Lee, Jun-Yeop; Yun, Jong-Il [KAIST, Daejeon (Korea, Republic of). Dept. of Nuclear and Quantum Engineering; Vespa, Marika; Gaona, Xavier; Dardenne, Kathy; Rothe, Joerg; Rabung, Thomas; Altmaier, Marcus [Karlsruhe Institute of Technology, Karlsruhe (Germany). Inst. for Nuclear Waste Disposal

2017-06-01

The formation of ternary Mg-UO{sub 2}-CO{sub 3} complexes under weakly alkaline pH conditions was investigated by time-resolved laser fluorescence spectroscopy (TRLFS) and extended X-ray absorption fine structure (EXAFS) and compared to Ca-UO{sub 2}-CO{sub 3} complexes. The presence of two different Mg-UO{sub 2}-C{sub 3} complexes was identified by means of two distinct fluorescence lifetimes of 17±2 ns and 51±2 ns derived from the multi-exponential decay of the fluorescence signal. Slope analysis in terms of fluorescence intensity coupled with fluorescence intensity factor as a function of log [Mg(II)] was conducted for the identification of the Mg-UO{sub 2}-CO{sub 3} complexes forming. For the first time, the formation of both MgUO{sub 2}(CO{sub 3}){sub 3}{sup 2-} and Mg{sub 2}UO{sub 2}(CO{sub 3}){sub 3}(aq) species was confirmed and the corresponding equilibrium constants were determined as log β {sub 113}=25.8±0.3 and β {sub 213}=27.1±0.6, respectively. Complementarily, fundamental structural information for both Ca-UO{sub 2}-CO{sub 3} and Mg-UO{sub 2}-CO{sub 3} complexes was gained by extended EXAFS revealing very similar structures between these two species, except for the clearly shorter U-Mg distance (3.83 Aa) compared with U-Ca distance (4.15 Aa). These results confirmed the inner-sphere character of the Ca/Mg-UO{sub 2}-CO{sub 3} complexes. The formation constants determined for MgUO{sub 2}(CO{sub 3}){sub 3}{sup 2-} and Mg{sub 2}UO{sub 2}(CO{sub 3}){sub 3}(aq) species indicate that ternary Mg-UO{sub 2}-CO{sub 3} complexes contribute to the relevant uranium species in carbonate saturated solutions under neutral to weakly alkaline pH conditions in the presence of Mg(II) ions, which will induce notable influences on the U(VI) chemical species under seawater conditions.

Formation of Porous Structure with Subspot Size under the Irradiation of Picosecond Laser Pulses

Directory of Open Access Journals (Sweden)

Bin Liu

2013-01-01

Full Text Available A study was presented in this paper on porous structure with microsize holes significantly smaller than laser spot on the stainless steel 304 target surface induced by a picosecond Nd:van regenerative amplified laser, operating at 1064 nm. The target surface variations were studied in air ambience. The estimated surface damage threshold was 0.15 J/cm2. The target specific surface changes and phenomena observed supported a complementary study on the formation and growth of the subspot size pit holes on metal surface with dependence of laser pulse number of 50–1000 and fluences of 0.8 and 1.6 J/cm2. Two kinds of porous structures were presented: periodic holes are formed from Coulomb Explosion during locally spatial modulated ablation, and random holes are formed from the burst of bubbles in overheated liquid during phase explosion. It can be concluded that it is effective to fabricate a large metal surface area of porous structure by laser scanning regime. Generally, it is also difficult for ultrashort laser to fabricate the microporous structures compared with traditional methods. These porous structures potentially have a number of important applications in nanotechnology, industry, nuclear complex, and so forth.

Spectroscopy and picosecond dynamics of aqueous NO{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Gadegaard, Ane Riis; Thøgersen, Jan; Jensen, Svend Knak; Nielsen, Jakob Brun; Jensen, Frank; Keiding, Søren Rud, E-mail: keiding@chem.au.dk [Department of Chemistry, Aarhus University, Langelandsgade 140, DK 8000 Aarhus C (Denmark); Jena, Naresh K.; Odelius, Michael [Department of Physics, Albanova University Center, Stockholm University, S-106 91 Stockholm (Sweden)

2014-08-14

We investigate the formation of aqueous nitrogen dioxide, NO{sub 2} formed through femtosecond photolysis of nitrate, NO{sub 3}{sup −}(aq) and nitromethane CH{sub 3}NO{sub 2}(aq). Common to the experiments is the observation of a strong induced absorption at 1610 ± 10 cm{sup −1}, assigned to the asymmetric stretch vibration in the ground state of NO{sub 2}. This assignment is substantiated through isotope experiments substituting {sup 14}N by {sup 15}N, experiments at different pH values, and by theoretical calculations and simulations of NO{sub 2}–D{sub 2}O clusters.

Magnetic and Structural Properties of the Mechanically Alloyed Nd{sub 2}(Fe{sub 100-x}Nb{sub x}){sub 14}B System

Energy Technology Data Exchange (ETDEWEB)

Lozano, D. Oyola, E-mail: doyola@ut.edu.co [University of Tolima, Department of Physics (Colombia); Zamora, L. E.; Perez Alcazar, G. A. [University of Valle, Department of Physics (Colombia); Rojas, Y. A.; Bustos, H. [University of Tolima, Department of Physics (Colombia); Greneche, J. M. [UMR CNRS 6087, Laboratoire de Physique de l' Etat Condense (France)

2005-02-15

In this work we report the magnetic and structural properties obtained by Moessbauer spectrometry, Vibrating Sample Magnetometer and X-ray diffraction of milled powders with initial composition Nd{sub 2}(Fe{sub 100-x}Nb{sub x}){sub 14}B with x = 0 and x = 4. The mixtures were ball milled for different times up to 240 h. Structural and microstructural parameters were derived from high statistics X-ray patterns and discussed as a function of milling time. The Moessbauer spectra of the samples were fitted by means of a sextet and an hyperfine field distribution, associated to a pure iron phase ({alpha}-Fe) and a disordered iron-based phase, respectively. The {alpha}-Fe grain size decreases from 50 nm for 6 h up to 5 nm for 240 h milling time. The Vibrating Sample Magnetometer results allow to conclude that these samples behave as soft ferromagnets.

Vibrational spectrum of the K-590 intermediate in the bacteriorhodopsin photocycle at room temperature: picosecond time-resolved resonance coherent anti-Raman spectroscopy

Science.gov (United States)

Ujj, L.; Jäger, F.; Popp, A.; Atkinson, G. H.

1996-12-01

The vibrational spectrum of the K-590 intermediate, thought to contribute significantly to the energy storage and transduction mechanism in the bacteriorhodopsin (BR) photocycle, is measured at room temperature using picosecond time-resolved resonance coherent anti-Stokes Raman scattering (PTR/CARS). The room-temperature BR photocycle is initiated by the 3 ps, 570 nm excitation of the ground-state species, BR-570, prepared in both H 2O and D 2O suspensions of BR. PTR/CARS data, recorded 50 ps after BR-570 excitation, at which time only BR-570 and K-590 are present, have an excellent S/N which provides a significantly more detailed view of the K-590 vibrational degrees of freedom than previously available. Two picosecond (6 ps FWHM) laser pulses, ω1 (633.4 nm) and ωS (675-700 nm), are used to record PTR/CARS data via electronic resonance enhancement in both BR-570 and K-590, each of which contains a distinct retinal structure (assigned as 13- rans, 15- anti, 13- cis, respectively). To obtain the vibrational spectrum of K-590 separately, the PTR/CARS spectra from the mixture of isomeric retinals is quantitatively analyzed in terms of third-order susceptibility ( η(3)) relationships. PTR/CARS spectra of K-590 recorded from both H 2O and D 2O suspensions of BR are compared with the analogous vibrational data obtained via spontaneous resonance Raman (RR) scattering at both low (77 K) and room temperature. Analyses of these vibrational spectra identify temperature-dependent effects and changes assignable to the substitution of deuterium at the Schiff-base nitrogen not previously reported.

Crystal structure relation between tetragonal and orthorhombic CsAlD{sub 4}: DFT and time-of-flight neutron powder diffraction studies

Energy Technology Data Exchange (ETDEWEB)

Bernert, Thomas; Krech, Daniel; Felderhoff, Michael; Weidenthaler, Claudia [Department of Heterogeneous Catalysis, Max-Planck-Institut fuer Kohlenforschung, Muelheim/Ruhr (Germany); Kockelmann, Winfried [Rutherford Appleton Laboratory, Harwell Oxford, Didcot (United Kingdom); Frankcombe, Terry J. [Research School of Chemistry, The Australian National University, Canberra, ACT (Australia); School of Physical, Environmental and Mathematic Sciences, The University of New South Wales, Canberra, ACT (Australia)

2015-11-15

The crystal structures of orthorhombic and tetragonal CsAlD{sub 4} were refined from time-of-flight neutron powder diffraction data starting from atomic positions predicted from DFT calculations. The earlier proposed crystal structure of orthorhombic CsAlH{sub 4} is confirmed. For tetragonal CsAlH{sub 4}, DFT calculations predicted a crystal structure in I4{sub 1}/amd as potential minimum structure, while from neutron diffraction studies of CsAlD{sub 4} best refinement is obtained for a disordered structure in the space group I4{sub 1}/a, with a = 5.67231(9) Aa, c = 14.2823(5) Aa. While the caesium atoms are located on the Wyckoff position 4b and aluminium at Wyckoff position 4a, there are two distinct deuterium positions at the Wyckoff position 16f with occupancies of 50 % each. From this structure, the previously reported phase transition between the orthorhombic and tetragonal polymorphs could be explained. (Copyright copyright 2015 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Exploration of R<sub>2sub>XM>2sub> (R=Sc, Y, Ti, Zr, Hf, rare earth; X=main group element; M=transition metal, Si, Ge): Structural Motifs, the novel Compound Gd<sub>2sub>AlGe>2sub> and Analysis of the U<sub>3sub>Si>2sub> and Zr<sub>3sub>Al>2 sub>Structure Types

Energy Technology Data Exchange (ETDEWEB)

McWhorter, Sean William [Iowa State Univ., Ames, IA (United States)

2006-01-01

In the process of exploring and understanding the influence of crystal structure on the system of compounds with the composition Gd<sub>5sub>(Si_xGe>1-xsub>)>4sub> several new compounds were synthesized with different crystal structures, but similar structural features. In Gd<sub>5sub>(Si_xGe>1-xsub>)>4sub>, the main feature of interest is the magnetocaloric effect (MCE), which allows the material to be useful in magnetic refrigeration applications. The MCE is based on the magnetic interactions of the Gd atoms in the crystal structure, which varies with x (the amount of Si in the compound). The crystal structure of Gd<sub>5sub>(Si_xGe>1-xsub>)>4sub> can be thought of as being formed from two 3²434 nets of Gd atoms, with additional Gd atoms in the cubic voids and Si/Ge atoms in the trigonal prismatic voids. Attempts were made to substitute nonmagnetic atoms for magnetic Gd using In, Mg and Al. Gd<sub>2sub>MgGe>2sub> and Gd<sub>2sub>InGe>2sub> both possess the same 3²434 nets of Gd atoms as Gd<sub>5sub>(Si_xGe>1-xsub>)>4sub>, but these nets are connected differently, forming the Mo<sub>2sub>FeB>2sub> crystal structure. A search of the literature revealed that compounds with the composition R<sub>2sub>XM>2sub> (R=Sc, Y, Ti, Zr, Hf, rare earth; X=main group element; M=transition metal, Si, Ge) crystallize in one of four crystal structures: the Mo<sub>2sub>FeB>2sub>, Zr<sub>3sub>Al>2sub>, Mn<sub>2sub>AlB>2sub> and W<sub>2sub>CoB>2sub> crystal structures. These crystal structures are described, and the relationships between them are highlighted. Gd<sub>2sub>AlGe>2sub> forms an entirely new crystal structure, and the details of its synthesis and characterization are given. Electronic structure calculations are performed to understand the nature of bonding in this compound and how

A protection system for picosecond accelerator

International Nuclear Information System (INIS)

Cao Hongping; Chinese Academy of Sciences, Beijing; Chen Huanguang; Xu Ruinian; Tang Junlong; Li Deming

2006-01-01

A personnel and machine protection system for the picosecond accelerator has been built. The key of the system is to send on/off of three triggering signals which are those of electron gun, 2856 MHz and 476 MHz, respectively, to ensure the safety of users and the accelerator. This paper describes the emergencies interlocked by ADAM5511 and timing trigger processor, and some secondary functions which improve the efficiency of the protection system completed in upper layer software. (authors)

Characterisation of weld zone reactions in dissimilar glass-to-aluminium pulsed picosecond laser welds

Energy Technology Data Exchange (ETDEWEB)

Ciuca, Octav P., E-mail: octav.ciuca@manchester.ac.uk [School of Materials, University of Manchester, Manchester, M13 9PL (United Kingdom); Carter, Richard M. [Institute of Photonics and Quantum Sciences, Heriot-Watt University, Edinburgh, EH14 4AS (United Kingdom); Prangnell, Philip B. [School of Materials, University of Manchester, Manchester, M13 9PL (United Kingdom); Hand, Duncan P. [Institute of Photonics and Quantum Sciences, Heriot-Watt University, Edinburgh, EH14 4AS (United Kingdom)

2016-10-15

Precision welded joints, produced between fused silica glass and aluminium by a newly-developed picosecond-pulse laser technique, have been analysed for the first time using a full range of electron microscopy methods. The welds were produced as lap joints by focusing a 1.2 μm diameter laser beam through the transparent glass top sheet, slightly below the surface of the metal bottom sheet. Despite the extremely short interaction time, extensive reaction was observed in the weld zone, which involved the formation of nanocrystalline silicon and at least two transitional alumina phases, γ- and δ-Al{sub 2}O{sub 3}. The weld formation process was found to be complex and involved: the formation of a constrained plasma cavity at the joint interface, non-linear absorption in the glass, and the creation of multiple secondary keyholes in the metal substrate by beam scattering. The joint area was found to expand outside of the main interaction volume, as the energy absorbed into the low conductivity and higher melting point silica glass sheet melted the aluminium surface across a wider contact area. The reasons for the appearance of nanocrystalline Si and transitional alumina reaction products within the welds are discussed. - Highlights: •Pulsed laser welding of dissimilar materials causes extensive chemical reactivity. •Metastable Al{sub 2}O{sub 3} phases form due to laser-induced highly-transient thermal regime. •Fused silica is reduced by Al to form nanocrystalline Si. •Mechanism of joint formation is discussed.

Freezing hot electrons. Electron transfer and solvation dynamics at D{sub 2}O and NH{sub 3}-metal interfaces

Energy Technology Data Exchange (ETDEWEB)

Staehler, A.J.

2007-05-15

The present work investigates the electron transfer and solvation dynamics at the D{sub 2}O/Cu(111), D{sub 2}O/Ru(001), and NH{sub 3}/Cu(111) interfaces using femtosecond time-resolved two-photon photoelectron spectroscopy. Within this framework, the influence of the substrate, adsorbate structure and morphology, solvation site, coverage, temperature, and solvent on the electron dynamics are studied, yielding microscopic insight into the underlying fundamental processes. Transitions between different regimes of ET, substrate-dominated, barrier-determined, strong, and weak coupling are observed by systematic variation of the interfacial properties and development of empirical model descriptions. It is shown that the fundamental steps of the interfacial electron dynamics are similar for all investigated systems: Metal electrons are photoexcited to unoccupied metal states and transferred into the adlayer via the adsorbate's conduction band. The electrons localize at favorable sites and are stabilized by reorientations of the surrounding polar solvent molecules. Concurrently, they decay back two the metal substrate, as it offers a continuum of unoccupied states. However, the detailed characteristics vary for the different investigated interfaces: For amorphous ice-metal interfaces, the electron transfer is initially, right after photoinjection, dominated by the substrate's electronic surface band structure. With increasing solvation, a transient barrier evolves at the interface that increasingly screens the electrons from the substrate. Tunneling through this barrier becomes the rate-limiting step for ET. The competition of electron decay and solvation leads to lifetimes of the solvated electrons in the order of 100 fs. Furthermore, it is shown that the electrons bind in the bulk of the ice layers, but on the edges of adsorbed D{sub 2}O clusters and that the ice morphology strongly influences the electron dynamics. For the amorphous NH{sub 3}/Cu(111

Hydration and temperature interdependence of protein picosecond dynamics.

Science.gov (United States)

Lipps, Ferdinand; Levy, Seth; Markelz, A G

2012-05-14

We investigate the nature of the solvent motions giving rise to the rapid temperature dependence of protein picoseconds motions at 220 K, often referred to as the protein dynamical transition. The interdependence of picoseconds dynamics on hydration and temperature is examined using terahertz time domain spectroscopy to measure the complex permittivity in the 0.2-2.0 THz range for myoglobin. Both the real and imaginary parts of the permittivity over the frequency range measured have a strong temperature dependence at >0.27 h (g water per g protein), however the permittivity change is strongest for frequencies 1 THz, and 0.27 h for frequencies <1 THz. The data are consistent with the dynamical transition solvent fluctuations requiring only clusters of ~5 water molecules, whereas the enhancement of lowest frequency motions requires a fully spanning water network. This journal is © the Owner Societies 2012

A new front-face optical cell for measuring weak fluorescent emissions with time resolution in the picosecond time scale.

Science.gov (United States)

Gryczynski, Z; Bucci, E

1993-11-01

Recent developments of ultrafast fluorimeters allow measuring time-resolved fluorescence on the picosecond time scale. This implies one is able to monitor lifetimes and anisotropy decays of highly quenched systems and of systems that contain fluorophores having lifetimes in the subnanosecond range; both systems that emit weak signals. The combination of weak signals and very short lifetimes makes the measurements prone to distortions which are negligible in standard fluorescence experiments. To cope with these difficulties, we have designed a new optical cell for front-face optics which offers to the excitation beam a horizontal free liquid surface in the absence of interactions with optical windows. The new cell has been tested with probes of known lifetimes and anisotropies. It proved very useful in detecting tryptophan fluorescence in hemoglobin. If only diluted samples are available, which cannot be used in front-face optics, regular square geometry can still be utilized by inserting light absorbers into a cuvette of 1 cm path length.

Observation of stimulated Raman scattering in polar tetragonal crystals of barium antimony tartrate trihydrate, Ba[Sb{sub 2}((+)C{sub 4}H{sub 2}O{sub 6}){sub 2}].3H{sub 2}O

Energy Technology Data Exchange (ETDEWEB)

Kaminskii, Alexander A. [Institute of Crystallography, Russian Academy of Sciences, Moscow (Russian Federation); Rhee, Hanjo; Eichler, Hans J.; Lux, Oliver [Institute of Optics and Atomic Physics, Technical University of Berlin (Germany); Nemec, Ivan [Department of Inorganic Chemistry, Faculty of Science, Charles University, Prague (Czech Republic); Yoneda, Hitoki; Shirakawa, Akira [Institute for Laser Science, University of Electro-Communications, Tokyo (Japan); Becker, Petra; Bohaty, Ladislav [Section Crystallography, Institute of Geology and Mineralogy, University of Cologne (Germany)

2017-04-15

The non-centrosymmetric polar tetragonal (P4{sub 1}) barium antimony tartrate trihydrate, Ba[Sb{sub 2}((+)C{sub 4}H{sub 2}O{sub 6}){sub 2}].3H{sub 2}O, was found to be an attractive novel semi-organic crystal manifesting numerous χ{sup (2)}- and χ{sup (3)}-nonlinear optical interactions. In particular, with picosecond single- and dual-wavelength pumping SHG and THG via cascaded parametric four-wave processes were observed. High-order Stokes and anti-Stokes lasing related to two SRS-promoting vibration modes of the crystal, with ω{sub SRS1} ∼ 575 cm{sup -1} and ω{sub SRS2} ∼ 2940 cm{sup -1}, takes place. Basing on a spontaneous Raman investigation an assignment of the two SRS-active vibration modes is discussed. (copyright 2017 by WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

The picosecond laser for tattoo removal.

Science.gov (United States)

Hsu, Vincent M; Aldahan, Adam S; Mlacker, Stephanie; Shah, Vidhi V; Nouri, Keyvan

2016-11-01

The prevalence of tattoos continues to grow as modern society's stigma towards this form of body art shifts towards greater acceptance. Approximately one third of Americans aged 18-25 and 40 % of Americans aged 26-40 are tattooed. As tattoos continue to rise in popularity, so has the demand for an effective method of tattoo removal such as lasers. The various colors of tattoo inks render them ideal targets for specific lasers using the principle of selective photothermolysis. Traditional laser modalities employed for tattoo removal operate on pulse durations in the nanosecond domain. However, this pulse duration range is still too long to effectively break ink into small enough particles. Picosecond (10 -12 ) lasers have emerged at the forefront of laser tattoo removal due to their shorter pulse lengths, leading to quicker heating of the target chromophores, and consequently, more effective tattoo clearance. Recent studies have cited more effective treatment outcomes using picosecond lasers. Future comparative studies between picosecond lasers of various settings are necessary to determine optimal laser parameters for tattoo clearance.

Solvothermal synthesis, crystal structure, and second-order nonlinear optical properties of a new noncentrosymmetric gallium-organic framework material, [N(C{sub 3}H{sub 7}){sub 4}]{sub 3}Ga{sub 3}[C{sub 6}H{sub 3}(CO{sub 2}){sub 3}]{sub 4}

Energy Technology Data Exchange (ETDEWEB)

Lee, Dong Woo; Jo, Vinna [Department of Chemistry, Chung-Ang University, Seoul, 156-756 (Korea, Republic of); Ok, Kang Min, E-mail: kmok@cau.ac.kr [Department of Chemistry, Chung-Ang University, Seoul, 156-756 (Korea, Republic of)

2012-10-15

A novel noncentrosymmetric (NCS) gallium-organic framework material, [N(C{sub 3}H{sub 7}){sub 4}]{sub 3}Ga{sub 3}[C{sub 6}H{sub 3}(CO{sub 2}){sub 3}]{sub 4} (CAUMOF-11) has been synthesized by a solvothermal reaction using Ga(NO{sub 3}){sub 3}{center_dot}xH{sub 2}O, 1,3,5-C{sub 6}H{sub 3}(CO{sub 2}H){sub 3}, N(C{sub 3}H{sub 7}){sub 4}Cl, HNO{sub 3}, and HCON(CH{sub 3}){sub 2} at 180 Degree-Sign C. The structure of the reported material has been determined by single-crystal X-ray diffraction. CAUMOF-11 has an anionic three-dimensional framework with aligned four-coordinate GaO{sub 4} tetrahedra and 1,3,5-benzenetricarboxylate groups. Tetrapropylammonim cations reside within the channel and maintain the charge balance. Detailed structural analyses with full characterization including infrared spectroscopy, thermogravimetric analysis, elemental analysis, ion-exchange reactions, topotactic decomposition, and gas adsorption experiments are reported. Powder second-harmonic generating (SHG) measurements on CAUMOF-11, using 1064 nm radiation, exhibit SHG efficiency of 15 times that of {alpha}-SiO{sub 2} and the material is phase-matchable (type-1). - Graphical Abstract: Second-order nonlinear optical measurements on CAUMOF-11 reveal that the material is phase-matchable (type-1) with SHG efficiency of 15 times that of {alpha}-SiO{sub 2}. Highlights: Black-Right-Pointing-Pointer A new NCS Ga-organic framework was solvothermally synthesized. Black-Right-Pointing-Pointer CAUMOF-11 exhibits SHG efficiency of 15 times that of {alpha}-SiO{sub 2}. Black-Right-Pointing-Pointer Thermal decomposition of CAUMOF-11 crystal maintains the original morphology.

Unveiling the Structural Evolution of Ag<sub>1.2sub>Mn>8sub>O>16sub> under Coulombically Controlled (De)Lithiation

Energy Technology Data Exchange (ETDEWEB)

Huang, Jianping [Department; Hu, Xiaobing [Energy; Brady, Alexander B. [Department; Wu, Lijun [Energy; Zhu, Yimei [Energy; Takeuchi, Esther S. [Department; Energy; Department; Marschilok, Amy C. [Department; Department; Takeuchi, Kenneth J. [Department; Department

2018-01-02

MnO<sub>2sub> materials are considered promising cathode materials for rechargeable lithium, sodium, and magnesium batteries due to their earth abundance and environmental friendliness. One polymorph of MnO<sub>2sub>, α-MnO<sub>2sub>, has 2 × 2 tunnels (4.6 Å × 4.6 Å) in its structural framework, which provide facile diffusion pathways for guest ions. In this work, a silver-ion-containing α-MnO<sub>2sub> (Ag<sub>1.2sub>Mn>8sub>O>16sub>) is examined as a candidate cathode material for Li based batteries. Electrochemical stability of Ag<sub>1.2sub>Mn>8sub>O>16sub> is investigated through Coulombically controlled reduction under 2 or 4 molar electron equivalents (e.e.). Terminal discharge voltage remains almost constant under 2 e.e. of cycling, whereas it continuously decreases under repetitive reduction by 4 e.e. Thus, detailed structural analyses were utilized to investigate the structural evolution upon lithiation. Significant increases in lattice a (17.7%) and atomic distances (~4.8%) are observed when x in Li<sub>xAg>1.2sub>Mn>8sub>O>16sub> is >4. Ag metal forms at this level of lithiation concomitant with a large structural distortion to the Mn–O framework. In contrast, lattice a only expands by 2.2% and Mn–O/Mn-Mn distances show minor changes (~1.4%) at x < 2. The structural deformation (tunnel breakage) at x > 4 inhibits the recovery of the original structure, leading to poor cycle stability at high lithiation levels. This report establishes the correlation among local structure changes, amorphization processes, formation of Ag⁰, and long-term cycle stability for this silver-containing α-MnO<sub>2sub> type material at both low and high lithiation levels.

Anomalous intensities of Ne-like ion resonance line in plasma produced by picosecond laser pulse

International Nuclear Information System (INIS)

Bryunetkin, B.A.; Skobelev, I.Yu.; Faenov, A.Ya.; Kalashnikov, M.P.; Nikles, P.; Shnyupep, M.

1995-01-01

An anomalous structure of intensities of spectral lines of CuXX and GeXXX Ne-like ions emitted by plasma produced by laser pulses of picosecond duration and up to 2x10 18 W/cm 2 flux density is recorded for the first time. It is shown that spectrum maximum of these ions is emitted from a plasma region whose density is significantly above the critical value of the length of heating laser radiation wave. 9 refs.; 3 figs

ZnFe{sub 2}O{sub 4} antiferromagnetic structure redetermination

Energy Technology Data Exchange (ETDEWEB)

Kremenović, Aleksandar, E-mail: akremenovic@rgf.bg.ac.rs [Laboratory for Crystallography, Faculty of Mining and Geology, University of Belgrade, Đušina 7, Belgrade 11000 (Serbia); Antić, Bratislav [Condensed Matter Physics Laboratory, Institute of Nuclear Sciences “Vinča”, University of Belgrade, P.O. Box 522, Belgrade 11001 (Serbia); Vulić, Predrag [Laboratory for Crystallography, Faculty of Mining and Geology, University of Belgrade, Đušina 7, Belgrade 11000 (Serbia); Blanuša, Jovan [Condensed Matter Physics Laboratory, Institute of Nuclear Sciences “Vinča”, University of Belgrade, P.O. Box 522, Belgrade 11001 (Serbia); Tomic, Aleksandra [Condensed Matter Physics Laboratory, Institute of Nuclear Sciences “Vinča”, University of Belgrade, P.O. Box 522, Belgrade 11001 (Serbia); Department of Applied Physics and Applied Mathematics, Columbia University, New York, NY, 10027 (United States)

2017-03-15

Magnetic structure of ZnFe{sub 2}O{sub 4} normal spinel is re-examined. Antiferromagnetic structure non-collinear model is established within C{sub a}2 space group having four different crystallographic/magnetic sites for 32 Fe{sup 3+} spins within magnetic unit cell. - Highlights: • Magnetic structure of ZnFe{sub 2}O{sub 4} normal spinel is re-examined. • Antiferromagnetic non-collinear structure model is established within C{sub a}2 space group. • Four different crystallographic/magnetic sites contain 32 Fe{sup 3+} spins within magnetic unit cell.

The Gd{sub 14}Ag{sub 51} structure type and its relation to some complex amalgam structures

Energy Technology Data Exchange (ETDEWEB)

Tambornino, Frank; Sappl, Jonathan; Hoch, Constantin, E-mail: constantin.hoch@cup.uni-muenchen.de

2015-01-05

Highlights: • The Gd{sub 14}Ag{sub 51} structure type has been revisited on the basis of single crystal diffraction data. • Symmetry analysis from electron density and TEM shows the space group P6/m to be true. • Gd{sub 14}Ag{sub 51} shows good metallic behaviour. • Structure relations to alkali, alkaline-earth and rare-earth metal amalgams can be established. • Complexity values for the RE{sub 14}Ag{sub 51} structure family were calculated. - Abstract: A plethora of binary and ternary intermetallic compounds has been assigned to the Gd{sub 14}Ag{sub 51} structure type, crystallising in the hexagonal system (space group P6/m, a = 1264.30(18) pm, c = 933.58(11) pm for Gd{sub 14}Ag{sub 51}). Starting in the late 1960s, much work has been invested in the structural elucidation of these crystal structures. However, reliable single crystal data are scarce, and most structure type assignments have been performed merely on the basis of powder data. We have redetermined four representatives of the binary RE{sub 14}Ag{sub 51} structure type (RE = Y, Ce, Gd, Tb) with modern high-precision single crystal X-ray methods. The assignment of the Gd{sub 14}Ag{sub 51} structure type to space group P6/m was additionally verified by careful analysis of high resolution transmission electron micrographs. We emphasise the close relation of the Gd{sub 14}Ag{sub 51} structure type to the structures of some recently described amalgams of similar composition focussing on disorder phenomena and structural complexity. Furthermore, we provide detailed information on synthesis as well as electrical and magnetic properties for Gd{sub 14}Ag{sub 51}, the parent compound of this structure family.

Picosecond excitation energy transfer of allophycocyanin studied in solution and in crystals.

Science.gov (United States)

Ranjbar Choubeh, Reza; Sonani, Ravi R; Madamwar, Datta; Struik, Paul C; Bader, Arjen N; Robert, Bruno; van Amerongen, Herbert

2018-03-01

Cyanobacteria perform photosynthesis with the use of large light-harvesting antennae called phycobilisomes (PBSs). These hemispherical PBSs contain hundreds of open-chain tetrapyrrole chromophores bound to different peptides, providing an arrangement in which excitation energy is funnelled towards the PBS core from where it can be transferred to photosystem I and/or photosystem II. In the PBS core, many allophycocyanin (APC) trimers are present, red-light-absorbing phycobiliproteins that covalently bind phycocyanobilin (PCB) chromophores. APC trimers were amongst the first light-harvesting complexes to be crystallized. APC trimers have two spectrally different PCBs per monomer, a high- and a low-energy pigment. The crystal structure of the APC trimer reveals the close distance (~21 Å) between those two chromophores (the distance within one monomer is ~51 Å) and this explains the ultrafast (~1 ps) excitation energy transfer (EET) between them. Both chromophores adopt a somewhat different structure, which is held responsible for their spectral difference. Here we used spectrally resolved picosecond fluorescence to study EET in these APC trimers both in crystallized and in solubilized form. We found that not all closely spaced pigment couples consist of a low- and a high-energy pigment. In ~10% of the cases, a couple consists of two high-energy pigments. EET to a low-energy pigment, which can spectrally be resolved, occurs on a time scale of tens of picoseconds. This transfer turns out to be three times faster in the crystal than in the solution. The spectral characteristics and the time scale of this transfer component are similar to what have been observed in the whole cells of Synechocystis sp. PCC 6803, for which it was ascribed to EET from C-phycocyanin to APC. The present results thus demonstrate that part of this transfer should probably also be ascribed to EET within APC trimers.

Bismuth zinc vanadate, BiZn{sub 2}VO{sub 6}: New crystal structure type and electronic structure

Energy Technology Data Exchange (ETDEWEB)

Eliziario Nunes, Sayonara [Department of Chemistry, Durham University, South Road, Durham DH1 3LE (United Kingdom); Department of Materials Engineering, Federal University of São Carlos, 13565-905 São Carlos, SP (Brazil); Wang, Chun-Hai; So, Karwei; Evans, John S.O. [Department of Chemistry, Durham University, South Road, Durham DH1 3LE (United Kingdom); Evans, Ivana Radosavljević, E-mail: ivana.radosavljevic@durham.ac.uk [Department of Chemistry, Durham University, South Road, Durham DH1 3LE (United Kingdom)

2015-02-15

We report a combined experimental and computational study of the crystal structure and electronic properties of bismuth zinc vanadate, BiZn{sub 2}VO{sub 6}, known for its visible light photocatalytic activity. The crystal structure has been solved from laboratory powder X-ray diffraction data using the repeated minimisations from random starting values method. BiZn{sub 2}VO{sub 6} adopts a new structure type, based on the following building blocks: corner- and edge-sharing ZnO{sub 4} tetrahedra, ZnO{sub 6} octahedra and VO{sub 4} tetrahedra, and Bi{sub 2}O{sub 12} dimers. It is the only known member of the BiM{sub 2}AO{sub 6} (M=Pb, Ca, Cd, Mn, Zn, Mg, Cu; A=V, P, As) family which does not appear to be structurally closely related to others. The electronic structure of BiZn{sub 2}VO{sub 6}, calculated by DFT methods, shows that it is an indirect gap semiconductor with a calculated band gap of 1.6 eV, which compares favourably to the experimentally measured value of 2.4 eV. - Graphical abstract: The crystal structure of BiZn{sub 2}VO{sub 6}, a new structure type in the BiM{sub 2}AO{sub 6} (M=Mg, Ca, Cd, Cu, Pb, Mn, Zn; A=V, P, As) family. - Highlights: • Structure solution from PXRD data by repeated minimisations from random starting values. • New structure type in the BiM{sub 2}AO{sub 6} (M=Pb, Ca, Cd, Mn, Zn, Mg, Cu; A=V, P, As) family. • Electronic structure calculation.

Structural and compositional optimization of the LiNi{sub 0.8}Co{sub 0.2}O{sub 2} electrode by new synthesis conditions

Energy Technology Data Exchange (ETDEWEB)

Mosqueda L, Y.; Milian P, C. R.; Pomares A, M.; Rodriguez H, J.; Perez C, E., E-mail: yodalgis@imre.oc.uh.cu [Havana University, Institute of Materials Science and Technology, Zapata y G, Plaza de la Revolucion, Vedado, 10400 Havana (Cuba)

2012-07-01

The optimization of citrate precursor method to obtain the LiNi{sub 0.8}Co{sub 0.2}O{sub 2} oxide from the thermal decomposition of the citrate precursor (NH{sub 4}){sub 3}LiNi{sub 0.8}Co{sub 0.2}(C{sub 6}H{sub 5}O{sub 7}) is presented. The optimization procedure consists of both the lithium atmosphere and the reaction time control during the decomposition of the citrate precursor. Were obtained and characterized two kind of the (Li{sub l-x}Ni{sub x})(Ni{sub 0.8}Co{sub 0.2})O{sub 2} oxides, with and without optimized synthesis conditions, identified as A and B oxides, respectively. The A and B oxides are characterized by compositional, structural and electrochemical studies. The results showed that is possible to reach the ordered oxide phase at smaller reaction time if the lithium atmosphere is controlled. From the combination of the chemical analysis by Icp and the DRX Rietveld structural refinement it is possible to establish the Li, Ni(II), Ni(III) and Co(III) composition with great accuracy. The resulted structural and compositional transformations have a close relation with technological parameters of the rechargeable lithium battery using Li Ni{sub 0.8}Co{sub 0.2}O{sub 2} oxide as cathode. (Author)

A sub-structure method for multidimensional integral transport calculations

International Nuclear Information System (INIS)

Kavenoky, A.; Stankovski, Z.

1983-03-01

A new method has been developed for fine structure burn-up calculations of very heterogeneous large size media. It is a generalization of the well-known surface-source method, allowing coupling actual two-dimensional heterogeneous assemblies, called sub-structures. The method has been applied to a rectangular medium, divided into sub-structures, containing rectangular and/or cylindrical fuel, moderator and structure elements. The sub-structures are divided into homogeneous zones. A zone-wise flux expansion is used to formulate a direct collision probability problem within it (linear or flat flux expansion in the rectangular zones, flat flux in the others). The coupling of the sub-structures is performed by making extra assumptions on the currents entering and leaving the interfaces. The accuracies and computing times achieved are illustrated by numerical results on two benchmark problems

Theoretical study of structures of Ga{sub 5}N{sub 5} cluster

Energy Technology Data Exchange (ETDEWEB)

Song Bin; Cao Peilin

2002-12-23

The structures and energies of a Ga{sub 5}N{sub 5} cluster have been calculated using a full-potential linear-muffin-tin-orbital (FP-LMTO) method, combined with molecular dynamics technique. Twenty-four structures for a Ga{sub 5}N{sub 5} cluster have been obtained. The most stable structure is a C{sub 1} planar structure with a N{sub 3} subunit. The Ga{sub 5}N{sub 5} clusters show a preference for a N{sub 3} subunit, revealing the same behavior as in the Ga{sub 3}N{sub 3} and Ga{sub 4}N{sub 4} clusters. The existence of strong N-N bonds dominates the structure of a Ga{sub 5}N{sub 5} cluster. Through the calculation of the density of states we found that the most stable structure of Ga{sub 5}N{sub 5} clusters presented semiconductor-like properties.

The structure of Na sub 3 H sub 2 As sub 3 O sub 10. Structure d'un triarseniate: Na sub 3 H sub 2 As sub 3 O sub 10

Energy Technology Data Exchange (ETDEWEB)

Driss, A.; Jouini, T. (Tunis Univ. (Tunisia). Dept. de Chimie)

1990-07-15

Na{sub 3}H{sub 2}As{sub 3}O{sub 10}, M{sub r}=455.75, monoclinic, C2/c, a=10.860 (3), b=9.323 (3), c=18.270 (5) A, {beta}=103.00 (2)deg, V=1802 (1) A{sup 3}, Z=8, D{sub x}=3.27, D{sub m} (in bromobenzene) = 3.30 Mg m{sup -3}, {lambda}(Mo K anti {alpha})=0.7107 A, {mu}=11.5 mm{sup -1}, F(000)=1712, room temperature, final R=0.035 and wR=0.038 for 578 reflections. This structure contains a triarsenate anion H{sub 2}As{sub 3}O{sub 10}{sup 3-} formed from three AsO{sub 4} tetrahedra pointing in the same direction. They are connected by hydrogen bonds to form layers parallel to held (10anti 1) together by interleaved Na{sup +} cations. Only few triarsenate structures are known. The corresponding phosphate is unknown. An explanation is proposed. (orig.).

Laser ablation comparison by picosecond pulses train and nanosecond pulse

Science.gov (United States)

Lednev, V. N.; Filippov, M. N.; Bunkin, A. F.; Pershin, S. M.

2015-12-01

A comparison of laser ablation by a train of picosecond pulses and nanosecond pulses revealed a difference in laser craters, ablation thresholds, plasma sizes and spectral line intensities. Laser ablation with a train of picosecond pulses resulted in improved crater quality while ablated mass decreased up to 30%. A reduction in laser plasma dimensions for picosecond train ablation was observed while the intensity of atomic/ionic lines in the plasma spectra was greater by a factor of 2-4 indicating an improved excitation and atomization in the plasma.

Synthesis and structural characterization of Li{sub 3}K{sub 3}Eu{sub 7}(BO{sub 3}){sub 9}

Energy Technology Data Exchange (ETDEWEB)

Braeuchle, Sebastian; Huppertz, Hubert [Innsbruck Univ. (Austria). Inst. fuer Allgemeine, Anorganische und Theoretische Chemie; Seibald, Markus [OSRAM GmbH, Schwabmuenchen (Germany). Corporate Innovation

2017-07-01

Li{sub 3}K{sub 3}Eu{sub 7}(BO{sub 3}){sub 9} was prepared by high-temperature solid state synthesis at 900 C in a platinum crucible from lithium carbonate, potassium carbonate, boric acid, and europium(III) oxide. The title compound crystallizes in the orthorhombic space group Pca2{sub 1} (no. 29) (Z = 4). The structure was refined from single-crystal X-ray diffraction data: a = 21.126(2), b = 6.502(2), c = 17.619(2) Aa, V = 2420.1(2) Aa{sup 3}, R1 = 0.0183 and wR2 = 0.0412 for all data. The crystal structure of Li{sub 3}K{sub 3}Eu{sub 7}(BO{sub 3}){sub 9} is isotypic to Li{sub 3}K{sub 3}Y{sub 7}(BO{sub 3}){sub 9} featuring isolated BO{sub 3} units and LiO{sub 6} octahedra forming [Li{sub 3}B{sub 4}O{sub 21}] units in the ac plane, which are linked by additional BO{sub 3} units. The K{sup +} and Eu{sup 3+} cations are arranged in the cavities of the structure.

Picosecond transient absorption study of photodissociated carboxy hemoglobin and myoglobin

International Nuclear Information System (INIS)

Janes, S.M.; Dalickas, G.A.; Eaton, W.A.; Hochstrasser, R.M.

1988-01-01

The optical transient absorption spectra at 30 ps and 6.5 ns after photolysis are compared for both carboxy hemoglobin (HbCO) and carboxy myoglobin (MbCO). Both 355- and 532-nm excitation pulses were used. In all cases the shapes of the optical difference spectra thus generated are stationary over the complete time-scale studied. The photolysis spectra for MbCO are not significantly different from the equilibrium difference spectra generated on the same picosecond spectrometer when measured to an accuracy of +/- 0.5 nm. In addition, spectral parameters for delegated HbCO generated on the same spectrometer but detected by two different techniques, either by a Vidicon detector or point by point with photomultiplier tubes, are reported; the results are different from some of the previously reported picosecond experiments

Synthesis, crystal structure and characterizations of a new red phosphor K{sub 3}EuB{sub 6}O{sub 12}

Energy Technology Data Exchange (ETDEWEB)

Zhao, Dan, E-mail: iamzd1996@163.com [College of Chemistry and Chemical Engineering, Henan Polytechnic University, Jiaozuo, Henan, 454000 (China); State Key Laboratory of Structural Chemistry, Fuzhou, Fujian, 350002 (China); Ma, Fa-Xue; Wu, Zhi-Qiang; Zhang, Lei [College of Chemistry and Chemical Engineering, Henan Polytechnic University, Jiaozuo, Henan, 454000 (China); Wei, Wei, E-mail: wwei@cnu.edu.cn [Department of Chemistry, Capital Normal University, Beijing, 100048 (China); Yang, Juan; Zhang, Rong-Hua; Chen, Peng-Fei; Wu, Shan-Xuan [College of Chemistry and Chemical Engineering, Henan Polytechnic University, Jiaozuo, Henan, 454000 (China)

2016-10-01

A new potassium europium borate K{sub 3}EuB{sub 6}O{sub 12} has been prepared using a high temperature molten salt method and structurally characterized by single crystal X-ray diffraction (SC-XRD) analyses. Its structure features a three-dimensional (3D) framework composed of isolated [B{sub 5}O{sub 10}]{sup 5−} anions that are bridged by K{sup +} and Eu{sup 3+} ions. In this structure, one crystallographic distinct atom site is mixed occupied by K/Eu at a molar ratio of 1:1. The self-activated photoluminescence (PL) of K{sub 3}EuB{sub 6}O{sub 12} was studied. The excitation spectrum covers a wide range from 322 to 466 nm, which suggests that the K{sub 3}EuB{sub 6}O{sub 12} phosphors can be effectively excited by a near-UV light source. The emission spectrum consists of groups of lines in the red spectral region due to the {sup 5}D{sub 0}→{sup 7}F{sub j} (j = 1, 2, 3, 4) electronic transitions of Eu{sup 3+} ions, with the most intense line at 611 nm. We may expect that K{sub 3}EuB{sub 6}O{sub 12} has the potential to be a red phosphor pumped by near-UV LED chips. - Highlights: • A new red phosphor K{sub 3}EuB{sub 6}O{sub 12} was prepared. • The crystal structure of K{sub 3}EuB{sub 6}O{sub 12} was determined for the first time. • The photoluminescence properties of K{sub 3}EuB{sub 6}O{sub 12} are studied. • K{sub 3}EuB{sub 6}O{sub 12} show intense self-activated red emission under near-UV light excitation.

Structure of RbAlAs[sub 2]O[sub 7]. Structure de RbAlAs[sub 2]O[sub 7

Energy Technology Data Exchange (ETDEWEB)

Boughzala, H. (Dept. de Chimie, Faculte des Sciences, Tunis (Tunisia)); Driss, A. (Dept. de Chimie, Faculte des Sciences, Tunis (Tunisia)); Jouini, T. (Dept. de Chimie, Faculte des Sciences, Tunis (Tunisia))

1993-03-15

Rubidium aluminium pyroarsenate, M[sub r]=374.29, triclinic, P anti 1, a=8.233(5), b=6.34(2), c=6.241(5) A, [alpha]=102.6(1), [beta]=103.89(7), [gamma]=96.7(1) , V=303.9 A[sup 3], Z=2, D[sub m]=3.9(3) (pycnometry), D[sub x]=4.09 g cm[sup -3], [lambda](Ag K anti [alpha])=0.5608 A, [mu]=108.14 cm[sup -1], F(000)=344, T=296 K, R=0.049, wR=0.053 for 2193 reflections. The first structural investigation on a pyroarsenate is reported. It is built from AlAs[sub 2]O[sub 11] units comprising one AlO[sub 6] octahedron and one As[sub 2]O[sub 7] pyroarsenate group in which two AsO[sub 4] tetrahedra point in opposite directions. These units are connected by heteropolyhedral linkages to form a three-dimensional framework having intersecting tunnels where the Rb[sup +] ions are located. Although this structure is not isotypic with the phosphate analogues, it is closely related to that of the pyrophosphates of type I represented by KAlP[sub 2]O[sub 7]. (orig.).

High power industrial picosecond laser from IR to UV

Science.gov (United States)

Saby, Julien; Sangla, Damien; Pierrot, Simonette; Deslandes, Pierre; Salin, François

2013-02-01

Many industrial applications such as glass cutting, ceramic micro-machining or photovoltaic processes require high average and high peak power Picosecond pulses. The main limitation for the expansion of the picosecond market is the cost of high power picosecond laser sources, which is due to the complexity of the architecture used for picosecond pulse amplification, and the difficulty to keep an excellent beam quality at high average power. Amplification with fibers is a good technology to achieve high power in picosecond regime but, because of its tight confinement over long distances, light undergoes dramatic non linearities while propagating in fibers. One way to avoid strong non linearities is to increase fiber's mode area. Nineteen missing holes fibers offering core diameter larger than 80μm have been used over the past few years [1-3] but it has been shown that mode instabilities occur at approximately 100W average output power in these fibers [4]. Recently a new fiber design has been introduced, in which HOMs are delocalized from the core to the clad, preventing from HOMs amplification [5]. In these so-called Large Pitch Fibers, threshold for mode instabilities is increased to 294W offering robust single-mode operation below this power level [6]. We have demonstrated a high power-high efficiency industrial picosecond source using single-mode Large Pitch rod-type fibers doped with Ytterbium. Large Pitch Rod type fibers can offer a unique combination of single-mode output with a very large mode area from 40 μm up to 100μm and very high gain. This enables to directly amplify a low power-low energy Mode Locked Fiber laser with a simple amplification architecture, achieving very high power together with singlemode output independent of power level or repetition rate.

Structure and optical properties of [In{sub 1−2x}Sn{sub x}Zn{sub x}]GaO{sub 3}(ZnO){sub m}

Energy Technology Data Exchange (ETDEWEB)

Eichhorn, Simon; Mader, Werner, E-mail: mader@uni-bonn.de

2016-01-15

Compounds of [In{sub 1−2x}Sn{sub x}Zn{sub x}]GaO{sub 3}(ZnO){sub 1} (x≤0.22) and [In{sub 1−2x}Sn{sub x}Zn{sub x}]GaO{sub 3}(ZnO){sub 2} (x≤0.42) were prepared by solid state processing proving a substantial solid solution of Sn in the layered compounds InGaO{sub 3}(ZnO){sub m} (m=1, 2). Single crystal X-ray diffraction of the compounds reveals two In{sup 3+} ions to be substituted by one Sn{sup 4+} and one Zn{sup 2+} at the octahedral layer preserving the average charge of +3 at these sites. The substitution does not lead to an ordering of the ions but proves for the first time that the octahedral site can be occupied by different ions while all characteristics of the layered structures remain unchanged. Consequences of indium substitution are (i) decrease of the a axis compared to InGaO{sub 3}(ZnO){sub m} according to smaller ionic radii of Sn{sup 4+} and Zn{sup 2+} compared to In{sup 3+} and (ii) shift of the optical band gap to higher energies shown by UV–vis measurements. - Graphical abstract: Substitution limits of indium in InGaO{sub 3}(ZnO){sub m} (IGZO) by Sn and Zn are studied for m=1, 2 by single crystal X-ray diffraction and micro-chemical analysis. - Highlights: • New Oxides [In{sub 1−2x}Sn{sub x}Zn{sub x}]GaO{sub 3}(ZnO){sub m} (m=1, 2) with IGZO type structure. • Sn and Zn substitute for In at octahedral sites. • Crystal structures were characterized by single crystal X-ray diffraction. • Optical band gap energies were determined by UV–vis spectroscopy.

Laser diagnostics in combustion. Elastic scattering and picosecond laser-induced fluorescence

Energy Technology Data Exchange (ETDEWEB)

Ossler, Frederik

1999-05-01

Elastic scattering and the Lorenz-Mie (LM) theory in particular is used for the characterization of sub-micron- and micron-sized droplets of organic fuels in sprays and aerosols. Calculations on the Lorenz-Mie theory show that backward-sideward scattered visible radiation can be used for unambiguous detection of ensembles of homogeneous droplets of organic substances with diameters around 1 micrometer (size parameter between 2 and 6). A backward feature in the polarization ratio appears with a value considerably higher than one, on the opposite to the case of the rainbow observed for larger droplets. A comparison between measurements and LM calculations showed that a large amount of droplets in aerosols and well-atomized sprays were smaller than one micrometer in diameter. The LM theory was also used to characterize different size groups in a burning spray. A 3 - D technique based on a picosecond laser and a streak camera was demonstrated for measurements of fast and turbulent biphase flows. The entire 3 - D information was obtained within a time-span of less than 15 nanoseconds. A 2 - D technique for lifetime measurements based on a picosecond laser and a streak camera has been demonstrated on static objects. An analysis indicates that the technique may be applied to measurements of lifetimes around or below one picosecond employing femtosecond lasers and femtosecond streak-cameras. The technique may in principle be used to study dynamic systems when two detectors are used. Fluorescence lifetime measurements on hydrogen and oxygen atoms in flames at atmospheric pressure demonstrate the need of lasers with suiting spectral properties such as jitter and linewidth and the need of detectors with high sensitivity in the near IR in the case of oxygen atoms. The fluorescence lifetimes of gas phase acetone and 3-pentanone at 266 nm excitation wavelength have been measured for mixtures with nitrogen and air at temperatures between 323 and 723 K and pressures between 0

The structures of P{sub 8} and P{sub 9} clusters

Energy Technology Data Exchange (ETDEWEB)

Song Bin; Cao Peilin; Zhao Wei; Li Baoxing [Zhejiang Univ., Hangzhou, ZJ (China). Dept. of Physics

2001-08-01

Full-potential linear-muffin-tin-orbital molecular-dynamics (FP-LMTO MD) calculations have been performed to investigate the structures and energies of P{sub 8} and P{sub 9} clusters. We get fourteen stable structures for P{sub 8} and fifteen stable structures for P{sub 9}. The results confirm that ''cuneane'' structure is the most stable isomer of P{sub 8} clusters. However, the distortion of a D{sub 3h} prism, which has not been reported so far, is the most stable among the fifteen P{sub 9} isomers. (orig.)

Unusual antiferromagnetic structure of YbCo{sub 2}Si{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Mufti, N. [Max-Planck-Institut fuer Chemische Physik fester Stoffe, Dresden (Germany); Department of Physics, State University of Malang, Malang (Indonesia); Kaneko, K. [Max-Planck-Institut fuer Chemische Physik fester Stoffe, Dresden (Germany); Quantum Beam Science Center, Japan Atomic Energy Agency, Tokai (Japan); Hoser, A. [Helmholtz-Zentrum Berlin fuer Materialien und Energie, Berlin (Germany); Gutmann, M. [ISIS Neutron and Muon Source, Rutherford Appleton Laboratory, Didcot (United Kingdom); Geibel, C.; Stockert, O. [Max-Planck-Institut fuer Chemische Physik fester Stoffe, Dresden (Germany); Krellner, C. [Max-Planck-Institut fuer Chemische Physik fester Stoffe, Dresden (Germany); Physikalisches Institut, Goethe-Universitaet Frankfurt, Frankfurt (Germany)

2016-07-01

We report on extensive powder and single crystal neutron diffraction experiments to study the magnetic structure in YbCo{sub 2}Si{sub 2} below the Neel temperature T{sub N} = 1.7 K in detail. Representation analysis has been used to find the possible magnetic structure models compatible with the experiments. Two different magnetically ordered phases can clearly be distinguished. At lowest temperatures a commensurate magnetic structure with a propagation vector k{sub 1} = (0.25 0.25 1) and equal moments or about 1.4 μ{sub B}/Yb is found, while the intermediate phase (T > 0.9 K) is characterized by an incommensurate amplitude-modulated magnetic structure with k{sub 2} = (0.25 0.086 1). The magnetic structure in YbCo{sub 2}Si{sub 2} is in stark contrast to all other compounds of the RCo{sub 2}Si{sub 2} family (R = rare earth element) likely due to some itineracy of the Yb 4f states being responsible for the magnetism.

Direct observation of an isopolyhalomethane O-H insertion reaction with water: Picosecond time-resolved resonance Raman (ps-TR3) study of the isobromoform reaction with water to produce a CHBr2OH product

International Nuclear Information System (INIS)

Kwok, W.M.; Zhao Cunyuan; Li Yunliang; Guan Xiangguo; Phillips, David Lee

2004-01-01

Picosecond time-resolved resonance Raman (ps-TR 3 ) spectroscopy was used to obtain the first definitive spectroscopic observation of an isopolyhalomethane O-H insertion reaction with water. The ps-TR 3 spectra show that isobromoform is produced within several picoseconds after photolysis of CHBr 3 and then reacts on the hundreds of picosecond time scale with water to produce a CHBr 2 OH reaction product. Photolysis of low concentrations of bromoform in aqueous solution resulted in noticeable formation of HBr strong acid. Ab initio calculations show that isobromoform can react with water to produce a CHBr 2 (OH) O-H insertion reaction product and a HBr leaving group. This is consistent with both the ps-TR 3 experiments that observe the reaction of isobromoform with water to form a CHBr 2 (OH) product and photolysis experiments that show HBr acid formation. We briefly discuss the implications of these results for the phase dependent behavior of polyhalomethane photochemistry in the gas phase versus water solvated environments

Microstructure study of the rare-earth intermetallic compounds R<sub>5sub>(Si_xGe>1-xsub>)>4sub> and R<sub>5sub>(Si_xGe>1-xsub>)>3sub>

Energy Technology Data Exchange (ETDEWEB)

Cao, Qing [Iowa State Univ., Ames, IA (United States)

2012-01-01

The unique combination of magnetic properties and structural transitions exhibited by many members of the R<sub>5sub>(Si_xGe>1-xsub>)>4sub> family (R = rare earths, 0 ≤ x ≤ 1) presents numerous opportunities for these materials in advanced energy transformation applications. Past research has proven that the crystal structure and magnetic ordering of the R<sub>5sub>(Si_xGe>1-xsub>)>4sub> compounds can be altered by temperature, magnetic field, pressure and the Si/Ge ratio. Results of this thesis study on the crystal structure of the Er<sub>5sub>Si>4sub> compound have for the first time shown that the application of mechanical forces (i.e. shear stress introduced during the mechanical grinding) can also result in a structural transition from Gd<sub>5sub>Si>4sub>-type orthorhombic to Gd<sub>5sub>Si>2sub>Ge>2sub>-type monoclinic. This structural transition is reversible, moving in the opposite direction when the material is subjected to low-temperature annealing at 500 °C.

Synthesis, crystal structure and electronic structure of the binary phase Rh{sub 2}Cd{sub 5}

Energy Technology Data Exchange (ETDEWEB)

Koley, Biplab [Department of Chemistry, Indian Institute of Technology Kharagpur, Kharagpur 721302 (India); Chatterjee, S. [Department of Physics, Indian Institute of Technology Kharagpur, Kharagpur 721302 (India); Jana, Partha P., E-mail: ppj@chem.iitkgp.ernet.in [Department of Chemistry, Indian Institute of Technology Kharagpur, Kharagpur 721302 (India)

2017-02-15

A new phase in the Rh-Cd binary system - Rh{sub 2}Cd{sub 5} has been identified and characterized by single crystal X-ray diffraction and Energy dispersive X-ray analysis. The stoichiometric compound Rh{sub 2}Cd{sub 5} crystallizes with a unit cell containing 14 atoms, in the orthorhombic space group Pbam (55). The crystal structure of Rh{sub 2}Cd{sub 5} can be described as a defect form of the In{sub 3}Pd{sub 5} structure with ordered vacancies, formed of two 2D atomic layers with the stacking sequence: ABAB. The A type layers consist of (3.6.3.6)-Kagomé nets of Cd atoms while the B type layers consist of (3{sup 5}) (3{sup 7})- nets of both Cd and Rh atoms. The stability of this line phase is investigated by first principle electronic structure calculations on the model of ordered Rh{sub 2}Cd{sub 5}. - Graphical abstract: (3.6.3.6)-Kagomé nets of cadmium atoms (top) and (3{sup 5}) (3{sup 7})- nets of both cadmium and rhodium atoms (bottom) in the structure of Rh{sub 2}Cd{sub 5}.

Nonlinear optical characteristics of monolayer MoSe{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Le, Chinh Tam; Ullah, Farman; Senthilkumar, Velusamy; Kim, Yong Soo [Department of Physics and Energy Harvest Storage Research Center, University of Ulsan (Korea, Republic of); Clark, Daniel J.; Jang, Joon I. [Department of Physics, Applied Physics and Astronomy, Binghamton University, Binghamton, NY (United States); Sim, Yumin; Seong, Maeng-Je [Department of Physics, Chung-Ang University, Seoul (Korea, Republic of); Chung, Koo-Hyun [School of Mechanical Engineering, University of Ulsan (Korea, Republic of); Park, Hyoyeol [Electronics, Communication and Semiconductor Applications Department, Ulsan College (Korea, Republic of)

2016-08-15

In this study, we utilized picosecond pulses from an Nd:YAG laser to investigate the nonlinear optical characteristics of monolayer MoSe{sub 2}. Two-step growth involving the selenization of pulsed-laser-deposited MoO{sub 3} film was employed to yield the MoSe{sub 2} monolayer on a SiO{sub 2}/Si substrate. Raman scattering, photoluminescence (PL) spectroscopy, and atomic force microscopy verified the high optical quality of the monolayer. The second-order susceptibility χ{sup (2)} was calculated to be ∝50 pm V{sup -1} at the second harmonic wavelength λ{sub SHG} ∝810 nm, which is near the optical gap of the monolayer. Interestingly, our wavelength-dependent second harmonic scan can identify the bound excitonic states including negatively charged excitons much more efficiently, compared with the PL method at room temperature. Additionally, the MoSe{sub 2} monolayer exhibits a strong laser-induced damage threshold ∝16 GW cm{sup -2} under picosecond-pulse excitation{sub .} Our findings suggest that monolayer MoSe{sub 2} can be considered as a promising candidate for high-power, thin-film-based nonlinear optical devices and applications. (copyright 2016 by WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Pattern analysis of laser-tattoo interactions for picosecond- and nanosecond-domain 1,064-nm neodymium-doped yttrium-aluminum-garnet lasers in tissue-mimicking phantom.

Science.gov (United States)

Ahn, Keun Jae; Zheng, Zhenlong; Kwon, Tae Rin; Kim, Beom Joon; Lee, Hye Sun; Cho, Sung Bin

2017-05-08

During laser treatment for tattoo removal, pigment chromophores absorb laser energy, resulting in fragmentation of the ink particles via selective photothermolysis. The present study aimed to outline macroscopic laser-tattoo interactions in tissue-mimicking (TM) phantoms treated with picosecond- and nanosecond-domain lasers. Additionally, high-speed cinematographs were captured to visualize time-dependent tattoo-tissue interactions, from laser irradiation to the formation of photothermal and photoacoustic injury zones (PIZs). In all experimental settings using the nanosecond or picosecond laser, tattoo pigments fragmented into coarse particles after a single laser pulse, and further disintegrated into smaller particles that dispersed toward the boundaries of PIZs after repetitive delivery of laser energy. Particles fractured by picosecond treatment were more evenly dispersed throughout PIZs than those fractured by nanosecond treatment. Additionally, picosecond-then-picosecond laser treatment (5-pass-picosecond treatment + 5-pass-picosecond treatment) induced greater disintegration of tattoo particles within PIZs than picosecond-then-nanosecond laser treatment (5-pass-picosecond treatment + 5-pass-nanosecond treatment). High-speed cinematography recorded the formation of PIZs after repeated reflection and propagation of acoustic waves over hundreds of microseconds to a few milliseconds. The present data may be of use in predicting three-dimensional laser-tattoo interactions and associated reactions in surrounding tissue.

Structural relaxations in the bulk amorphous alloy Fe{sub 61}Co{sub 10}Ti{sub 3}Y{sub 6}B{sub 20}

Energy Technology Data Exchange (ETDEWEB)

Błoch, K., E-mail: 23kasia1@wp.pl; Nabiałek, M.; Gondro, J.

2017-05-01

The paper presents studies of annealing effect on the disaccommodation phenomenon in bulk amorphous alloy Fe{sub 61}Co{sub 10}Ti{sub 3}Y{sub 6}B{sub 20}. The investigated sample was prepared by suction-casting method in the form of rod. The annealing process has been performed at temperature well below the crystallisation temperature. The amorphous structure has been confirmed using X-ray diffractometer. The susceptibility and its disaccommodation were determined using completely automated set up. The disaccommodation curve was decomposed into three elementary processes, each of them was described by Gaussian distribution of relaxation times. The obtained results indicate that the disaccommodation phenomenon in studied alloy is related with directional ordering of atom pairs near the free volumes; this is in agreement with H. Kronmüller's theorem.

Structure and magnetic properties of Gd{sub x}Y{sub 1−x}FeO{sub 3} obtained by mechanosynthesis

Energy Technology Data Exchange (ETDEWEB)

Bolarín-Miró, A.M. [Área Académica de Ciencias de la Tierra y Materiales, Universidad Autónoma del Estado de Hidalgo Mineral de la Reforma, Hidalgo 42184 (Mexico); Sánchez-De Jesús, F., E-mail: fsanchez@uaeh.edu.mx [Área Académica de Ciencias de la Tierra y Materiales, Universidad Autónoma del Estado de Hidalgo Mineral de la Reforma, Hidalgo 42184 (Mexico); Cortés-Escobedo, C.A. [Centro de Investigación e Innovación Tecnológica del IPN, Distrito Federal 02250 (Mexico); Valenzuela, R. [Depto. de Materiales Metálicos y Cerámicos, Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México, México D.F. 04510 (Mexico); Ammar, S. [ITODYS, UMR 7086, Université de Paris-Diderot, 75250 Paris Cedex (France)

2014-02-15

Highlights: • Orthohombic GDxY1-xFeO3 was obtained by mechanosynthesis after 5 h of milling. • Mechanosynthesized GdxY1-xFeO3 show weak ferromagnetic behavior. • Mechanosynthesis promotes unexpected magnetic properties in GdxY1-xFeO3. • The maximum magnetization that was reached 7.7 emu/g for Gdo.75Y0.25FeO3. • For Gd0.5Y0.5FeO3, the magnetization decreases down to 2.1 emu/g. -- Abstract: Solid solutions of yttrium–gadolinium orthoferrites Gd{sub x}Y{sub 1−x}FeO{sub 3} (0 ⩽ x ⩽ 1) were prepared by high-energy ball milling. The aim of this work was to study the influence of the synthesis parameters on the crystal structure and the magnetic behavior of these solid solutions. The precursors, Fe{sub 2}O{sub 3}, Y{sub 2}O{sub 3} and Gd{sub 2}O{sub 3}, mixed in a stoichiometric ratio to obtain these orthoferrites, were milled for different times (up to 5 h). X-ray diffraction and Rietveld refinement were used to elucidate the phase transformation as a function of the milling time. Results showed the complete formation of orthoferrite with an orthorhombic structure (S.G. Pbnm) without any annealing after 5 h of milling for all of the compositions. The effect of the synthesis process and the x value on the crystal structure and the magnetic properties were also studied. All of the synthesized powders demonstrated weak ferromagnetic behavior. In particular, an increase in the maximum magnetization for all the compositions was found, with a maximum that reached 7.7 emu/g for Gd{sub 0.75}Y{sub 0.25}FeO{sub 3}. For Gd{sub 0.5}Y{sub 0.5}FeO{sub 3}, the magnetization decreases down to 2.1 emu/g. A small contamination of metallic Fe was confirmed through electron spin resonance experiments.

PLEIADES: A picosecond Compton scattering x-ray source for advanced backlighting and time-resolved material studies

International Nuclear Information System (INIS)

Gibson, David J.; Anderson, Scott G.; Barty, Christopher P.J.; Betts, Shawn M.; Booth, Rex; Brown, Winthrop J.; Crane, John K.; Cross, Robert R.; Fittinghoff, David N.; Hartemann, Fred V.; Kuba, Jaroslav; Le Sage, Gregory P.; Slaughter, Dennis R.; Tremaine, Aaron M.; Wootton, Alan J.; Hartouni, Edward P.; Springer, Paul T.; Rosenzweig, James B.

2004-01-01

The PLEIADES (Picosecond Laser-Electron Inter-Action for the Dynamical Evaluation of Structures) facility has produced first light at 70 keV. This milestone offers a new opportunity to develop laser-driven, compact, tunable x-ray sources for critical applications such as diagnostics for the National Ignition Facility and time-resolved material studies. The electron beam was focused to 50 μm rms, at 57 MeV, with 260 pC of charge, a relative energy spread of 0.2%, and a normalized emittance of 5 mm mrad horizontally and 13 mm mrad vertically. The scattered 820 nm laser pulse had an energy of 180 mJ and a duration of 54 fs. Initial x rays were captured with a cooled charge-coupled device using a cesium iodide scintillator; the peak photon energy was approximately 78 keV, with a total x-ray flux of 1.3x10 6 photons/shot, and the observed angular distribution found to agree very well with three-dimensional codes. Simple K-edge radiography of a tantalum foil showed good agreement with the theoretical divergence-angle dependence of the x-ray energy. Optimization of the x-ray dose is currently under way, with the goal of reaching 10 8 photons/shot and a peak brightness approaching 10 20 photons/mm 2 /mrad 2 /s/0.1% bandwidth

Real-Time, Single-Shot Temporal Measurements of Short Electron Bunches, Terahertz CSR and FEL Radiation

CERN Document Server

Berden, G; Van der Meer, A F G

2005-01-01

Electro-optic detection of the Coulomb field of electron bunches is a promising technique for single-shot measurements of the bunch length and shape in the sub-picosecond time domain. This technique has been applied to the measurement of 50 MeV electron bunches in the FELIX free electron laser, showing the longitudinal profile of single bunches of around 650 fs FWHM [Phys. Rev. Lett. 93, 114802 (2004)]. The method is non-destructive and real-time, and therefore ideal for online monitoring of the longitudinal shape of single electron bunches. At FELIX we have used it for real-time optimization of sub-picosecond electron bunches. Electro-optic detection has also been used to measure the electric field profiles of far-infrared (or terahertz) optical pulses generated by the relativistic electrons. We have characterised the far-infrared output of the free electron laser, and more recently, we have measured the temporal profile of terahertz optical pulses generated at one of the bending magnets.

High pressure structural investigation on alluaudites Na{sub 2}Fe{sub 3}(PO{sub 4}){sub 3}-Na{sub 2}FeMn{sub 2}(PO{sub 4}){sub 3} system

Energy Technology Data Exchange (ETDEWEB)

Gao, Jing [Key Laboratory of Orogenic Belts and Crustal Evolution, MOE, School of Earth and Space Sciences, Peking University, Beijing 100871 (China); Huang, Weifeng [College of Engineering, Peking University, Beijing 100871 (China); Qin, Shan [Key Laboratory of Orogenic Belts and Crustal Evolution, MOE, School of Earth and Space Sciences, Peking University, Beijing 100871 (China); Wu, Xiang, E-mail: wuxiang@cug.edu.cn [State key laboratory of geological processes and mineral resources, China University of Geosciences, Wuhan 430074 (China)

2017-03-15

Alluaudites are promising electrochemical materials benefited from the open structure. Structural variations of alluaudites Na{sub 2}M{sub 3}(PO{sub 4}){sub 3} (M{sub 3}=Fe{sub 3}, Fe{sub 2}Mn and FeMn{sub 2}) system have been studied by synchrotron radiation X-ray diffraction combined with diamond anvil cell technique up to ~10 GPa at room temperature. No phase transition is observed. The excellent structural stability is mainly due to the flexible framework plus strong covalent P-O bond. Mn{sup 2+} instead of Fe can be described as Na{sup +}+2Fe{sup 2+}→Mn{sup 2+}+Fe{sup 3+}+□ where □ represents a lattice vacancy. The replacement of Fe with larger Mn{sup 2+} is equivalent to applying negative chemical pressure to the material. And it causes a more compressible b-axis, lattice expansion, structural compressibility and intensifies the core/electron-electron interactions of Fe. External pressure effect produces anisotropic lattice shrinkage. Structural considerations related to these variations and promising application prospects are discussed. - Graphical abstract: Figure 1 The crystal structure of alluaudites Na{sub 2}M{sub 3}(PO{sub 4}){sub 3} (M{sub 3}=Fe{sub 3}, Fe{sub 2}Mn and FeMn{sub 2}) projected along the c-axis. Alluaudites adopt a flexible framework plus strong covalent P-O bond, which contribute to excellent structural stability up to ~10 GPa. Mn{sup 2+} instead of Fe can be described as Na{sup ++}2Fe{sup 2+}→Mn{sup 2+}+Fe{sup 3+}+□ where □ represents a lattice vacancy, and it is equivalent to applying negative chemical pressure to the host. The substitution causes a more compressible b-axis, lattice expansion, structural compressibility and intensifies the core/electron-electron interactions of Fe.

The first picosecond terawatt CO2 laser at the Brookhaven Accelerator Test Facility

International Nuclear Information System (INIS)

Pogorelsky, I.V.; Ben-Zvi, I.; Babzien, M.

1998-02-01

The first terawatt picosecond CO 2 laser will be brought to operation at the Brookhaven Accelerator Test Facility in 1998. System consists of a single-mode TEA oscillator, picosecond semiconductor optical switch, multi-atmosphere. The authors report on design, simulation, and performance tests of the 10 atm final amplifier that allows for direct multi-joule energy extraction in a picosecond laser pulse

Structure of Na/sub 2/As/sub 4/O/sub 11/

Energy Technology Data Exchange (ETDEWEB)

Driss, A.; Jouini, T.; Omezzine, M.

1988-05-15

Disodium tetraarsenate, M/sub r/=521.66, monoclinic, C2/c, a=9.049(3), b=8.287(3), c=11.508(5) A, ..beta..=102.74(4)/sup 0/, V=842(2) A/sup 3/, Z=4, D/sub m/=4.06 (by flotation), D/sub x/=4.11 Mg m/sup -3/, lambda(AgK anti ..cap alpha..)=0.5608 A, ..mu..=8.6 mm/sup -1/, F(000)=968, room temperature, final R=0.046 and ..omega..R=0.048 for 1153 independent reflections. The main feature of this structure is the existence of the first three-dimensional anion (As/sub 4/O/sub 11/)/sub n//sup 2n-/ in the chemistry of the condensed arsenates. It has the lowest O/As ratio (2.75) of the known arsenates showing marked condensation: all the O atoms are shared except one per AsO/sub 4/ tetrahedron. The structural unit is the As/sub 4/O/sub 15/ ring with point symmetry 2, built up from alternate AsO/sub 4/ tetrahedra and AsO/sub 6/ octahedra sharing corners. In addition, the two octahedra share one O atom located on the 2 axis. The As/sub 4/O/sub 15/ ring derives from the known centrosymmetric As/sub 4/O/sub 14/ ring by the cleavage of one As-O-As linkage between the two octahedra of the ring to form two new As-O-As linkages with AsO/sub 4/ tetrahedra connecting two rings, leading to a decrease of the O/As ratio. The As/sub 4/O/sub 15/ rings are further linked by sharing edges of AsO/sub 6/ octahedra to form a three-dimensional framework. This completes the set of the already known arrangements of the As/sub 4/O/sub 14/ ring (isolated units, infinite chains, layers).

Structure of Ti{sub 3}SiC{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Rawn, C.J.; Payzant, E.A.; Hubbard, C.R. [Oak Ridge National Lab., TN (United States); Barsoum, M.W.; El-Raghy, T. [Drexel Univ., Philadelphia, PA (United States). Dept. of Materials Engineering

1998-11-01

Earlier high temperature structure analysis by neutron powder diffraction suggested that Si vacancies were created when Ti{sub 3}SiC{sub 2} was heated. A specimen that was heated to 906 C overnight was later examined at room temperature. For this subsequent room temperature data set refinement of the Si site occupancies in the Ti{sub 3}SiC{sub 2} structure did not support the hypothesis that Si vacancies were being created when the sample was held at elevated temperatures in a vacuum furnace.

Structural, morphological and luminescence properties of nanocrystalline up-converting Y{sub 1.89}Yb{sub 0.1}Er{sub 0.01}O{sub 3} phosphor particles synthesized through aerosol route

Energy Technology Data Exchange (ETDEWEB)

Lojpur, V.; Mancic, L. [Institute of Technical Sciences of the Serbian Academy of Sciences and Arts, K. Mihailova 35/IV, 11000 Belgrade (Serbia); Rabanal, M.E. [University Carlos III of Madrid, Avd. Universidad 30, 28911 Leganes, Madrid (Spain); Dramicanin, M.D. [Vinca Institute of Nuclear Science, University of Belgrade, P.O. Box 522, Belgrade (Serbia); Tan, Z.; Hashishin, T.; Ohara, S. [JWRI, Osaka University, 11-1 Mihogaoka, Ibaraki, Osaka 567-0047 (Japan); Milosevic, O., E-mail: olivera.milosevic@itn.sanu.ac.rs [Institute of Technical Sciences of the Serbian Academy of Sciences and Arts, K. Mihailova 35/IV, 11000 Belgrade (Serbia)

2013-12-15

Highlights: •The Y{sub 1.89}Yb{sub 0.1}Er{sub 0.01}O{sub 3} phosphor particles are synthesized via aerosol route. •We report influence of process parameters on the particle structure and morphology. •Spherical, submicronic size and nano-crystalline particle morphology are confirmed. •The particles show improved luminescence properties and decay time. •Synthesized powders exhibit the temperature dependant up-conversion emission. -- Abstract: Nanocrystalline up-converting Y{sub 2}O{sub 3}:Yb{sup 3+}, Er{sup 3+} phosphor particles were processed in a dispersed system-aerosol, generated ultrasonically at 1.3 MHz from common nitrate precursor solution having fixed ytterbium-to-erbium concentration ratio. The appropriate process parameters: residence time 21 s, carrier gas (air) flow rate 1.6 dm{sup 3}/min, synthesis temperature 900 °C, led to the formation of un-agglomerated spherical nanostructured secondary particles, having mean particle size of approx 450 nm, composed of primary nanoscaled (20 nm) subunits. In order to reach targeting phase crystallinity, the as-prepared particles were additionally annealed at 1100 °C in air for 12, 24 and 48 h, respectively. Particle structure, morphology and purity were analyzed by X-ray powder diffraction (XRPD), scanning electron microscopy (FESEM/SEM), analytical and high resolution transmission electron microscopy (TEM/HRTEM) in combination with energy dispersive X-ray analysis and Fourier Transform Infrared Spectroscopy (FTIR). All samples crystallized in a cubic bixbyte-structure, space group Ia-3. The crystallite size changed with annealing time from 30 nm in as-prepared sample to 135 nm in sample annealed for 48 h, respectively. Emission spectra were assigned to the following trivalent erbium f–f electronic transitions: {sup 2}H{sub 9/2} → {sup 4}I{sub 15/2} (blue: 407–420 nm), ({sup 2}H{sub 11/2}, {sup 4}S{sub 3/2}) → {sup 4}I{sub 15/2} (green: 510–590 nm), and {sup 4}F{sub 9/2} → {sup 4}I{sub 15

High Efficiency Solar-based Catalytic Structure for CO<sub>2sub> Reforming

Energy Technology Data Exchange (ETDEWEB)

Menkara, Hisham [PhosphorTech Corporation, Kennesaw, GA (United States)

2013-09-30

Throughout this project, we developed and optimized various photocatalyst structures for CO<sub>2sub> reforming into hydrocarbon fuels and various commodity chemical products. We also built several closed-loop and continuous fixed-bed photocatalytic reactor system prototypes for a larger-scale demonstration of CO<sub>2sub> reforming into hydrocarbons, mainly methane and formic acid. The results achieved have indicated that with each type of reactor and structure, high reforming yields can be obtained by refining the structural and operational conditions of the reactor, as well as by using various sacrificial agents (hole scavengers). We have also demonstrated, for the first time, that an aqueous solution containing acid whey (a common bio waste) is a highly effective hole scavenger for a solar-based photocatalytic reactor system and can help reform CO<sub>2sub> into several products at once. The optimization tasks performed throughout the project have resulted in efficiency increase in our conventional reactors from an initial 0.02% to about 0.25%, which is 10X higher than our original project goal. When acid whey was used as a sacrificial agent, the achieved energy efficiency for formic acid alone was ~0.4%, which is 16X that of our original project goal and higher than anything ever reported for a solar-based photocatalytic reactor. Therefore, by carefully selecting sacrificial agents, it should be possible to reach energy efficiency in the range of the photosynthetic efficiency of typical crop and biofuel plants (1-3%).

Magnetic structure of Co(Cr{sub 0.925}Fe{sub 0.075}){sub 2}O{sub 4}

Energy Technology Data Exchange (ETDEWEB)

Kumar, Ram; Padam, R.; Pal, D., E-mail: dpal@iitg.ernet.in [Department of Physics, Indian Institute of Technology Guwahati, Guwahati-781039 (India); Rayaprol, Sudhindra; Siruguri, Vasudeva [UGC-DAE CSR, Mumbai Centre, R-5 Shed, BARC Campus, Mumbai 400085 (India); Ramakrishnan, S. [Department of Condensed Matter Physics and Materials Science, Tata Institute of Fundamental Research, Mumbai-400005 (India)

2016-05-23

We report results of neutron diffraction (ND) measurements on Co(Cr{sub 0.925}Fe{sub 0.075}){sub 2}O{sub 4} compound and determination of its magnetic structure. ND data at 90 K shows ferrimagnetic structure which is consistent with the bulk magnetization transition temperature, T{sub C} (~ 120 K). Appearance of additional peaks at 20 K coincides with the view that a magnetostructural transition occurs at T{sub S} (~ 26 K) in bulk magnetization of the sample.

Magnetic structures of Er{sub 6}Mn{sub 23} and Dy{sub 6}Mn{sub 23}

Energy Technology Data Exchange (ETDEWEB)

Ouladdiaf, B. [Institut Max von Laue - Paul Langevin, 38 - Grenoble (France); Deportes, J. [Laboratoire de Magnetisme L. Neel, C.N.R.S., BP 166, 38042 Grenoble Cedex 9 (France); Rodriguez-Carvajal, J. [Institut Max von Laue - Paul Langevin, 38 - Grenoble (France)]|[Laboratoire Leon Brillouin (CEA-CNRS), Centre d`Etudes de Saclay, Gif sur Yvette (France)

1995-08-01

The R{sub 6}Mn{sub 23} (R=rare earth) compounds crystallize in the cubic Th{sub 6}Mn{sub 23}-type structure with space group Fm3m. Powder neutron-diffraction experiments were performed on Dy{sub 6}Mn{sub 23} and Er{sub 6}Mn{sub 23}. The magnetic unit cell coincides with the chemical one. The R moments have a ferromagnetic non-collinear arrangement, whereas the Mn moments are parallel to the [1 1 1] direction. The magnetic structures belong to the three-dimensional {Gamma}{sub 5g} irreducible representation of Fm3m associated with the wave vector K=[0 0 0]. The spin configurations in both compounds result from the competition between the R-R, R-Mn magnetic interactions and the crystal electric field on the R ions. (orig.).

Quench-free concentration measurements in high-temperature systems by picosecond LIF

International Nuclear Information System (INIS)

Buelter, A.; Rahmann, U.; Brockhinke, A.

2001-01-01

In the present work, a picosecond laser is used in conjunction with an intensified streak camera to study energy transfer processes in OH and to obtain quench-free results from the time-resolved spectra. Quantitative concentration profiles for OH and H are presented in a counterflow burner interacting with a vortex

Crystal structure and magnetic properties of Y{sub 2}(Cu{sub 1−x}Mg{sub x}){sub 2}O{sub 5} obtained by SHS method

Energy Technology Data Exchange (ETDEWEB)

Gebrel, Z., E-mail: z_gebrel@yahoo.com; Blanusa, J.; Kusigerski, V.; Spasojevic, V.; Mrakovic, A.; Perovic, M.; Alqat, A.

2014-01-05

Highlights: • Y{sub 2}(Cu{sub 1−x}Mg{sub x}){sub 2}O{sub 5} solid solutions were synthesized for the first time by SHS method. • Ferromagnetic interactions are weakened by the induced structure changes. • Metamagnetism of the Y{sub 2}Cu{sub 2}O{sub 5} is preserved up to 15% of Mg concentration. • Significant influence of finite-size Cu–O chains is observed at low temperatures. -- Abstract: The single-phase polycrystalline samples of Y{sub 2}(Cu{sub 1−x}Mg{sub x}){sub 2}O{sub 5}, x = 0.0, 0.05, 0.15 were successfully synthesized by a modified self-propagating high temperature synthesis. Effects of Mg{sup +2} substitution for Cu{sup +2} in metamagnetic Y{sub 2}Cu{sub 2}O{sub 5} on its crystal structure and magnetic properties have been analyzed by X-ray diffraction and magnetic measurements performed within 2–300 K range. Mg doping was found to introduce small distortions in the main intradimmer superexchange paths so that ferromagnetic correlations decrease with Mg concentration. More significant impact of Cu substitution was found on the low temperature magnetism due to the breaking of infinite Cu–O chains. The formation of finite size chains introduces low temperature paramagnetic contribution and reduction in Néel temperature. Overall results give a strong indication that the antiferromagnetic ordering as well as metamagnetism persists up to the 15% of the Mg concentration.

Picosecond resolution programmable delay line

International Nuclear Information System (INIS)

Suchenek, Mariusz

2009-01-01

The note presents implementation of a programmable delay line for digital signals. The tested circuit has a subnanosecond delay range programmable with a resolution of picoseconds. Implementation of the circuit was based on low-cost components, easily available on the market. (technical design note)

Broadly tunable picosecond ir source

International Nuclear Information System (INIS)

Campillo, A.J.; Hyer, R.C.; Shapiro, S.L.

1979-01-01

A completely grating tuned (1.9 to 2.4 μm) picosecond traveling wave IR generator capable of controlled spectral bandwidth operation down to the Fourier Transform limit is reported. Subsequent down conversion in CdSe extends tuning to 10 to 20 μm

The first 3D malonate bridged copper [Cu(O{sub 2}C-CH{sub 2}-CO{sub 2}H){sub 2}{center_dot}2H{sub 2}O]: Structure, properties and electronic structure

Energy Technology Data Exchange (ETDEWEB)

Seguatni, A., E-mail: seguatni@gmail.com [LBPC-INSERM U 698, Institut Galilee, Universite Paris XIII, 99, avenue J. B. Clement 93430, Villetaneuse (France); Fakhfakh, M. [Unite de recherche UR 12-30, Synthese et Structure de Materiaux Inorganiques, Faculte des Sciences de Bizerte, 7021 Zarzouna (Tunisia); Departement de Chimie, Universite du Quebec a Montreal, C.P. 8888, Succ. Centre-ville, Montreal, Que., H3C 3P8 (Canada); Smiri, L.S. [Unite de recherche UR 12-30, Synthese et Structure de Materiaux Inorganiques, Faculte des Sciences de Bizerte, 7021 Zarzouna (Tunisia); Gressier, P.; Boucher, F. [Institut des Materiaux Jean Rouxel, Universite de Nantes, CNRS, 2 rue de la Houssiniere, BP 32229, 44322 Nantes Cedex 3 (France); Jouini, N. [Departement de Chimie, Universite du Quebec a Montreal, C.P. 8888, Succ. Centre-ville, Montreal, Que., H3C 3P8 (Canada)

2012-03-15

A new inorganic-organic compound [Cu(O{sub 2}C-CH{sub 2}-CO{sub 2}H){sub 2}{center_dot}2H{sub 2}O] ([Cumal]) was hydrothermally synthesized and characterized by IR spectroscopy, thermal analysis and single crystal X-ray diffraction. [Cumal] is the first three-dimensional compound existing in the system Cu(II)-malonic acid-H{sub 2}O. Its framework is built up through carboxyl bridged copper where CuO{sub 6} octahedra are elongated with an almost D{sub 4h} symmetry (4+2) due to the Jahn-Teller effect. The magnetic properties were studied by measuring its magnetic susceptibility in the temperature range of 2-300 K indicating the existence of weak ferromagnetic interactions. The electronic structure of [Cumal] was calculated within the density functional theory (DFT) framework. Structural features are well reproduced using DFT structural optimizations and the optical spectra, calculated within the dielectric formalism, explain very well the light blue colour of the compound. It is shown that a GGA+U approach with a U{sub eff} value of about 6 eV is necessary for a better correlation with the experiment. - Graphical abstract: [Cu(O{sub 2}C-CH{sub 2}-CO{sub 2}H){sub 2}{center_dot}2H{sub 2}O]: the first 3D hybrid organic-inorganic compound built up carboxyl groups. The network presents a diamond-like structure achieved via carboxyl. Highlights: Black-Right-Pointing-Pointer A new organic-inorganic material with an unprecedented topology is synthesized. Black-Right-Pointing-Pointer Crystallographic structure is determined using single crystal X-ray diffraction. Black-Right-Pointing-Pointer Electronic structure is obtained from DFT, GGA+U calculation. Black-Right-Pointing-Pointer Framework can be described as formed from CuC{sub 4} tetrahedron sharing four corners. Black-Right-Pointing-Pointer This structure can be classified as an extended diamond structure.

Loading clusters composed of nanoparticles on ZrO{sub 2} support via a perovskite-type oxide of La{sub 0.95}Ce{sub 0.05}Co{sub 0.7}Cu{sub 0.3}O{sub 3} for ethanol synthesis from syngas and its structure variation with reaction time

Energy Technology Data Exchange (ETDEWEB)

Song, Zhaoyu [Tianjin Key Laboratory of Applied Catalysis Science and Technology, School of Chemical Engineering, Tianjin University, Tianjin 300354 (China); Collaborative Innovation Center of Chemical Science and Engineering (Tianjin), Tianjin 300354 (China); Shi, Xiangpeng [Collaborative Innovation Center of Chemical Science and Engineering (Tianjin), Tianjin 300354 (China); Key Laboratory of Green Chemical Technology of Ministry of Education, School of Chemical Engineering, Tianjin University, Tianjin 300354 (China); Ning, Hongyan; Liu, Guilong; Zhong, Huixian [Tianjin Key Laboratory of Applied Catalysis Science and Technology, School of Chemical Engineering, Tianjin University, Tianjin 300354 (China); Collaborative Innovation Center of Chemical Science and Engineering (Tianjin), Tianjin 300354 (China); Liu, Yuan, E-mail: yuanliu@tju.edu.cn [Tianjin Key Laboratory of Applied Catalysis Science and Technology, School of Chemical Engineering, Tianjin University, Tianjin 300354 (China); Collaborative Innovation Center of Chemical Science and Engineering (Tianjin), Tianjin 300354 (China)

2017-05-31

Highlights: • La{sub 0.95}Ce{sub 0.05}Co{sub 0.7}Cu{sub 0.3}O{sub 3}/ZrO{sub 2} catalyst has showed good activity and high selectivity to ethanol. • After reaction for 1000 h, the catalyst was covered by a membrane-like coating. • Carbon deposition is the main reason for the deactivation of the catalyst. - Abstract: A new scheme was proposed to intensify interactions between copper with cobalt and between Cu−Co with the promoters, namely, the ions of copper, cobalt, lanthanum and cerium were confined into La{sub 0.95}Ce{sub 0.05}Co{sub 0.7}Cu{sub 0.3}O{sub 3} with perovskite structure and were supported on zirconia. The catalyst was prepared by impregnation method and used for ethanol synthesis (ES) from syngas and was characterized by using XRD, TG, BET, XPS, ICP-MS and TEM techniques. La{sub 0.95}Ce{sub 0.05}Co{sub 0.7}Cu{sub 0.3}O{sub 3}/ZrO{sub 2} showed very good catalytic performance with selectivity to total alcohols higher than 60% and selectivity to ethanol about 50% in the total alcohols. After reduction, clusters composed of Cu−Co alloy nanoparticles, ceria and lanthanum oxide was formed and loaded on zirconia. Investigation on the variation of the catalyst structure with reaction time showed that with the reaction going on, the clusters spread over the surface of ZrO{sub 2} and at last, all the clusters fused together to form a membrane loaded on the ZrO{sub 2} and the whole catalyst was covered by a membrane-like coating formed by Co{sub 2}C. The characterization results showed that the carbon deposition was the main reason for the deactivation of La{sub 0.95}Ce{sub 0.05}Co{sub 0.7}Cu{sub 0.3}O{sub 3}/ZrO{sub 2} catalyst. This catalyst design scheme could be extended for preparing a lot of catalyst for many reactions.

Structure and physical properties of RT{sub 2}Cd{sub 20} (R=rare earth, T=Ni, Pd) compounds with the CeCr{sub 2}Al{sub 20}-type structure

Energy Technology Data Exchange (ETDEWEB)

Burnett, V.W.; Yazici, D.; White, B.D. [Department of Physics and Center for Advanced Nanoscience, University of California, San Diego, La Jolla, CA 92093 (United States); Dilley, N.R. [Quantum Design, 6325 Lusk Boulevard, San Diego, CA 92121 (United States); Friedman, A.J.; Brandom, B. [Department of Physics and Center for Advanced Nanoscience, University of California, San Diego, La Jolla, CA 92093 (United States); Maple, M.B., E-mail: mbmaple@physics.ucsd.edu [Department of Physics and Center for Advanced Nanoscience, University of California, San Diego, La Jolla, CA 92093 (United States)

2014-07-01

Eleven new compounds, R Ni{sub 2}Cd{sub 20} (R=Y, La–Nd, Sm, Gd, Tb) and R Pd{sub 2}Cd{sub 20} (R=Ce, Pr, Sm), were grown as single crystals in high temperature cadmium-rich solutions. They crystallize in the cubic CeCr{sub 2}Al{sub 20}-type structure (Fd3{sup ¯}m, Z=8) as characterized by measurements of powder X-ray diffraction. Electrical resistivity, magnetization, and specific heat measurements were performed on R Ni{sub 2}Cd{sub 20} (R=Y, La–Nd, Sm, Gd, Tb) single crystals. Whereas YNi{sub 2}Cd{sub 20} and LaNi{sub 2}Cd{sub 20} exhibit unremarkable metallic behavior, when magnetic moments from localized 4f electron states (Gd{sup 3+}–Tb{sup 3+}) are embedded into this host, they exhibit ferromagnetic order with values of the Curie temperature T{sub C} for R Ni{sub 2}Cd{sub 20} (R=Gd, and Tb) which scale with the de Gennes factor. - Graphical abstract: Specific heat divided by temperature C/T vs. T for single crystals of R Ni{sub 2}Cd{sub 20} (R=Y, La–Nd, Gd, and Tb). Left inset: Low temperature C/T vs. T{sup 2} for LaNi{sub 2}Cd{sub 20}. The solid line represents a linear fit of the data. Right inset: Low-temperature C/T data vs. T for R=Ce–Nd, Gd, and Tb; magnetic ordering temperatures are indicated by arrows. - Highlights: • R Ni{sub 2}Cd{sub 20} (R=Y, La–Nd, Sm, Gd, Tb) single crystals synthesized for the first time. • R Pd{sub 2}Cd{sub 20} (R=Ce, Pr, Sm) single crystals synthesized for the first time. • Single crystals are of good metallurgical quality (large RRR values). • NdNi{sub 2}Cd{sub 20} orders antiferromagnetically at T{sub N}=1.5 K. • R Ni{sub 2}Cd{sub 20} (R=Sm, Gd, Tb) order ferromagnetically.

Electronic structures of ReS sub 2 , ReSe sub 2 and TcS sub 2 in the real and the hypothetical undistorted structures

CERN Document Server

Fang, C M; Haas, C; Groot, R A D

1997-01-01

The transition-metal dichalcogenides ReX sub 2 (X = S or Se) and TcS sub 2 with a d sup 3 electron configuration have distorted CdCl sub 2 and Cd(OH) sub 2 structures, respectively, with the Re(Tc) atoms in each layer forming parallelogram-shaped connected clusters (diamond chain). Ab-initio band-structure calculations were performed for ReX sub 2 and TcS sub 2 , and the hypothetical undistorted 1T-TcS sub 2 and 3R-ReX sub 2 structures. The calculations show that ReS sub 2 , ReSe sub 2 and TcS sub 2 are semiconductors with energy gaps of about 1.0 eV, 0.5 eV and 0.7 eV, respectively, while for the undistorted structures the Fermi level is in the partly filled band of d sub x sub sup 2 sub - sub y sub sup 2 and d sub x sub y orbitals of the t sub 2 sub g manifold. X-ray photoemission spectra for the core levels and valence band of ReSe sub 2 and ReS sub 2 are presented. The valence x-ray photoemission spectra showed that ReS sub 2 is a p-type semiconductor with an energy gap of about 1.5 eV, while ReSe sub 2 i...

Effect of structural packing on the luminescence properties in tungsten bronze compounds M{sub 2}KNb{sub 5}O{sub 15} (M=Ca, Sr, Ba)

Energy Technology Data Exchange (ETDEWEB)

Yin Xin; Shi Liu [State Key Laboratory of High Performance Ceramics and Superfine Microstructures and CAS Key Laboratory of Materials for Energy Conversion, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050 (China); Wei Ang, E-mail: iamawei@njupt.edu.cn [Key Laboratory for Organic Electronics and Information Displays, 9 Wenyuan Road, Nanjing 210046 (China); Wan Dongyun; Wang Yaoming [State Key Laboratory of High Performance Ceramics and Superfine Microstructures and CAS Key Laboratory of Materials for Energy Conversion, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050 (China); Huang Fuqiang, E-mail: huangfq@mail.sic.ac.cn [State Key Laboratory of High Performance Ceramics and Superfine Microstructures and CAS Key Laboratory of Materials for Energy Conversion, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050 (China); College of Chemistry and Molecular Engineering, Peking University, Beijing 100871 (China)

2012-08-15

Tungsten bronze compounds M{sub 2}KNb{sub 5}O{sub 15} (M=Ca, Sr, Ba) were successfully synthesized, and the luminescence properties were investigated. Among the three compounds, Ca{sub 2}KNb{sub 5}O{sub 15} showed an obviously broad band of host luminescence at 460 nm with exciting at 269 nm. By doping Eu{sup 3+} into the M sites, Ca{sub 2}KNb{sub 5}O{sub 15}:Eu{sup 3+} displayed strong red emission from Eu{sup 3+} ions characteristic transitions, nearly four times higher than Sr{sub 2}KNb{sub 5}O{sub 15}:Eu{sup 3+} and seven times higher than Ba{sub 2}KNb{sub 5}O{sub 15}:Eu{sup 3+}. Crystal packing factor (PF) was introduced to account for this luminescence difference, lower PF being correlated to higher luminescence intensity for perovskite-related structure. Both the as-prepared compounds and the literature examples were proved to fit this correlation. This can be explained through the influence of the structural packing on the environment distortion and crystal field splitting of the doping site. - Graphical abstract: Tungsten bronze compounds M{sub 2}KNb{sub 5}O{sub 15} (M=Ca, Sr, Ba) show the dependence of luminescence properties on structural packing, among which Ca{sub 2}KNb{sub 5}O{sub 15} has the superior luminescence. Highlights: Black-Right-Pointing-Pointer Tungsten bronze compounds were synthesized by solid state reaction. Black-Right-Pointing-Pointer Ca{sub 2}KNb{sub 5}O{sub 15} displayed remarkably blue host luminescence. Black-Right-Pointing-Pointer Ca{sub 2}KNb{sub 5}O{sub 15}:Eu{sup 3+} showed more intense red emission than M{sub 2}KNb{sub 5}O{sub 15}:Eu{sup 3+} (M=Sr, Ba). Black-Right-Pointing-Pointer The relationship between crystal packing factor and luminescence was obtained.

Structural and magnetic properties and superconductivity in Ba(Fe<sub>1-xsub>TM_x)>2sub>As>2sub>

Energy Technology Data Exchange (ETDEWEB)

Thaler, Alexander [Iowa State Univ., Ames, IA (United States)

2012-01-01

We studied the effects on structural and magnetic phase transitions and the emergence of superconductivity in transition metal substituted BaFe<sub>2sub>As>2sub>. We grew four series of Ba(Fe<sub>1-xsub>TM>2sub>)>2sub>As>2sub> (TM=Ru, Mn, Co+Cr and Co+Mn) and characterized them by crystallographic, magnetic and transport measurements. We also subjected Ba(Fe<sub>1-xsub>Cr_x)>2sub>As>2sub> and Ba(Fe<sub>1-xsub>Co_x)>2sub>As>2sub> to heat treatment to explore what changes might be induced.

New theoretical approaches to atomic and molecular dynamics triggered by ultrashort light pulses on the atto- to picosecond time scale

International Nuclear Information System (INIS)

Pabst, Stefan Ulf

2013-04-01

The concept of atoms as the building blocks of matter has existed for over 3000 years. A revolution in the understanding and the description of atoms and molecules has occurred in the last century with the birth of quantum mechanics. After the electronic structure was understood, interest in studying the dynamics of electrons, atoms, and molecules increased. However, time-resolved investigations of these ultrafast processes were not possible until recently. The typical time scale of atomic and molecular processes is in the picosecond to attosecond realm. Tremendous technological progress in recent years makes it possible to generate light pulses on these time scales. With such ultrashort pulses, atomic and molecular dynamics can be triggered, watched, and controlled. Simultaneously, the need rises for theoretical models describing the underlying mechanisms. This doctoral thesis focuses on the development of theoretical models which can be used to study the dynamical behavior of electrons, atoms, and molecules in the presence of ultrashort light pulses. Several examples are discussed illustrating how light pulses can trigger and control electronic, atomic, and molecular motions. In the first part of this work, I focus on the rotational motion of asymmetric molecules, which happens on picosecond and femtosecond time scales. Here, the aim is to align all three axes of the molecule as well as possible. To investigate theoretically alignment dynamics, I developed a program that can describe alignment motion ranging from the impulsive to the adiabatic regime. The asymmetric molecule SO 2 is taken as an example to discuss strategies of optimizing 3D alignment without the presence of an external field (i.e., field-free alignment). Field-free alignment is particularly advantageous because subsequent experiments on the aligned molecule are not perturbed by the aligning light pulse. Wellaligned molecules in the gas phase are suitable for diffraction experiments. From the

Structures for capturing CO.sub.2, methods of making the structures, and methods of capturing CO.sub.2

Science.gov (United States)

Jones, Christopher W; Hicks, Jason C; Fauth, Daniel J; McMahan, Gray

2012-10-30

Briefly described, embodiments of this disclosure, among others, include carbon dioxide (CO.sub.2) sorption structures, methods of making CO.sub.2 sorption structures, and methods of using CO.sub.2 sorption structures.

Pleiades: A Sub-picosecond Tunable X-ray Source at the LLNL Electron Linac

International Nuclear Information System (INIS)

Slaughter, Dennis; Springer, Paul; Le Sage, Greg; Crane, John; Ditmire, Todd; Cowan, Tom; Anderson, Scott G.; Rosenzweig, James B.

2002-01-01

The use of ultra fast laser pulses to generate very high brightness, ultra short (fs to ps) pulses of x-rays is a topic of great interest to the x-ray user community. In principle, femto-second-scale pump-probe experiments can be used to temporally resolve structural dynamics of materials on the time scale of atomic motion. The development of sub-ps x-ray pulses will make possible a wide range of materials and plasma physics studies with unprecedented time resolution. A current project at LLNL will provide such a novel x-ray source based on Thomson scattering of high power, short laser pulses with a high peak brightness, relativistic electron bunch. The system is based on a 5 mm-mrad normalized emittance photo-injector, a 100 MeV electron RF linac, and a 300 mJ, 35 fs solid-state laser system. The Thomson x-ray source produces ultra fast pulses with x-ray energies capable of probing into high-Z metals, and a high flux per pulse enabling single shot experiments. The system will also operate at a high repetition rate (∼ 10 Hz). (authors)

Synthesis, structural, electronic and linear electro-optical features of new quaternary Ag{sub 2}Ga{sub 2}SiS{sub 6} compound

Energy Technology Data Exchange (ETDEWEB)

Piasecki, M., E-mail: m.piasecki@ajd.czest.pl [Institute of Physics, Jan Dlugosz University, Armii Krajowej 13/15, PL-42-201 Czestochowa (Poland); Myronchuk, G.L. [Department of Solid State Physics, Lesya Ukrainka Eastern European National University, 13 Voli Ave., Lutsk 43025 (Ukraine); Parasyuk, O.V. [Department of Inorganic and Physical Chemistry, Lesya Ukrainka Eastern European National University, 13 Voli Ave., Lutsk 43025 (Ukraine); Khyzhun, O.Y. [Frantsevych Institute for Problems of Materials Science, National Academy of Sciences of Ukraine, 3 Krzhyzhanivsky St., Kyiv 03142 (Ukraine); Fedorchuk, A.O. [Department of Inorganic and Organic Chemistry, Lviv National University of Veterinary Medicine and Biotechnologies, 50 Pekarska Street, Lviv 79010 (Ukraine); Pavlyuk, V.V. [Department of Inorganic Chemistry, Ivan Franko National University of Lviv, 6 Kyryla and Mefodiya St., 79005 Lviv (Ukraine); Institute of Chemistry, Environment Protection and Biotechnology, Jan Dlugosz University, al. Armii Krajowej 13/15, 42-200 Czestochowa (Poland); Kozer, V.R.; Sachanyuk, V.P. [Department of Inorganic and Physical Chemistry, Lesya Ukrainka Eastern European National University, 13 Voli Ave., Lutsk 43025 (Ukraine); El-Naggar, A.M. [Physics Department, Faculty of Science, Ain Shams University, Abassia, Cairo 11566 (Egypt); Research Chair of Exploitation of Renewable Energy Applications in Saudi Arabia, Physics & Astronomy Department, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451 (Saudi Arabia); Albassam, A.A. [Research Chair of Exploitation of Renewable Energy Applications in Saudi Arabia, Physics & Astronomy Department, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451 (Saudi Arabia); Jedryka, J.; Kityk, I.V. [Faculty of Electrical Engineering, Czestochowa University Technology, Armii Krajowej 17, Czestochowa (Poland)

2017-02-15

For the first time phase equilibria and phase diagram of the AgGaS{sub 2}–SiS{sub 2} system were successfully explored by differential thermal and X-ray phase analysis methods. Crystal structure of low-temperature (LT) modification of Ag{sub 2}Ga{sub 2}SiS{sub 6} (LРў- Ag{sub 2}Ga{sub 2}SiS{sub 6}) was studied by X-ray powder method and it belongs to tetragonal space group I-42d, with unit cell parameters a=5.7164(4) Å, c=9.8023(7) Å, V=320.32(7) Å{sup 3}. Additional details regarding the crystal structure exploration are available at the web page Fachinformationszentrum Karlsruhe. X-ray photoelectron core-level and valence-band spectra were measured for pristine LРў- Ag{sub 2}Ga{sub 2}SiS{sub 6} crystal surface. In addition, the X-ray photoelectron valence-band spectrum of LРў-Ag{sub 2}Ga{sub 2}SiS{sub 6} was matched on a common energy scale with the X-ray emission S Kβ{sub 1,3} and Ga Kβ{sub 2} bands, which give information on the energy distribution of the S 3p and Ga 4p states, respectively. The presented X-ray spectroscopy results indicate that the valence S p and Ga p atomic states contribute mainly to the upper and central parts of the valence band of LРў-Ag{sub 2}Ga{sub 2}SiS{sub 6}, respectively, with a less significant contribution also to other valence-band regions. Band gap energy was estimated by measuring the quantum energy in the spectral range of the fundamental absorption. We have found that energy gap Eg is equal to 2.35 eV at 300 K. LT-Ag{sub 2}Ga{sub 2}SiS{sub 6} is a photosensitive material and reveals two spectral maxima on the curve of spectral photoconductivity spectra at λ{sub max1} =590 nm and λ{sub max2} =860 nm. Additionally, linear electro-optical effect of LT-Ag{sub 2}Ga{sub 2}SiS{sub 6} for the wavelengths of a cw He-Ne laser at 1150 nm was explored. - Graphical abstract: Manuscript present the technology of growth and investigation of properties a new quaternary compound Ag{sub 2}Ga{sub 2}SiS{sub 6

Ab-initio electronic structure calculations and properties of [Si{sub x}Sn{sub 1−x}]{sub 3}N{sub 4} ternary nitrides

Energy Technology Data Exchange (ETDEWEB)

Pavloudis, Th. [Department of Physics, Aristotle University of Thessaloniki, GR-54124 Thessaloniki (Greece); Zervos, M. [Nanostructured Materials and Devices Laboratory, Department of Mechanical and Manufacturing Engineering, PO Box 20537, Nicosia 1678 (Cyprus); Komninou, Ph. [Department of Physics, Aristotle University of Thessaloniki, GR-54124 Thessaloniki (Greece); Kioseoglou, J., E-mail: sifisl@auth.gr [Department of Physics, Aristotle University of Thessaloniki, GR-54124 Thessaloniki (Greece)

2016-08-31

We carry out ab initio electronic structure calculations of (Si{sub x}Sn{sub 1−x}){sub 3}N{sub 4} using density functional theory with projector augmented-wave potentials under the generalized gradient approximation. We find that the energetically favorable structure of Sn{sub 3}N{sub 4} is the face-centered cubic spinel structure, followed by the hexagonal structure which has energy band gaps of 1.85 eV and 1.44 eV respectively. The (Si{sub x}Sn{sub 1−x}){sub 3}N{sub 4} ternary compound can exhibit both cubic and hexagonal crystal structures over the full range of x. However, the cubic structure is found to be energetically favorable for x < 0.3 above which the hexagonal structure of (Si{sub x}Sn{sub 1−x}){sub 3}N{sub 4} dominates. The energy band gap can be tuned continuously from 1.44 eV up to 5.8 eV in the case of the hexagonal crystal structure of (Si{sub x}Sn{sub 1−x}){sub 3}N{sub 4} and from 1.85 eV to 4.82 eV in the case of cubic (Si{sub x}Sn{sub 1−x}){sub 3}N{sub 4}. Nevertheless the energy gap of (Si{sub x}Sn{sub 1−x}){sub 3}N{sub 4} is direct only for x < 0.3 when it is cubic and for x < 0.5 when hexagonal. - Highlights: • (Si{sub x}Sn{sub 1−x}){sub 3}N{sub 4} exhibits both cubic and hexagonal crystal structures. • The cubic structure is favorable for x < 0.3 and the hexagonal structure for x > 0.3. • The bandgap of hexagonal (Si{sub x}Sn{sub 1−x}){sub 3}N{sub 4} may be tuned from 1.44 eV up to 5.8 eV. • The bandgap may be tuned from 1.85 eV to 4.82 eV for the cubic (Si{sub x}Sn{sub 1−x}){sub 3}N{sub 4}. • Bandgaps are direct for x < 0.3 (cubic) and for x < 0.5 3 (hexagonal (Si{sub x}Sn{sub 1−x}){sub 3}N{sub 4}).

Electronic Structure of TIBa(sub 2)CaCu(sub 2)O(sub 7-delta)

Science.gov (United States)

Vasquez, R. P.; Novikov, D. L.; Freeman, A. J.; Siegal, M. P.

1996-01-01

The core levels of TIBa(sub 2)CaCu(sub 2)O(sub 7-delta) epitaxial films have been measured with x-ray photoelectron spectroscopy (XPS). The valence electronic structure has been determined using the full-potential linear muffin tin orbital band structure method and measured with XPS.

Picosecond pulse radiolysis study of primary reactions in solutions

International Nuclear Information System (INIS)

El-Omar, Abdel Karim

2013-01-01

Following the discovery of ionizing radiations and their chemical effects, it was important to study and comprehend the formation mechanisms of short lived free radicals and molecular products. In order to perform such studies, researchers and research groups worked on developing tools allowing both formation and detection of those species at short time scales. Nowadays, pulse radiolysis imposed itself as a fundamental and efficient tool allowing scientists to probe chemical effects as well as reaction mechanisms in studied media. The Laboratoire de Chimie Physique d'Orsay 'LCP' is an interdisciplinary laboratory hosting the platform of fast kinetics known as 'ELYSE'. Due to its femtosecond laser and its picosecond electron accelerator, we have the possibility to study chemical effects of ionizing radiations interaction with media at ultrashort times up to ∼5 ps.Knowing that we are interested in primary reactions induced in aqueous media by ionizing radiations, ELYSE represents the essential tool in performing our studies. The obtained results concern:- First direct determination of hydroxyl radical 'HO*' radiolytic yield as function of time at picosecond time scale;- Direct effect of ionizing radiation in highly concentrated aqueous solutions as well as investigation of the ultrafast electron transfer reaction between solute molecules and positive holes 'H 2 O*+' formed upon water radiolysis;- Study at room temperature of electron transfer reaction between solvated electron (electron donor) and organic solutes (electron acceptors) en viscous medium;- Study at room temperature of electron's solvation dynamics in ethylene glycol and 2-propanol. (author)

Electronic structure determination of R{sub 3}T{sub 4}Sn{sub 13}

Energy Technology Data Exchange (ETDEWEB)

Chen, Xiaoye; Tan, HongEn; Klintberg, Lina E.; Tompsett, David A.; Grosche, F. Malte; Sutherland, Michael [University of Cambridge, Cavendish Laboratory, Cambridge (United Kingdom); Goh, Swee K. [University of Cambridge, Cavendish Laboratory, Cambridge (United Kingdom); The Chinese University of Hong Kong, Department of Physics, Hong Kong (China); Friedemann, Sven [University of Cambridge, Cavendish Laboratory, Cambridge (United Kingdom); University of Bristol, HH Wills Physics Laboratory, Bristol (United Kingdom); Yang, Jinhu; Chen, Bin [Hangzhou Normal University, Department of Physics, Hangzhou (China); Kyoto University, Department of Chemistry, Kyoto (Japan); Yoshimura, Kazuyoshi [Kyoto University, Department of Chemistry, Kyoto (Japan); Yu, Wing Chi [The Chinese University of Hong Kong, Department of Physics, Hong Kong (China)

2016-07-01

The quasi-skutterudite superconducting material family R{sub 3}T{sub 4}Sn{sub 13} (R = Ca, Sr, T = Ir, Rh) was recently shown to have a composition and pressure induced structural quantum phase transition. The end member material Sr{sub 3}Ir{sub 4}Sn{sub 13} at ambient pressure and above T* = 147 K adopts a simple cubic structure (I phase, Pm-3n). Below this temperature, the compound enters the I* phase, thought to result from a superlattice distortion of the I phase with twice the original lattice constant. We compare our quantum oscillation data for Sr{sub 3}Ir{sub 4}Sn{sub 13}, measured at a wide range of angles, with DFT calculations for the I and I* phases, as well as other proposed possibilities such as merohedral twining domains. We complement this comparison with thermal conductivity measurements of other materials in the family to provide important insights into the nature of the superlattice distortion.

Crystal structure of vanuralite, Al[(UO{sub 2}){sub 2}(VO{sub 4}){sub 2}](OH) . 8.5H{sub 2}O

Energy Technology Data Exchange (ETDEWEB)

Plasil, Jakub [Czech Academy of Sciences, Praha (Czech Republic). Inst. of Physics

2017-07-01

Vanuralite, Al[(UO{sub 2}){sub 2}(VO{sub 4}){sub 2}](OH) . 8.5H{sub 2}O, is a rare supergene uranyl vanadate that forms during hydration-oxidation weathering of uraninite in oxide zones of U deposits. On the basis of single-crystal X-ray diffraction data it is monoclinic, space group P2{sub 1}/n, with a = 10.4637(10), b = 8.4700(5), c = 20.527(2) Aa, β = 102.821(9) , V=1773.9(3) Aa{sup 3} and Z = 4, D{sub calc.} = 3.561 g cm{sup -3}. The structure of vanuralite (R = 0.058 for 2638 unique observed reflections) contains uranyl vanadate sheets of francevillite topology of the composition [(UO{sub 2}){sub 2}(VO{sub 4}){sub 2}]{sup 2-}. Sheets are stacked perpendicular to c, and an interstitial complex {sup [6]}Al(OH)(H{sub 2}O){sub 4}(H{sub 2}O){sub 4.5}; adjacent structural sheets are linked through an extensive network of hydrogen bonds. Vanuralite is the most complex mineral among uranyl vanadates, with 961 bits/cell. The scarcity of occurrences is probably caused by the less common combination of elements present in the structure, as well as the relatively high complexity of the structure (compared to related minerals), arising namely from the complicated network of H-bonds.

Development of sub-nanosecond, high gain structures for time-of-flight ring imaging in large area detectors

International Nuclear Information System (INIS)

Wetstein, Matthew

2011-01-01

Microchannel plate photomultiplier tubes (MCPs) are compact, imaging detectors, capable of micron-level spatial imaging and timing measurements with resolutions below 10 ps. Conventional fabrication methods are too expensive for making MCPs in the quantities and sizes necessary for typical HEP applications, such as time-of-flight ring-imaging Cherenkov detectors (TOF-RICH) or water Cherenkov-based neutrino experiments. The Large Area Picosecond Photodetector Collaboration (LAPPD) is developing new, commercializable methods to fabricate 20 cm 2 thin planar MCPs at costs comparable to those of traditional photo-multiplier tubes. Transmission-line readout with waveform sampling on both ends of each line allows the efficient coverage of large areas while maintaining excellent time and space resolution. Rather than fabricating channel plates from active, high secondary electron emission materials, we produce plates from passive substrates, and coat them using atomic layer deposition (ALD), a well established industrial batch process. In addition to possible reductions in cost and conditioning time, this allows greater control to optimize the composition of active materials for performance. We present details of the MCP fabrication method, preliminary results from testing and characterization facilities, and possible HEP applications.

Ultrafast supercontinuum fiber-laser based pump-probe scanning magneto-optical Kerr effect microscope for the investigation of electron spin dynamics in semiconductors at cryogenic temperatures with picosecond time and micrometer spatial resolution.

Science.gov (United States)

Henn, T; Kiessling, T; Ossau, W; Molenkamp, L W; Biermann, K; Santos, P V

2013-12-01

We describe a two-color pump-probe scanning magneto-optical Kerr effect microscope which we have developed to investigate electron spin phenomena in semiconductors at cryogenic temperatures with picosecond time and micrometer spatial resolution. The key innovation of our microscope is the usage of an ultrafast "white light" supercontinuum fiber-laser source which provides access to the whole visible and near-infrared spectral range. Our Kerr microscope allows for the independent selection of the excitation and detection energy while avoiding the necessity to synchronize the pulse trains of two separate picosecond laser systems. The ability to independently tune the pump and probe wavelength enables the investigation of the influence of excitation energy on the optically induced electron spin dynamics in semiconductors. We demonstrate picosecond real-space imaging of the diffusive expansion of optically excited electron spin packets in a (110) GaAs quantum well sample to illustrate the capabilities of the instrument.

Structural, dielectric and magnetic properties of (Pb{sub 1−x}Ca{sub x})(Fe{sub 0.5}Nb{sub 0.5})O{sub 3} solid solution ceramics

Energy Technology Data Exchange (ETDEWEB)

Puri, Maalti; Bahel, Shalini [Guru Nanak Dev University, Punjab (India); Raevski, I.P. [Southern Federal University, Rostov-on-Don (Russian Federation); Narang, Sukhleen Bindra [Guru Nanak Dev University, Punjab (India)

2016-06-01

Ceramic samples of (Pb{sub 1−x}Ca{sub x})(Fe{sub 0.5}Nb{sub 0.5})O{sub 3} with x=0.0, 0.20, 0.40, 0.45, 0.50, 0.55, 0.60 and 1.0 were fabricated by columbite precursor method. All the synthesized samples have a perovskite structure and unit cell volume decreases with increasing Ca content. The substitution of Ca for Pb has been found to have a pronounced effect on structural, dielectric and magnetic properties. Saturated magnetic loops were observed at room temperature for compositions with x≥0.40. The observed maximal magnetization at room temperature is rather small and varies non-monotonically with increasing Ca contents. It is supposed that room-temperature magnetic properties of (Pb{sub 1−x}Ca{sub x})(Fe{sub 0.5}Nb{sub 0.5})O{sub 3} ceramics might be due to the presence of ferromagnetic impurity, presumably PbFe{sub 12}O{sub 19} and/or CaFe{sub 12}O{sub 19}. - Highlights: • Ceramic samples have been synthesized using columbite precursor method. • The substitution of Ca for Pb has a pronounced effect on various properties. • Low losses at high frequencies make these ceramics suitable for microwave applications. • M–H loops at room temperature are reported first time.

Electronic structure of Ti/sub 2/O/sub 3/, V/sub 2/O/sub 3/, and Cr/sub 2/O/sub 3/

Energy Technology Data Exchange (ETDEWEB)

Bondarenko, T N; Zhurakovskii, E A; Dzeganovskii, V P [AN Ukrainskoj SSR, Kiev. Inst. Problem Materialovedeniya

1975-11-01

Electronic structure of oxides Ti/sub 2/O/sub 3/, V/sub 2/O/sub 3/, Cr/sub 2/O/sub 3/ was elucidated by means of X-ray and ESCA methods and the results were compared with the data obtained by other methods and with the available models of electronic structures. Energy diagram of V/sub 2/O/sub 3/ and common energy scale of X-ray spectra of Ti and Cr in Ti/sub 2/O/sub 3/ and Cr/sub 2/O/sub 3/ are presented. X-ray spectra show that these oxides possess the states which are related genetically to the M4p-states i.e. the X-ray data complement essentially to the result of optical and electrophysical measurements. MO and M/sub 2/O/sub 3/ compounds in the region of Fermi level have overlapping emission and absorption spectra which is specific to the matters with the metallic type of bonding. Actually TiO, VO, Ti/sub 2/O/sub 3/ and V/sub 2/O/sub 3/ have metallic type of bonding. However such overlap was observed in Cr/sub 2/O/sub 3/ as well whose forbidden zone according to photoconductivity measurments is about 3 eV. Absence of energy gap between emission and absorption spectra in Cr/sub 2/O/sub 3/ may be explained by traces of impurities which convert dielectrics conductors - impurities act as agents caus:ng filling or generation of vacancies rather than independent allowing additives. On the other hand this may be due to the defects in Cr/sub 2/O/sub 3/ lattice which may cause appearance of excited states in forbidden zone. These investigations enable to draw energy diagram of V/sub 2/O/sub 3/ and to combine the spectra of M in Ti/sub 2/O/sub 3/ into common energy scheme. Analysis of the diagram and combined spectra revealed great similarity in the electronic structures of M/sub 2/O/sub 3/ oxides (M - Ti, V, Cr) .

A structural study of the pseudo-binary mercury chalcogenide alloy HgSe sub 0 sub . sub 7 S sub 0 sub . sub 3 at high pressure

CERN Document Server

Kozlenko, D P; Hull, S; Knorr, K; Savenko, B N; Shchennikov, V V; Voronin, V I

2002-01-01

The structure of the pseudo-binary mercury chalcogenide alloy HgSe sub 0 sub . sub 7 S sub 0 sub . sub 3 has been studied by means of X-ray and neutron powder diffraction at pressure up to 8.5 GPa. A phase transition from the cubic zinc blende structure to the hexagonal cinnabar structure was observed at P approx 1 GPa. The obtained structural parameters were used for the analysis of the geometrical relationship between the zinc blende and the cinnabar phases. The zinc blende-cinnabar phase transition is discussed in the framework of the Landau theory of phase transitions. It was found that the possible order parameter for the structural transformation is the spontaneous strain e sub 4. This assignment agrees with previously observed high pressure behaviour of the elastic constants of other mercury chalcogenides

Structure of the non-superconducting phase La/sub 3/Ba/sub 3/Cu/sub 6/Osub(14+ x) and its relation to the high - Tc superconductor YBa/sub 2/Cu/sub 3/Osub(7 -delta)

Energy Technology Data Exchange (ETDEWEB)

David, W.I.F.; Harrison, W.T.A.; Ibberson, R.M.; Grasmeder, J.R.; Lanchester, P.

1987-07-23

The authors report time-of-flight neutron powder diffraction results, which confirm that the structure of La/sub 3/Ba/sub 3/Cu/sub 6/Osub(14 + x) is isomorphous with the tetragonal variant of YBa/sub 2/Cu/sub 3/Osub(7-delta); in particular, the copper coordination and calculated valencies of both compounds agree closely. The apparent contradiction of stoichiometries between these two phases is resolved by ordering of the large cations consistent with a formulation La(Lasub(0.25)Basub(0.75))/sub 2/Cu/sub 3/Osub(7 + 1/2x). The present results indicate that there is a remarkable structural stability from RA/sub 2/Cu/sub 3/O/sub 6/ to RA/sub 2/Cu/sub 3/Osub(7.2), although superconductivity appears to be confined to the range RA/sub 2/Cu/sub 3/Osub(6.5) to Ra/sub 2/Cu/sub 3/O/sub 7/.

Structural and Magnetothermal Properties of Compounds: Yb<sub>5sub>Si_xGe>4-xsub>,Sm>5sub>Si_xGe>4-xsub>, EuO, and Eu<sub>3sub>O>4sub>

Energy Technology Data Exchange (ETDEWEB)

Ahn, Kyunghan [Iowa State Univ., Ames, IA (United States)

2007-01-01

The family of R<sub>5sub>Si_xGe>4-xsub> alloys demonstrates a variety of unique physical phenomena related to magneto-structural transitions associated with reversible breaking and reforming of specific bonds that can be controlled by numerous external parameters such as chemical composition, magnetic field, temperature, and pressure. Therefore, R<sub>5sub>Si_xGe>4-xsub> systems have been extensively studied to uncover the mechanism of the extraordinary magneto-responsive properties including the giant magnetoresistance (GMR) and colossal magnetostriction, as well as giant magnetocaloric effect (GMCE). Until now, more than a half of possible R<sub>5sub>Si_xGe>4-xsub> pseudobinary systems have been completely or partially investigated with respect to their crystallography and phase relationships (R = La, Pr, Nd, Gd, Tb, Dy, Er, Lu, Y). Still, there are other R<sub>5sub>Si_xGe>4-xsub> systems (R = Ce, Sm, Ho, Tm, and Yb) that are not studied yet. Here, we report on phase relationships and structural, magnetic, and thermodynamic properties in the Yb<sub>5sub>Si_xGe>4-xsub>and Sm<sub>5sub>Si_xGe>4-xsub> pseudobinary systems, which may exhibit mixed valence states. The crystallography, phase relationships, and physical properties of Yb<sub>5sub>Si_xGe>4-xsub> alloys with 0 ≤ x ≤ 4 have been examined by using single crystal and powder x-ray diffraction at room temperature, and dc magnetization and heat capacity measurements between 1.8 K and 400 K in magnetic fields ranging from 0 to 7 T. Unlike the majority of R<sub>5sub>Si_xGe>4-xsub> systems studied to date, where R is the rare earth metal, all Yb-based germanide-silicides with the 5:4 stoichiometry crystallize in the same Gd<sub>5sub>Si>4sub>-type structure. The magnetic properties of Yb<sub>5sub>Si_xGe>4-xsub> materials are nearly composition

A new solid solution compound with the Sr{sub 21}Mn{sub 4}Sb{sub 18} structure type. Sr{sub 13}Eu{sub 8}Cd{sub 3}Mn{sub 1}Sb{sub 18}

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Kunz Wille, Elizabeth L.; Cooley, Joya A.; Fettinger, James C.; Kazem, Nasrin; Kauzlarich, Susan M. [California Univ., Davis, CA (United States). Dept. of Chemistry

2017-09-01

The title compound with the nominal formula, Sr{sub 13}Eu{sub 8}Cd{sub 3}Mn{sub 1}Sb{sub 18}, was synthesized by Sn-flux. Structure refinement was based on single-crystal X-ray diffractometer data. Employing the exact composition, the formula is Sr{sub 13.23}Eu{sub 7.77}Cd{sub 3.12}Mn{sub 0.88}Sb{sub 18} for the solid solution Sr{sub 21-x}Eu{sub x}Cd{sub 4-y}Mn{sub y}Sb{sub 18}. This phase adopts the Sr{sub 21}Mn{sub 4}Sb{sub 18} type structure with site preferences for both Eu and Cd. The structure crystallizes in the monoclinic system in space group C2/m and Z=4: a=18.1522(11), b=17.3096(10), c=17.7691(10) Aa, β=91.9638(8) , 6632 F{sup 2} values, 216 variables, R1=0.0254 and wR2=0.0563. Site selectivity of the elements in this new compound will be discussed in relationship with the Sr{sub 21}Mn{sub 4}Sb{sub 18} type structure and other related structure types. Temperature dependent magnetic susceptibility data reveal Curie-Weiss paramagnetism with an experimental moment of 19.3 μ{sub B}/f.u. and a Weiss constant of 0.4 K. Magnetic ordering is seen at low temperatures, with a transition temperature of 3.5 K.

Synthesis, crystal structure and electrical properties of the tetrahedral quaternary chalcogenides CuM{sub 2}InTe{sub 4} (M=Zn, Cd)

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Nolas, George S., E-mail: gnolas@usf.edu [Department of Physics, University of South Florida, Tampa, FL 33620 (United States); Hassan, M. Shafiq; Dong, Yongkwan [Department of Physics, University of South Florida, Tampa, FL 33620 (United States); Martin, Joshua [Material Measurement Laboratory, National Institute of Standards and Technology (NIST), Gaithersburg, MD 20899 (United States)

2016-10-15

Quaternary chalcogenides form a large class of materials that continue to be of interest for energy-related applications. Certain compositions have recently been identified as possessing good thermoelectric properties however these materials typically have the kesterite structure type with limited variation in composition. In this study we report on the structural, optical and electrical properties of the quaternary chalcogenides CuZn{sub 2}InTe{sub 4} and CuCd{sub 2}InTe{sub 4} which crystallize in the modified zinc-blende crystal structure, and compare their properties with that of CuZn{sub 2}InSe{sub 4}. These p-type semiconductors have direct band gaps of about 1 eV resulting in relatively high Seebeck coefficient and resistivity values. This work expands on the research into quaternary chalcogenides with new compositions and structure types in order to further the fundamental investigation of multinary chalcogenides for potential thermoelectrics applications. - Graphical abstract: The structural, optical and electrical properties of the quaternary chalcogenides CuZn{sub 2}InTe{sub 4} and CuCd{sub 2}InTe{sub 4} are reported for the first time. The unique crystal structure allows for relatively good electrical transports and therefore potential for thermoelectric applications. - Highlights: • The physical properties of CuZn{sub 2}InTe{sub 4} and CuCd{sub 2}InTe{sub 4} are reported for the first time. • These materials have potential for thermoelectric applications. • Their direct band gaps also suggest potential for photovoltaics applications.

Synthesis and structure of Li{sub 4}GeS{sub 4}

Energy Technology Data Exchange (ETDEWEB)

Matsushita, Y [National Inst. of Materials and Chemical Research, Tsukuba (Japan). High Pressure Lab.; Kanatzidis, M G [Michigan State Univ., East Lansing, MI (United States). Dept. of Chemistry

1998-01-01

The compound Li{sub 4}GeS{sub 4} has been prepared as transparent, light yellow moisture-sensitive crystals. Li{sub 4}GeS{sub 4} belongs to the space group Pnma with a = 14.107(6) A, b = 7.770(3) A and c = 6.162(2) A. The crystal structure was solved by direct-methods. The final R and R{sub w}-values are 1.85 and 1.65% for 866 observed reflections. The Li{sub 4}GeS{sub 4} structure has three crystallographically independent lithium sites and one germanium site. The lithium atoms adopt two different coordination types. The Li1 atom is coordinated to five sulfur atoms in a square pyramidal geometry, while the Li2 and Li3 atoms have distorted tetrahedral coordination. The Ge atom is tetrahedrally coordinated by four sulfur atoms and is found as [GeS{sub 4}]{sup 4-} units. The anisotropic three-dimensional crystal structure of Li{sub 4}GeS{sub 4} is described. (orig.) 57 refs.

Theoretical study of the structure of a Ga{sub 6}N{sub 6} cluster

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Song Bin; Cao Peilin; Li Baoxing

2003-08-25

The structures and energies of a Ga{sub 6}N{sub 6} cluster have been calculated using a full-potential linear-muffin-tin-orbital (FP-LMTO) method, combined with molecular dynamics and simulated annealing techniques. We obtained 19 structures for a Ga{sub 6}N{sub 6} cluster. The most stable structure we obtained is a C{sub s} three-dimensional structure with a N{sub 2} and N{sub 3} subunits. The calculated results show that the existence of strong N-N bonds still dominates the structure of a Ga{sub 6}N{sub 6} cluster, supporting the previous result made by Kandalam et al. [J. Phys. Chem. B 106 (2002) 1945]. Through the calculation of the density of states we found that the most stable structure of Ga{sub 6}N{sub 6} clusters presented semiconductor-like properties.

Synthesis, crystal and electronic structures and optical properties of (HIm)<sub>2sub> Hg<sub>3sub>Cl>8sub> and (HIm)HgI<sub>3sub> (HIm = imidazolium)

Energy Technology Data Exchange (ETDEWEB)

Nhalil, Hariharan [Univ. of Oklahoma, Norman, OK (United States). Dept. of Chemistry and Biochemistry; Whiteside, Vincent R. [Univ. of Oklahoma, Norman, OK (United States). Homer L. Dodge Dept. of Physics & Astronomy; Sellers, Ian R. [Univ. of Oklahoma, Norman, OK (United States). Homer L. Dodge Dept. of Physics & Astronomy; Ming, Wenmei [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science & Technology Division; Du, Mao-Hua [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science & Technology Division; Saparov, Bayrammurad [Univ. of Oklahoma, Norman, OK (United States). Dept. of Chemistry and Biochemistry

2017-11-22

Here, we report synthesis, crystal and electronic structures, and optical properties of two new Hg-based zero-dimensional hybrid organic-inorganic halides (HIm)2Hg3Cl8 and (HIm)HgI3 (HIm = imidazolium). (HIm)<sub>2sub>Hg>3sub>Cl>8sub> crystallizes in the triclinic P-1 space group with a pseudo-layered structure made of organic imidazolium cation layers and anionic inorganic layers containing [Hg<sub>2sub>Cl>6sub>]^2- units and linear [HgCl<sub>2sub>]⁰ molecules. (HIm)HgI<sub>3sub> crystallizes in the monoclinic P2<sub>1sub>/c space group featuring anionic [HgI<sub>3sub>]- units that are surrounded by imidazolium cations. Based on density functional theory calculations, (HIm)<sub>2sub>Hg>3sub>Cl>8sub> has an indirect band gap, whereas (HIm)HgI<sub>3sub> has a direct band gap with the measured onsets of optical absorption at 3.43 and 2.63 eV, respectively. (HIm)<sub>2sub>Hg>3sub>Cl>8sub> and (HIm)HgI<sub>3sub> are broadband light emitters with broad photoluminescence peaks centered at 548 nm (2.26 eV) and 582 nm (2.13 eV), respectively. In conclusion, following the crystal and electronic structure considerations, the PL peaks are assigned to self-trapped excitons.

Structural studies of CaAl{sub 12}O{sub 19}, SrAl{sub 12}O{sub 19}, La{sub 2/3+δ}Al{sub 12-δ}O{sub 19}, and CaAl{sub 10}NiTiO{sub 19} with the hibonite structure; indications of an unusual type of ferroelectricity

Energy Technology Data Exchange (ETDEWEB)

Li, Jun; Medina, Elena A.; Sleight, Arthur W.; Subramanian, M.A. [Oregon State University, Corvallis, OR (United States). Dept. of Chemistry; Stalick, Judith K. [National Institute of Standards and Technology (NIST), Gaithersburg, MD (United States). Center for Neutron Research

2016-08-01

Various oxides with the hibonite structure were synthesized and structurally analyzed using powder neutron diffraction. The structure of CaAl{sub 12}O{sub 19} at 298 and 11 K shows dipoles that are apparently too dilute to order unless subjected to a suitable electric field. Magnetoplumbites, such as BaFe{sub 12}O{sub 19}, are isostructural with hibonite. These compounds possess ferromagnetic properties, which combined with the electric dipoles may influence multiferroic behavior. Our SrAl{sub 12}O{sub 19} sample showed two distinct hexagonal phases, a major phase with the normal hibonite structure and a minor phase having a closely related structure. Our sample of the defect hibonite phase La{sub 2/3+δ}Al{sub 12-δ}O{sub 19} shows a distinctly higher δ value (0.25) vs. that reported (∝ 0.15) for samples made from the melt. Finally, we used to advantage the negative scattering length of Ti to determine the site occupancies of Ni and Ti in CaAl{sub 10}NiTiO{sub 19}.

Preparation and crystal structure of SrCu/sub 2/Sb/sub 2/ and SrZnBi/sub 2/

Energy Technology Data Exchange (ETDEWEB)

Cordier, G; Eisenmann, B; Schaefer, H [Technische Hochschule Darmstadt (Germany, F.R.). Fachbereich Anorganische Chemie und Kernchemie

1976-10-01

SrCu/sub 2/Sb/sub 2/ and SrZnBi/sub 2/ have been prepared and analytically and structurally characterized. SrCu/sub 2/Sb/sub 2/ crystallizes tetragonal in the CaBe/sub 2/Ge/sub 2/ structure type. SrZnBi/sub 2/ has its own structure type. In both structures the transition metal atoms form with the semimetal atoms tetragonal pyramids, which are connected by common edges of the basis to twodimensional sheets. These sheets are separated in the case of SrCu/sub 2/Sb/sub 2/ by single sheets of strontium atoms, in the case of SrZnBi/sub 2/ by double sheets of strontium atoms in which fourfold nets of Bi atoms are located.

Crystal structure of HgGa{sub 2}Se{sub 4} under compression

Energy Technology Data Exchange (ETDEWEB)

Gomis, Oscar, E-mail: osgohi@fis.upv.es [Centro de Tecnologías Físicas: Acústica, Materiales y Astrofísica, MALTA Consolider Team, Universitat Politècnica de València, 46022 València (Spain); Vilaplana, Rosario [Centro de Tecnologías Físicas: Acústica, Materiales y Astrofísica, MALTA Consolider Team, Universitat Politècnica de València, 46022 València (Spain); Manjón, Francisco Javier [Instituto de Diseño para la Fabricación y Producción Automatizada, MALTA Consolider Team, Universitat Politècnica de València, 46022 València (Spain); Santamaría-Pérez, David [Departamento de Química Física I, Universidad Complutense de Madrid, MALTA Consolider Team, Avenida Complutense s/n, 28040 Madrid (Spain); Departamento de Física Aplicada-ICMUV, MALTA Consolider Team, Universidad de Valencia, Edificio de Investigación, C/Dr. Moliner 50, Burjassot, 46100 Valencia (Spain); Errandonea, Daniel [Departamento de Física Aplicada-ICMUV, MALTA Consolider Team, Universidad de Valencia, Edificio de Investigación, C/Dr. Moliner 50, Burjassot, 46100 Valencia (Spain); and others

2013-06-01

Highlights: ► Single crystals of HgGa{sub 2}Se{sub 4} with defect-chalcopyrite structure were synthesized. ► HgGa{sub 2}Se{sub 4} exhibits a phase transition to a disordered rock salt structure at 17 GPa. ► HgGa{sub 2}Se{sub 4} undergoes a phase transition below 2.1 GPa to a disordered zinc blende. - Abstract: We report on high-pressure x-ray diffraction measurements up to 17.2 GPa in mercury digallium selenide (HgGa{sub 2}Se{sub 4}). The equation of state and the axial compressibilities for the low-pressure tetragonal phase have been determined and compared to related compounds. HgGa{sub 2}Se{sub 4} exhibits a phase transition on upstroke toward a disordered rock-salt structure beyond 17 GPa, while on downstroke it undergoes a phase transition below 2.1 GPa to a phase that could be assigned to a metastable zinc-blende structure with a total cation-vacancy disorder. Thermal annealing at low- and high-pressure shows that kinetics plays an important role on pressure-driven transitions.

Description and crystal structure of albrechtschraufite, MgCa{sub 4}F{sub 2}[UO{sub 2}(CO{sub 3}){sub 3}]{sub 2}.17-18H{sub 2}O

Energy Technology Data Exchange (ETDEWEB)

Mereiter, K. [Vienna Univ. of Technology (Austria). Inst. of Chemical Technologies and Analytics

2013-04-15

Albrechtschraufite, MgCa{sub 4}F{sub 2}[UO{sub 2}(CO{sub 3}){sub 3}]{sub 2}.17-18H{sub 2}O, triclinic, space group P anti 1, a = 13.569(2), b = 13.419(2), c = 11.622(2) Aa, α = 115.82(1), β = 107.61(1), γ = 92.84(1) (structural unit cell, not reduced), V = 1774.6(5) Aa{sup 3}, Z = 2, Dc = 2.69 g/cm{sup 3} (for 17.5 H{sub 2}O), is a mineral that was found in small amounts with schroeckingerite, NaCa{sub 3}F[UO{sub 2}(CO{sub 3}){sub 3}](SO{sub 4}).10H{sub 2}O, on a museum specimen of uranium ore from Joachimsthal (Jachymov), Czech Republic. The mineral forms small grain-like subhedral crystals (= 0.2 mm) that resemble in appearance liebigite, Ca{sub 2}[UO{sub 2}(CO{sub 3}){sub 3}]. ∝ 11H{sub 2}O. Colour pale yellow-green, luster vitreous, transparent, pale bluish green fluorescence under ultraviolet light. Optical data: Biaxial negative, nX = 1.511(2), nY = 1.550(2), nZ = 1.566(2), 2V = 65(1) (λ = 589 nm), r < v weak. After qualitative tests had shown the presence of Ca, U, Mg, CO{sub 2} and H{sub 2}O, the chemical formula was determined by a crystal structure analysis based on X-ray four-circle diffractometer data. The structure was later on refined with data from a CCD diffractometer to R1 = 0.0206 and wR2 = 0.0429 for 9,236 independent observed reflections. The crystal structure contains two independent [UO{sub 2}(CO{sub 3}){sub 3}]{sup 4-} anions of which one is bonded to two Mg and six Ca while the second is bonded to only one Mg and three Ca. Magnesium forms a MgF{sub 2}(O{sub carbonate}){sub 3}(H{sub 2}O) octahedron that is linked via the F atoms with three Ca atoms so as to provide each F atom with a flat pyramidal coordination by one Mg and two Ca. Calcium is 7- and 8-coordinate forming CaFO{sub 6}, CaF{sub 2}O{sub 2}(H{sub 2}O){sub 4}, CaFO{sub 3}(H{sub 2}O){sub 4} and CaO{sub 2}(H{sub 2}O){sub 6} coordination polyhedra. The crystal structure is built up from MgCa{sub 3}F{sub 2}[UO{sub 2}(CO{sub 3}){sub 3}].8H{sub 2}O layers parallel to (001) which

The compositional, structural, and magnetic properties of a Fe{sub 3}O{sub 4}/Ga{sub 2}O{sub 3}/GaN spin injecting hetero-structure grown by metal-organic chemical vapor deposition

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Xu, Zhonghua; Huang, Shimin [Nanjing National Laboratory of Microstructures and School of Electronic Science and Engineering, Nanjing University, Nanjing 210023 (China); Tang, Kun, E-mail: ktang@nju.edu.cn [Nanjing National Laboratory of Microstructures and School of Electronic Science and Engineering, Nanjing University, Nanjing 210023 (China); Gu, Shulin, E-mail: slgu@nju.edu.cn [Nanjing National Laboratory of Microstructures and School of Electronic Science and Engineering, Nanjing University, Nanjing 210023 (China); Zhu, Shunming [Nanjing National Laboratory of Microstructures and School of Electronic Science and Engineering, Nanjing University, Nanjing 210023 (China); Ye, Jiandong [Nanjing National Laboratory of Microstructures and School of Electronic Science and Engineering, Nanjing University, Nanjing 210023 (China); Nanjing University Institute of Optoelectronics at Yangzhou, Yangzhou 225009 (China); Xu, Mingxiang [Department of Physics, Southeast University, Nanjing 210096 (China); Wang, Wei; Zheng, Youdou [Nanjing National Laboratory of Microstructures and School of Electronic Science and Engineering, Nanjing University, Nanjing 210023 (China)

2016-12-01

Highlights: • The Fe{sub 3}O{sub 4}/Ga{sub 2}O{sub 3}/GaN hetero-structure has been fabricated by MOCVD successfully. • The formation mechanism of different layers in sample was revealed in details. • The properties of the hetero-structure have been presented and discussed extensively. • The effect of Ga diffusion on the magnetic properties of Fe{sub 3}O{sub 4} film has been shown. - Abstract: In this article, the authors have designed and fabricated a Fe{sub 3}O{sub 4}/Ga{sub 2}O{sub 3}/GaN spin injecting hetero-structure by metal-organic chemical vapor deposition. The compositional, structural, and magnetic properties of the hetero-structure have been characterized and discussed. From the characterizations, the hetero-structure has been successfully grown generally. However, due to the unintentional diffusion of Ga ions from Ga{sub 2}O{sub 3}/GaN layers, the most part of the nominal Fe{sub 3}O{sub 4} layer is actually in the form of Ga{sub x}Fe{sub 3−x}O{sub 4} with gradually decreased x values from the Fe{sub 3}O{sub 4}/Ga{sub 2}O{sub 3} interface to the Fe{sub 3}O{sub 4} surface. Post-annealing process can further aggravate the diffusion. Due to the similar ionic radius of Ga and Fe, the structural configuration of the Ga{sub x}Fe{sub 3−x}O{sub 4} does not differ from that of pure Fe{sub 3}O{sub 4}. However, the ferromagnetism has been reduced with the incorporation of Ga into Fe{sub 3}O{sub 4}, which has been explained by the increased Yafet-Kittel angles in presence of considerable amount of Ga incorporation. A different behavior of the magnetoresistance has been found on the as-grown and annealed samples, which could be modelled and explained by the competition between the spin-dependent and spin-independent conduction channels. This work has provided detailed information on the interfacial properties of the Fe{sub 3}O{sub 4}/Ga{sub 2}O{sub 3}/GaN spin injecting hetero-structure, which is the solid basis for further improvement and application of

Crystal growth and structure of KLnP/sub 4/O/sub 12/

International Nuclear Information System (INIS)

Guangyan, H.; Shuzhen, L.; Shuying, Y.; Mingyu, C.

1985-01-01

Potassium rare earth tetraphosphates KLnP/sub 4/O/sub 12/ are a kind of polyphosphates of rare earths with unique properties and structures. KNdP/sub 4/O/sub 12/ is a high-Nd-concentration laser material with a non-centrosymmetric space group P2, yielding linear and nonlinear optical properties. α-KErP/sub 4/O/sub 12/ might be used as a material for engineering device purpose. KTbP/sub 4/O/sub 12/ can emit strong green fluorescence, it might be a kind of a new crystal material for laser or luminescence. In order to search for new crystal materials and to study the correlations among the composition, structures and the properties of rare earth compounds, the crystal growth of KLnP/sub 4/O/sub 12/ and their structures are studied in this paper

Measurement of transient atomic displacements in thin films with picosecond and femtometer resolution

Directory of Open Access Journals (Sweden)

M. Kozina

2014-05-01

Full Text Available We report measurements of the transient structural response of weakly photo-excited thin films of BiFeO3, Pb(Zr,TiO3, and Bi and time-scales for interfacial thermal transport. Utilizing picosecond x-ray diffraction at a 1.28 MHz repetition rate with time resolution extending down to 15 ps, transient changes in the diffraction angle are recorded. These changes are associated with photo-induced lattice strains within nanolayer thin films, resolved at the part-per-million level, corresponding to a shift in the scattering angle three orders of magnitude smaller than the rocking curve width and changes in the interlayer lattice spacing of fractions of a femtometer. The combination of high brightness, repetition rate, and stability of the synchrotron, in conjunction with high time resolution, represents a novel means to probe atomic-scale, near-equilibrium dynamics.

Structure and physical properties of Cr{sub 5}B{sub 3}-type Ta{sub 5}Si{sub 3} and Ta{sub 5}Ge{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Yuan, Fang; Forbes, Scott [Department of Chemistry and Chemical Biology, McMaster University, 1280 Main Street West, Hamilton, Ontario L8S 4M1 (Canada); Ramachandran, Krishna Kumar [Department of Chemistry, University of Alberta, Edmonton, Alberta T6G 2G2 (Canada); Mozharivskyj, Yurij, E-mail: mozhar@mcmaster.ca [Department of Chemistry and Chemical Biology, McMaster University, 1280 Main Street West, Hamilton, Ontario L8S 4M1 (Canada)

2015-11-25

The Cr{sub 5}B{sub 3}-type Ta{sub 5}Si{sub 3} phase was prepared by arc-melting, while the Cr{sub 5}B{sub 3}-type Ta{sub 5}Ge{sub 3} one was synthesized through sintering at 1000 °C. X-ray single crystal diffraction was employed to elucidate their structure. According to the magnetization measurements, both Ta{sub 5}Si{sub 3} and Ta{sub 5}Ge{sub 3} are Pauli paramagnets, with Ta{sub 5}Ge{sub 3} showing a Curie-Weiss-like paramagnetic behavior at low temperatures likely due to presence of paramagnetic impurity. Both Ta{sub 5}Si{sub 3} and Ta{sub 5}Ge{sub 3} display a very low electrical resistivity from 2 to 300 K. The resistivity is constant below 20 K, but displays a positive temperature coefficient above 20 K. Electronic structure calculations with the TB-LMTO-ASA method support the metallic character of the two phases and suggest that the bonding is optimized in both phases. - Highlights: • Synthesis of Cr{sub 5}B{sub 3}-type Ta{sub 5}Si{sub 3} and Ta{sub 5}Ge{sub 3} phases with high purity by arc-melting and sintering, respectively. • Magnetization data and electrical resistivity of the Cr{sub 5}B{sub 3}-type Ta{sub 5}Si{sub 3} and Ta{sub 5}Ge{sub 3} phases. • Crystal and electronic structure analysis for Ta{sub 5}Si{sub 3} and Ta{sub 5}Ge{sub 3} phase by X-ray diffraction and TB-LMTO-ASA calculations.

Development of picosecond pulsed electron beam monitor

International Nuclear Information System (INIS)

Hosono, Y.; Nakazawa, M.; Ueda, T.; Kobayasi, T.; Yosida, Y.; Ohkuma, J.; Okuda, S.; Suemine, S.

1993-01-01

For the picosecond pulsed electron beam of a linear accelerator a simple monitor using an electric connector has been developed which is constructed with SMA, BNC, N type electric connector through pipe (inner diameter = 50 mm or 100 mm). Under the measurement conditions of peak current (26A-900A) and narrow pulse width (Pw = 10 ps(FWHM), Pw = 30 ps(FWHM)), the following characteristics of this monitor were obtained, (A) rise time is less than 25 ps (B) the amplitude of the monitor output pulse is proportional directly to the area of cross section of the electrode. (author)

Er{sub 1.33}Pt{sub 3}Ga{sub 8}: A modulated variant of the Er{sub 4}Pt{sub 9}Al{sub 24}-structure type

Energy Technology Data Exchange (ETDEWEB)

Oswald, Iain W.H. [Department of Chemistry and Biochemistry, University of Texas at Dallas, Richardson, TX 75080 (United States); Gourdon, Olivier [Research and Development, ZS Pharma, Coppell, TX 75109 (United States); Bekins, Amy; Evans, Jess [Department of Chemistry and Biochemistry, University of Texas at Arlington, Arlington, TX 76019 (United States); Treadwell, LaRico J. [Department of Chemistry and Biochemistry, University of Texas at Dallas, Richardson, TX 75080 (United States); Chan, Julia Y., E-mail: Julia.Chan@utdallas.edu [Department of Chemistry and Biochemistry, University of Texas at Dallas, Richardson, TX 75080 (United States); Macaluso, Robin T., E-mail: robin.macaluso@uta.edu [Department of Chemistry and Biochemistry, University of Texas at Arlington, Arlington, TX 76019 (United States); Department of Chemistry and Biochemistry, University of Northern Colorado, Greeley, CO 80639 (United States)

2016-10-15

Single crystals of Er{sub 1.33}Pt{sub 3}Ga{sub 8} were synthesized in a molten Ga flux. Er{sub 1.33}Pt{sub 3}Ga{sub 8} can be considered to be a modulated variant of the Er{sub 4}Pt{sub 9}Al{sub 24}-structure type, where the partial occupancies are ordered. Indeed, the presence of weak satellite reflections indicates a complex organization and distribution of the Er and Ga atoms within the [ErGa] slabs. The structure has been solved based on single crystal X-ray diffraction data in the monoclinic superspace group X2/m(0β0)00 with a commensurate modulated vector q=1/3b*. Precession images also indicate diffusion in the perpendicular direction indicating a partial disorder of this arrangement from layer to layer. In addition, Er{sub 1.33}Pt{sub 3}Ga{sub 8} shows antiferromagnetic ordering at T{sub N}~5 K. - Graphical abstract: A precession image of the hk0 zone showing weak, periodic, unindexed reflections indicating modulation and representation of the commensurate [ErGa] layer showing the waving modulated occupation. - Highlights: • Single crystals of Er{sub 1.33}Pt{sub 3}Ga{sub 8} were grown from gallium flux. • The structure of Er{sub 1.33}Pt{sub 3}Ga{sub 8} is compared to Er{sub 4}Pt{sub 9}Al{sub 24}. • Structure has been solved in the monoclinic superspace group X2/m(0β0)00 with a commensurate modulated vector q=1/3b*.

Zn{sub x-1}Cu{sub x}Mn{sub 2}O{sub 4} spinels; synthesis, structural characterization and electrical evaluation

Energy Technology Data Exchange (ETDEWEB)

Mendez M, F.; Lima, E.; Bosch, P.; Pfeiffer, H. [UNAM, Instituto de Investigaciones en Materiales, Circuito Exterior, Ciudad Universitaria, 04510 Mexico D. F. (Mexico); Gonzalez, F., E-mail: pfeiffer@iim.unam.m [Universidad Autonoma Metropolitana, Unidad Iztapalapa, Av. San Rafael Atlixco No. 186, Col. Vicentina, 09340 Mexico D. F. (Mexico)

2010-07-01

This work presents the structural characterization and electrical evaluation of Zn{sub x-1}Cu{sub x}Mn{sub 2}O{sub 4} spinels, which are materials presented as secondary phases into the vari stor ceramic systems. Samples were analyzed by X-ray diffraction, solid-state nuclear magnetic resonance, infrared spectroscopy, scanning electron microscopy and impedance spectroscopy. Although, the addition of copper to the ZnMn{sub 2}O{sub 4} spinel did not produce morphological changes, the structure and electrical behaviors changed considerably. Structurally, copper addition induced the formation of partial inverse spinels, and its addition increases significantly the electrical conductivity. Therefore, the formation of Zn{sub x-1}Cu{sub x}Mn{sub 2}O{sub 4} spinels, as secondary phases into the vari stor materials, may compromise significantly the vari stor efficiency. (Author)

First-principles prediction of the structural, elastic, thermodynamic, electronic and optical properties of Li{sub 4}Sr{sub 3}Ge{sub 2}N{sub 6} quaternary nitride

Energy Technology Data Exchange (ETDEWEB)

Boudrifa, O. [Laboratory for Developing New Materials and their Characterization, University of Setif 1, 19000 Setif (Algeria); Bouhemadou, A., E-mail: a_bouhemadou@yahoo.fr [Laboratory for Developing New Materials and their Characterization, University of Setif 1, 19000 Setif (Algeria); Guechi, N. [Department of Physics, Faculty of Science, University of Setif 1, 19000 Setif (Algeria); Bin-Omran, S. [Department of Physics and Astronomy, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451 (Saudi Arabia); Department of Physics, Faculty of Science and Humanitarian Studies, Salman Bin Abdalaziz University, Alkharj 11942 (Saudi Arabia); Al-Douri, Y. [Institute of Nano Electronic Engineering, Universiti Malaysia Perlis, 01000 Kangar, Perlis (Malaysia); Khenata, R. [Laboratoire de Physique Quantique et de Modélisation Mathématique (LPQ3M), Département de Technologie, Université de Mascara, 29000 Mascara (Algeria)

2015-01-05

Highlights: • Some physical properties of the quaternary nitride Li{sub 4}Sr{sub 3}Ge{sub 2}N{sub 6} have been predicted. • Elastic parameters reveal that Li{sub 4}Sr{sub 3}Ge{sub 2}N{sub 6} is mechanically stable but anisotropi. • Li{sub 4}Sr{sub 3}Ge{sub 2}N{sub 6} is an indirect semiconductor. • The fundamental indirect band gap changes to direct one under pressure effect. • The optical properties exhibit noticeable anisotropy. - Abstract: Structural parameters, elastic constants, thermodynamic properties, electronic structure and optical properties of the monoclinic Li{sub 4}Sr{sub 3}Ge{sub 2}N{sub 6} quaternary nitride are investigated theoretically for the first time using the pseudopotential plane-wave based first-principles calculations. The calculated structural parameters are in excellent agreement with the experimental data. This serves as a proof of reliability of the used theoretical method and gives confidence in the predicted results on aforementioned properties of Li{sub 4}Sr{sub 3}Ge{sub 2}N{sub 6}. The predicted elastic constants C{sub ij} reveal that Li{sub 4}Sr{sub 3}Ge{sub 2}N{sub 6} is mechanically stable but anisotropic. The elastic anisotropy is further illustrated by the direction-dependent of the linear compressibility and Young’s modulus. Macroscopic elastic parameters, including the bulk and shear moduli, the Young’s modulus, the Poisson ratio, the velocities of elastic waves and the Debye temperature are numerically estimated. The pressure and temperature dependence of the unit cell volume, isothermal bulk modulus, volume expansion coefficient, specific heat and Debye temperature are investigated through the quasiharmonic Debye model. The band structure and the density of states of Li{sub 4}Sr{sub 3}Ge{sub 2}N{sub 6} are analyzed, which reveals the semiconducting character of Li{sub 4}Sr{sub 3}Ge{sub 2}N{sub 6}. The complex dielectric function, refractive index, extinction coefficient, absorption coefficient, reflectivity

Temperature-dependent structural relaxation in As{sub 40}Se{sub 60} glass

Energy Technology Data Exchange (ETDEWEB)

Golovchak, R., E-mail: roman_ya@yahoo.com [Lviv Sci. and Res. Institute of Materials of SRC ' Carat' , 202 Stryjska str., 79031 Lviv (Ukraine); Kozdras, A. [Opole University of Technology, 75, Ozimska str., Opole, PL-45370 (Poland); Academy of Management and Administration, 18 Niedzialkowski str., Opole, PL-45085 (Poland); Shpotyuk, O. [Jan Dlugosz University, 13/15, al. Armii Krajowej, 42201, Czestochowa (Poland); Gorecki, Cz. [Opole University of Technology, 75, Ozimska str., Opole, PL-45370 (Poland); Kovalskiy, A.; Jain, H. [Department of Materials Science and Engineering, Lehigh University, 5 East Packer Avenue, Bethlehem, PA 18015-3195 (United States)

2011-08-01

The origin of structural relaxation in As{sub 40}Se{sub 60} glass at different annealing temperatures is studied by differential scanning calorimetry (DSC) and in situ extended X-ray absorption fine structure (EXAFS) methods. Strong physical aging effect, expressed through the increase of endothermic peak area in the vicinity of T{sub g}, is recorded by DSC technique at the annealing temperatures T{sub a}>90{sup o}C. EXAFS data show that the observed structural relaxation is not associated with significant changes in the short-range order of this glass. An explanation is proposed for this relaxation behavior assuming temperature-dependent constraints. -- Highlights: → In this study we report experimental evidence for temperature-dependent constraints theory. → Structural relaxation of As{sub 2}Se{sub 3} glass at higher annealing temperatures is studied by DSC technique. → Accompanied changes in the structure are monitored by in situ EXAFS measurements.

Structural and magnetic properties of Fe{sub 60}Al{sub 40} alloys prepared by means of a magnetic mill

Energy Technology Data Exchange (ETDEWEB)

Bernal-Correa, R. [Laboratorio de Magnetismo y Materiales Avanzados, Facultad de Ciencias Exactas y Naturales, Universidad Nacional de Colombia, Manizales (Colombia); Rosales-Rivera, A., E-mail: arosalesr@unal.edu.c [Laboratorio de Magnetismo y Materiales Avanzados, Facultad de Ciencias Exactas y Naturales, Universidad Nacional de Colombia, Manizales (Colombia); Pineda-Gomez, P. [Laboratorio de Magnetismo y Materiales Avanzados, Facultad de Ciencias Exactas y Naturales, Universidad Nacional de Colombia, Manizales (Colombia); Universidad de Caldas, Manizales (Colombia); Salazar, N.A. [Laboratorio de Magnetismo y Materiales Avanzados, Facultad de Ciencias Exactas y Naturales, Universidad Nacional de Colombia, Manizales (Colombia)

2010-04-16

A study on synthesis, structural and magnetic characterization of Fe{sub 60}Al{sub 40} (at.%) alloys prepared by means of mechanical alloying process is presented. The mechanical alloying was performed using a milling device with magnetically controlled ball movement (Uni-Ball-Mill 5 equipment) at several milling times. The characterization was carried out via X-ray diffraction (XRD), scanning electron microscopy (SEM) and vibrating sample magnetometer (VSM). The effects of milling time on the structural state, morphological evolution and magnetic behaviour of the Fe{sub 60}Al{sub 40} (at.%) alloys are discussed. Besides, in this current study we emphasize the result that indicating a ferro-para-ferromagnetic transition from a correlation between X-ray diffraction and magnetization data.

Li{sub 4}Ba[BN{sub 2}]{sub 2} - structure and vibrational spectra

Energy Technology Data Exchange (ETDEWEB)

Seidel, Stefan; Rodewald, Ute C.; Poettgen, Rainer [Institut fuer Anorganische und Analytische Chemie, Universitaet Muenster (Germany); Somer, Mehmet; Kiraz, Kamil [Chemistry Department, Koc University, Sariyer-Istanbul (Turkey)

2017-12-13

The nitridoborate Li{sub 4}Ba[BN{sub 2}]{sub 2} was synthesized from a 4:1 molar ratio of Li{sub 3}[BN]{sub 2} and Ba{sub 3}[BN{sub 2}]{sub 2} in an arc-welded niobium ampoule at a maximum annealing temperature of 1173 K. The structure was refined from single-crystal X-ray diffractometer data: new type, P1, a = 533.9(2), b = 585.0(3), c = 860.6(4) pm, α = 80.72(3), β = 73.84(6), γ = 89.87(4) , wR{sub 2} = 0.1196, 1429 F{sup 2} values, 50 variables. The Li{sub 4}Ba[BN{sub 2}]{sub 2} structure contains two crystallographically independent [BN{sub 2}]{sup 3-} units with 134 pm B-N distance, which are slightly bent: 178 for N2-B1-N1 and 175 for N4-B2-N3. Due to the high lithium content both [BN{sub 2}]{sup 3-} units have a strongly distorted coordination by 8Li{sup +} + 3Ba{sup 2+}. The four crystallographically independent lithium cations show distorted tetrahedral coordination by [BN{sub 2}]{sup 3-} units with Li-N distances ranging from 195 to 247 pm. IR and Raman spectra show the typical vibrations of the [BN{sub 2}] unit along with a well-resolved splitting of the ν({sup 10}B) and ν({sup 11}B) frequencies. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Electronic structure and vibrational properties of KRbAl{sub 2}B{sub 2}O{sub 7}

Energy Technology Data Exchange (ETDEWEB)

Atuchin, V.V. [Laboratory of Optical Materials and Structures, Institute of Semiconductor Physics, SB RAS, Novosibirsk 90, 630090 (Russian Federation); Adichtchev, S.V. [Laboratory of Condensed Matter Spectroscopy, Institute of Automation and Electrometry, SB RAS, Novosibirsk 90, 630090 (Russian Federation); Bazarov, B.G.; Bazarova, Zh.G. [Laboratory of Oxide Systems, Baikal Institute of Nature Management, SB RAS, Ulan-Ude 47, 670047 (Russian Federation); Gavrilova, T.A. [Laboratory of Nanodiagnostics and Nanolithography, Institute of Semiconductor Physics, SB RAS, Novosibirsk 630090 (Russian Federation); Grossman, V.G. [Laboratory of Oxide Systems, Baikal Institute of Nature Management, SB RAS, Ulan-Ude 47, 670047 (Russian Federation); Kesler, V.G. [Laboratory of Physical Principles for Integrated Microelectronics, Institute of Semiconductor Physics, Novosibirsk, 630090 (Russian Federation); Meng, G.S. [Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, P.O. Box 2711, Beijing 100190 (China); Key Laboratory of Quantum Information, University of Science and Technology of China, Chinese Academy of Sciences, Hefei, Anhui 230026 (China); Lin, Z.S., E-mail: zslin@mail.ipc.ac.cn [Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, P.O. Box 2711, Beijing 100190 (China); Surovtsev, N.V. [Laboratory of Condensed Matter Spectroscopy, Institute of Automation and Electrometry, SB RAS, Novosibirsk 90, 630090 (Russian Federation)

2013-03-15

Graphical abstract: With the KRbAl{sub 2}B{sub 2}O{sub 7} powder formed by solid state synthesis (left), Raman spectrum (right upper) and XPS valence electronic states (right lower) were measured, agreed with the first-principles results. Highlights: ► KRbAl{sub 2}B{sub 2}O{sub 7} powder was obtained by solid state synthesis. ► Vibrational properties of KRbAl{sub 2}B{sub 2}O{sub 7} were determined by unpolarized Raman spectrum. ► Electronic structures of KRbAl{sub 2}B{sub 2}O{sub 7} were measured by XPS. ► Experimental electronic structure is consistent with the first-principles result. ► KRbAl{sub 2}B{sub 2}O{sub 7} has a noticeable refractive indices increase and small NLO effects decrease compared to K{sub 2}Al{sub 2}B{sub 2}O{sub 7}. - Abstract: The physical properties of KRbAl{sub 2}B{sub 2}O{sub 7} have been considered in comparison with those of K{sub 2}Al{sub 2}B{sub 2}O{sub 7} and Rb{sub 2}Al{sub 2}B{sub 2}O{sub 7}. The vibrational parameters of KRbAl{sub 2}B{sub 2}O{sub 7} have been measured by Raman spectroscopy as very similar to those of K{sub 2}Al{sub 2}B{sub 2}O{sub 7}. The electronic structures of KRbAl{sub 2}B{sub 2}O{sub 7} have been evaluated by X-ray photoelectron spectroscopy and ab initio computations using CASTEP package. A noticeable refractive indices increase and small decrease of nonlinear optical properties have been found in KRbAl{sub 2}B{sub 2}O{sub 7} in reference to optical parameters of K{sub 2}Al{sub 2}B{sub 2}O{sub 7}.

NATO Advanced Research Workshop on Applications of Picosecond Spectroscopy to Chemistry

CERN Document Server

1984-01-01

With the development of lasers that can generate light 11 14 pulses ranging from 10- - 10- sec duration, and capable of 13 peak powers in excess of 10 watts scientists have been able to investigate the interactions of light with matter in a time and power domain not previously possible. These ultrashort laser pulses provide a powerful tool for the study of chemical phenomena at the most fundamental level. Many of the elementary processes of importance in chemistry including energy dissipa­ tion, molecular motions, structural and chemical changes occur on a very short time scale and thus require special approaches. Th~ use of ultrashort laser pulses to perturb and to probe systems of interest affords a direct approach to the time reso­ lution of very rapid chemical phenomena. It was recognition of the impact of these relatively new approaches to chemical phenomena that motivated NATO to sponsor a meeting on the applications of picosecond spectroscopy in chemistry. The primary aim of the NATO workshop was to ...

Structure and superconductivity in (Bi{sub 0.35}Cu{sub 0.65})Sr{sub 2}YCu{sub 2}O{sub 7} and related materials

Energy Technology Data Exchange (ETDEWEB)

Jennings, R.A.; Williams, S.P.; Greaves, C. [Univ. of Birmingham (United Kingdom)

1994-12-31

The recently reported (Bi/Cu)Sr{sub 2}YCu{sub 2}O{sub 7} phase has been studied by time of flight powder neutron diffraction. The proposed 1212 structure has been confirmed and refinements have shown the oxygen in the (Bi/Cu)O layer is displaced by 0.78{angstrom} from the ideal (1/2,1/2,0) site (P4/mmm space group) along (100). Bond Valence Sum calculations have suggested oxidation states of Bi{sup 5+} and Cu{sup 2+} for the cations in the (Bi/Cu)O layers. The material is non-superconducting and all attempts to induce superconductivity have been unsuccessful. Work on the related material (Ce/Cu)Sr{sub 2}YCu{sub 2}O{sub y} has shown the ideal Ce content to be 0.5 Ce per formula unit. The introduction of Ba (10%) onto the Sr site dramatically increases phase stability and also induces superconductivity (62K).

Direct Structural and Chemical Characterization of the Photolytic Intermediates of Methylcobalamin Using Time-Resolved X-ray Absorption Spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Subramanian, Ganesh; Zhang, Xiaoyi; Kodis, Gerdenis; Kong, Qingyu; Liu, Cunming; Chizmeshya, Andrew; Weierstall, Uwe; Spence, John

2018-04-05

Cobalt−carbon bond cleavage is crucial to most natural and synthetic applications of the cobalamin class of compounds, and here we present the first direct electronic and geometric structural characteristics of intermediates formed following photoexcitation of methylcobalamin (MeCbl) using time-resolved X-ray absorption spectroscopy (XAS). We catch transients corresponding to two intermediates, in the hundreds of picoseconds and a few microseconds. Highlights of the picosecond intermediate, which is reduced in comparison to the ground state, are elongation of the upper axial Co−C bond and relaxation of the corrin ring. This is not so with the recombining photocleaved products captured at a few microseconds, where the Co−C bond almost (yet not entirely) reverts to its ground state configuration and a substantially elongated lower axial Co−NIm bond is observed. The reduced cobalt site here confirms formation of methyl radical as the photoproduct.

Structural features of layered iron pnictide oxides (Fe{sub 2}As{sub 2})(Sr{sub 4}M{sub 2}O{sub 6})

Energy Technology Data Exchange (ETDEWEB)

Ogino, H., E-mail: tuogino@mail.ecc.u-tokyo.ac.j [Department of Applied Chemistry, University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656 (Japan); JST-TRIP, Sanban-cho, Chiyoda-ku, Tokyo 102-0075 (Japan); Sato, S.; Matsumura, Y.; Kawaguchi, N.; Ushiyama, K. [Department of Applied Chemistry, University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656 (Japan); JST-TRIP, Sanban-cho, Chiyoda-ku, Tokyo 102-0075 (Japan); Katsura, Y. [Magnetic Materials Laboratory, RIKEN, 2-1 Hirosawa, Wako-shi, Saitama 351-0198 (Japan); Horii, S. [JST-TRIP, Sanban-cho, Chiyoda-ku, Tokyo 102-0075 (Japan); Kochi University of Technology, Kami, Kochi 782-8502 (Japan); Kishio, K.; Shimoyama, J. [Department of Applied Chemistry, University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656 (Japan); JST-TRIP, Sanban-cho, Chiyoda-ku, Tokyo 102-0075 (Japan)

2010-12-15

Structural features of newly found perovskite-based iron pnictide oxide system have been studied. Compared to REFePnO system, perovskite-based system tend to have smaller Pn-Fe-Pn angle and higher pnictogen height owing to low electronegativity of alkaline earth metal and small repulsive force between pnictogen and oxigen atoms. As-Fe-As angles of (Fe{sub 2}As{sub 2})(Sr{sub 4}Cr{sub 2}O{sub 6}), (Fe{sub 2}As{sub 2})(Sr{sub 4}V{sub 2}O{sub 6}) and (Fe{sub 2}Pn{sub 2})(Sr{sub 4}MgTiO{sub 6}) are close to ideal tetrahedron and those pnictogen heights of about 1.40 A are close to NdFeAsO with optimized carrier concentration. These structural features of this system may lead to realization of high-T{sub c} superconductivity in this system.

Structure and properties of ZnO-B{sub 2}O{sub 3}-P{sub 2}O{sub 5}-TeO{sub 2} glasses

Energy Technology Data Exchange (ETDEWEB)

Mosner, Petr, E-mail: petr.mosner@upce.cz [Department of General and Inorganic Chemistry, University of Pardubice, Faculty of Chemical Technology, 53210 Pardubice (Czech Republic); Vosejpkova, Katerina; Koudelka, Ladislav [Department of General and Inorganic Chemistry, University of Pardubice, Faculty of Chemical Technology, 53210 Pardubice (Czech Republic); Montagne, Lionel; Revel, Bertrand [Unite de Catalyse et de Chimie du Solide - UCCS, Univ Lille Nord de France, F-59000, CNRS UMR 8181, USTL F-59655, ENSCL F-59652, Villeneuve d' Ascq (France)

2010-11-01

Zinc borophosphate glasses doped with TeO{sub 2} were studied in the compositional series (100 - x)[0.5ZnO-0.1B{sub 2}O{sub 3}-0.4P{sub 2}O{sub 5}]-xTeO{sub 2} in a broad concentration range of x = 0-80 mol% TeO{sub 2}. The structure of the glasses was studied by Raman and IR spectroscopy and by {sup 31}P and {sup 11}B MAS NMR spectroscopy. According to the Raman and IR spectra, TeO{sub 2} is incorporated in the structural network in the form of TeO{sub 3}, TeO{sub 3+1} and TeO{sub 4} structural units. The ratio of TeO{sub 4}/TeO{sub 3} increases with increasing TeO{sub 2} content in the glasses. The incorporation of TeO{sub x} units into the glass network is associated with the depolymerisation of phosphate chains, as revealed by Raman spectroscopy. The incorporation of TeO{sub 2} modifies also the coordination of boron atoms, where B(OP){sub 4} structural units are gradually replaced by B(OP){sub 4-n}(OTe){sub n} units. The addition of TeO{sub 2} to the parent zinc borophosphate glass results in a decrease of glass transition temperature associated with the replacement of stronger P-O and B-O bonds by weaker Te-O bonds. Chemical durability of glasses reveals a minimum at the glass containing 10 mol% TeO{sub 2}, but with further additions of TeO{sub 2} it improves and the glasses with a high TeO{sub 2} content reveal better durability than the parent zinc borophosphate glass.

Picosecond X-ray streak camera dynamic range measurement

Energy Technology Data Exchange (ETDEWEB)

Zuber, C., E-mail: celine.zuber@cea.fr; Bazzoli, S.; Brunel, P.; Gontier, D.; Raimbourg, J.; Rubbelynck, C.; Trosseille, C. [CEA, DAM, DIF, F-91297 Arpajon (France); Fronty, J.-P.; Goulmy, C. [Photonis SAS, Avenue Roger Roncier, BP 520, 19106 Brive Cedex (France)

2016-09-15

Streak cameras are widely used to record the spatio-temporal evolution of laser-induced plasma. A prototype of picosecond X-ray streak camera has been developed and tested by Commissariat à l’Énergie Atomique et aux Énergies Alternatives to answer the Laser MegaJoule specific needs. The dynamic range of this instrument is measured with picosecond X-ray pulses generated by the interaction of a laser beam and a copper target. The required value of 100 is reached only in the configurations combining the slowest sweeping speed and optimization of the streak tube electron throughput by an appropriate choice of high voltages applied to its electrodes.

Influence of structural disorder on the optical and transport properties of Co sub 0 sub . sub 5 sub 0 Ti sub 0 sub . sub 5 sub 0 alloy films

CERN Document Server

Kim, K W; Rhee, J Y; Kudryavtsev, Y V; Ri, H C

2000-01-01

Co sub 0 sub . sub 5 sub 0 Ti sub 0 sub . sub 5 sub 0 alloy films with a total thickness of about 100 nm were prepared by flash evaporation of the crushed alloy powders onto heated (730 K for the ordered state) and LN sub 2 -cooled (150 K for the disordered state) substrates. Structural analysis of the films was performed by suing transmission electron microscopy. The optical conductivity (OC) of the samples was measured at room temperature in a spectral range of 265 -2500 nm (4.7 - 0.5 eV). The resistivity measurements were carried out by using the four-probe technique in a temperature range of 4.2 - 300 K. The experimental OC spectra for the Co sub 0 sub . sub 5 sub 0 Ti sub 0 sub . sub 5 sub 0 alloys show the most significant change in the infrared region upon the order-disorder transformation. The structural disorder in the Co sub 0 sub . sub 5 sub 0 Ti sub 0 sub . sub 5 sub 0 alloy film leads to a change in the sign of the temperature coefficient of the resistivity from positive to negative. The observed...

Crystal structure of the new ternary thorium indide Th{sub 4}Pd{sub 10}In{sub 21}

Energy Technology Data Exchange (ETDEWEB)

Hlukhyy, V.; Zaremba, V.; Stepien-Damm, J.; Troc, R

2003-03-24

The structure of Th{sub 4}Pd{sub 10}In{sub 21} was refined from single crystal X-ray diffraction data. The compound crystallizes in the monoclinic system, space group C2/m, mC70; with lattice parameters a=23.024(5) A, b=4.512(1) A, c=17.224(3) A, {beta}=124.57(3) deg. The crystal structure was refined using the SHELXL-97 program (R{sub 1}=0.0477, 2561 F{sup 2} values for 108 variables). This compound adopts the Ho{sub 4}Ni{sub 10}Ga{sub 21}-type structure. The crystal chemistry and relationships of this phase to other ones are briefly discussed.

Phase structure, dielectric, and piezoelectric properties of (K{sub 0.94-x}Na{sub x}Li{sub 0.06})(Nb{sub 0.94}Sb{sub 0.06})O{sub 3} lead-free ceramics

Energy Technology Data Exchange (ETDEWEB)

Fu, Lingling; Lin, Dunmin; Zheng, Qiaoji; Wu, Xiaochun; Xu, Chenggang [College of Chemistry and Materials Science, and Visual Computing and Virtual Reality Key Laboratory of Sichuan Province, Sichuan Normal University, Chengdu 610066 (China)

2012-11-15

Lead-free piezoelectric ceramics (K{sub 0.94-x}Na{sub x}Li{sub 0.06})(Nb{sub 0.94}Sb{sub 0.06})O{sub 3} have been fabricated by a conventional ceramic technique and the effects of K{sup +}/Na{sup +} ratio on the structure and piezoelectric properties of the ceramics have been studied. All the ceramics possess a pure perovskite structure. The coexistence of tetragonal and orthorhombic phases is formed at room temperature in the ceramics with 0.45 {<=} x {<=} 0.55. The tetragonal-orthorhombic phase-transition temperature T{sub O-T} decreases from 110 to 54 C with x increasing from 0.35 to 0.55 and then increases from 84 to 144 C with x further increasing from 0.6 to 0.7, while the Curie temperature T{sub C} deceases from 388 to 348 C with x increasing from 0.35 to 0.70. Because of the coexistence of the two phases near room temperature, the ceramics with x = 0.50 exhibit the optimum piezoelectric properties: d{sub 33} = 230 pC/N and k{sub p} = 49%. The ceramics possess good time stability of piezoelectric properties. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Structure evolution upon chemical and physical pressure in (Sr{sub 1−x}Ba{sub x}){sub 2}FeSbO{sub 6}

Energy Technology Data Exchange (ETDEWEB)

Tiittanen, T.; Karppinen, M., E-mail: maarit.karppinen@aalto.fi

2017-02-15

Here we demonstrate the gradual structural transformation from the monoclinic I2/m to tetragonal I4/m, cubic Fm-3m and hexagonal P6{sub 3}/mmc structure upon the isovalent larger-for-smaller A-site cation substitution in the B-site ordered double-perovskite system (Sr{sub 1−x}Ba{sub x}){sub 2}FeSbO{sub 6}. This is the same transformation sequence previously observed up to Fm-3m upon heating the parent Sr{sub 2}FeSbO{sub 6} phase to high temperatures. High-pressure treatment, on the other hand, transforms the hexagonal P6{sub 3}/mmc structure of the other end member Ba{sub 2}FeSbO{sub 6} back to the cubic Fm-3m structure. Hence we may conclude that chemical pressure, physical pressure and decreasing temperature all work towards the same direction in the (Sr{sub 1−x}Ba{sub x}){sub 2}FeSbO{sub 6} system. Also shown is that with increasing Ba-for-Sr substitution level, i.e. with decreasing chemical pressure effect, the degree-of-order among the B-site cations, Fe and Sb, decreases. - Graphical abstract: In the (Sr{sub 1−x}Ba{sub x}){sub 2}FeSbO{sub 6} double-perovskite system the gradual structural transformation from the monoclinic I2/m to tetragonal I4/m, cubic Fm-3m and hexagonal P6{sub 3}/mmc structure is seen upon the isovalent larger-for-smaller A-site cation substitution. High-pressure treatment under 4 GPa extends stability of the cubic Fm-3m structure within a wider substitution range of x. - Highlights: • Gradual structural transitions upon A-cation substitution in (Sr{sub 1−x}Ba{sub x}){sub 2}FeSbO{sub 6.} • With increasing x structure changes from I2/m to I4/m, Fm-3m and P6{sub 3}/mmc. • Degree of B-site order decreases with increasing x and A-site cation radius. • High-pressure treatment extends cubic Fm-3m phase stability for wider x range. • High-pressure treatment affects bond lengths mostly around the A-cation.

Structural and electronic properties of Pb-doped Bi{sub 2}Sr{sub 2}Ca{sub 2}Cu{sub 3}O{sub 10}: Comparison of LDA and GGA calculations

Energy Technology Data Exchange (ETDEWEB)

Camargo-Martínez, J.A., E-mail: jcamargo@unitropico.edu.co [Grupo de Investigación en Ciencias Básicas, Aplicación e Innovación - CIBAIN, Fundación Universitaria Internacional del Trópico Americano– Unitrópico, Yopal, Casanare (Colombia); Martínez-Pieschacón, D.J. [Departamento de Ciencias Básicas, Universidad Santo Tomás, Tunja, Boyaca (Colombia); Baquero, R. [Departamento de Física, CINVESTAV-IPN, Av. IPN 2508, 07360, México (Mexico)

2017-04-15

Highlights: • We present for the first time the effects of Pb doping on structural and electronic properties of Bi{sub 2}Sr{sub 2}Ca{sub 2}Cu{sub 3}O{sub 10} (Bi2223) using GGA, compared with LDA results. • We found the Pb concentration for which the Bi–O pockets disappear from the Fermi Surface in the Bi2223 compound using GGA and LDA, respectively. - Abstract: We use Density Functional Theory to study the effects on the crystal structure and the electronic band structure of substituting Pb for Bi in Bi{sub 2}Sr{sub 2}Ca{sub 2}Cu{sub 3}O{sub 10}. We further use the Local Density Approximation (LDA) and the Generalized Gradient Approximation (GGA). The Virtual Crystal Approximation (VCA) was used to account for the substitution. We found that GGA reproduces better the lattice parameters although in both cases the internal coordinates were reproduced with some uncertainties. We further looked at the behavior of the so called Bi–O pockets, some electronic states that originate on the Bi–O planes and that appear on the Fermi surface (FS) in contradiction to the experimental evidence. We found that LDA and GGA differ on that subject. With 26% Pb and using LDA, the Bi–O pockets run away from the FS. But when GGA is used, it is needed up to 35% Pb to make the Bi–O pockets disappear from the FS. In the last case, once the Bi–O pockets are removed from the FS, we get a very good agreement with angular resolved photo-emission (ARPES) and nuclear magnetic resonance (NMR) experiments.

One-step synthesis of g-C{sub 3}N{sub 4} hierarchical porous structure nanosheets with dramatic ultraviolet light photocatalytic activity

Energy Technology Data Exchange (ETDEWEB)

Lu, Jing; Wang, Yong; Huang, Jianfeng, E-mail: huangjfsust@126.com; Cao, Liyun; Li, Jiayin; Hai, Guojuan; Bai, Zhe

2016-12-15

Highlights: • g-C{sub 3}N{sub 4} nanosheets with hierarchical porous structure were synthesized via one step. • The band gap of the nanosheets was wider and investigated in detail. • The nanosheets can degrade almost all of the RhB within 9 min. • The photocurrent of the nanosheets is 5.97 times as high as that of the P-25. - Abstract: Graphitic carbon nitride (g-C{sub 3}N{sub 4}) nanosheets with hierarchical porous structure were synthesized via one-step thermal condensation-oxidation process. The microstructure of g-C{sub 3}N{sub 4} was characterized to explain the dramatic ultraviolet light photocatalytic activity. The results showed that g-C{sub 3}N{sub 4} hierarchical aggregates were assembled by nanosheets with a length of 1–2 μm and a thickness of 20–30 nm. And the N{sub 2}-adsorption/desorption isotherms further informed the presence of fissure form mesoporous structure. An enhanced photocurrent of 37.2 μA was obtained, which is almost 5 times higher than that of P-25. Besides, the g-C{sub 3}N{sub 4} nanosheets displayed the degradation of Rhodamine B with 99.4% removal efficiency in only 9 min. Such highly photocatalytic activity could be attributed to the nano platelet morphology which improves electron transport ability along the in-plane direction. In addition, the hierarchical porous structure adapted a wider band gap of C{sub 3}N{sub 4}. Therefore, the photoinduced electron-hole pairs have a stronger oxidation-reduction potential for photocatalysis.

Structural and magnetic properties of Mg-Zn ferrites (Mg{sub 1−x}Zn{sub x}Fe{sub 2}O{sub 4}) prepared by sol-gel method

Energy Technology Data Exchange (ETDEWEB)

Reyes-Rodríguez, Pamela Yajaira, E-mail: pamela2244_4@hotmail.com [Cinvestav-Unidad Saltillo, Av. Industrial Metalúrgica #1062, Parque Industrial Saltillo-Ramos Arizpe, CP 25900, México (Mexico); Cortés-Hernández, Dora Alicia; Escobedo-Bocardo, José Concepción; Almanza-Robles, José Manuel; Sánchez-Fuentes, Héctor Javier; Jasso-Terán, Argentina; De León-Prado, Laura Elena [Cinvestav-Unidad Saltillo, Av. Industrial Metalúrgica #1062, Parque Industrial Saltillo-Ramos Arizpe, CP 25900, México (Mexico); Méndez-Nonell, Juan [Centro de Investigación en Materiales Avanzados, Ave. Miguel Cervantes #120, Complejo Industrial Chihuahua, CP 31109 Chihuahua, México (Mexico); Hurtado-López, Gilberto Francisco [Centro de Investigación en Química Aplicada, Blvd. Enrique Reyna Hermosillo #140, CP 25294 Saltillo, Coahuila, México (Mexico)

2017-04-01

In this study, the Mg{sub 1−x}Zn{sub x}Fe{sub 2}O{sub 4} nanoparticles (x=0–0.9) were prepared by sol-gel method. These ferrites exhibit an inverse spinel structure and the lattice parameter increases as the substitution of Zn{sup 2+} ions is increased. At lower Zn content (0.1≤x≤0.5), saturation magnetization (Ms) increases, while it decreases at higher Zn content (x≥6). The remnant magnetization (0.17–2.0 emu/g) and coercive field (6.0–60 Oe) indicate a ferrimagnetic behavior. The average core diameter of selected ferrites is around 15 nm and the nanoparticles morphology is quasi spherical. The heating ability of some Mg{sub 0.9}Zn{sub 0.1}Fe{sub 2}O{sub 4} and Mg{sub 0.7}Zn{sub 0.3}Fe{sub 2}O{sub 4} aqueous suspensions indicates that the magnetic nanoparticles can increase the medium temperature up to 42 °C in a time less than 10 min - Highlights: • Magnetic nanoparticles of Mg{sub 1−x}Zn{sub x}Fe{sub 2}O{sub 4} were synthesized by sol-gel method. • Nanoparticles showing a single spinel crystalline structure were obtained. • Aqueous suspensions of Mg{sub 0.7}Zn{sub 0.3}Fe{sub 2}O{sub 4} and Mg{sub 0.9}Zn{sub 0.1}Fe{sub 2}O{sub 4} show heating ability.

AgLnSb/sub 2/O/sub 7/ compounds with weberite structure

Energy Technology Data Exchange (ETDEWEB)

Lopatin, S S; Aver' yanova, L N; Belyaev, I N; Zvyagintsev, B I; Dyatlov, Eh V [Rostovskij-na-Donu Gosudarstvennyj Univ. (USSR)

1982-11-01

The interaction between AgSbO/sub 3/ and LnSbO/sub 4/ in the solid phase at 1100-1150 deg C has been investigated. AgLnSb/sub 2/O/sub 7/ compounds with weberite crystal structure are formed in Ln=La, Pr, Nd, Sm cases but in Ln=Eu, Cd, Dy, Er cases the formation of termary oxides of the indicated composition has not been observed. Inasmuch as compounds of the general formula A/sub 2/B/sub 2/O/sub 7/ with average cation radii Rsub(B) >0.60 A and 1.65 <= Rsub(A)/Rsub(B) <= 2.20 can crystallize in weberite, pyrochlore and laminated perovskite-like structurer, conditions of the existence of the above mentioned structures depending on A and B dimensions and electronegativity are discussed.

Picosecond trigger system useful in mode-locked laser pulse measurements

International Nuclear Information System (INIS)

Cunin, B.; Miehe, J.A.; Sipp, B.; Thebault, J.

1976-01-01

A highly sensitive tunnel diode trigger useful in temporal intensity build-up measurements of mode-locked lasers has been developed; the device reduces notably the time walk due to the lack of repeatability in intensity of the laser output. The performance of the trigger have been established by means of a GHz wideband-0.1V/cm sensitive real-time oscilloscope and of an image converter camera having a picosecond resolution: the experimental results show that a variation of the amplitude of the laser pulse train of a factor 5 leads to a time jitter of less than 30 ps (Auth.)

Reactivity, structure and physical properties of SrCo{sub 2.5+{delta}} and La{sub 2}CoO{sub 4.0+{delta}}. In situ X-ray diffraction and neutrons study; Reactivite, structure et proprietes physiques de SrCoO{sub 2.5+{delta}} et La{sub 2}CoO{sub 4.0+{delta}}. Etude par diffraction des rayons X et des neutrons in situ

Energy Technology Data Exchange (ETDEWEB)

Le Toquin, R.

2003-11-15

This work was devoted to the study of the reactivity and more specifically the influence of the intercalated oxygen amount {delta} on the structure and physical properties of SrCoO{sub 2.5+{delta}} et La{sub 2}CoO{sub 4.0+{delta}} We controlled the oxidation level by means of reversible electrochemical red ox reaction at room temperature. Structural modifications, especially disorder, and electronic properties were studied for the first time on large orientated single crystal. In the SrCoO{sub 2.5+{delta}} system, after structural and electronic characterisation of the end phases, we studied the real structure of the brownmillerite SrCoO{sub 2.5} phase using single crystal. Moreover, we investigated structural and magnetic evolution upon red ox cycle using X-ray diffraction on 6 times twinned single crystal and in situ neutron powder diffraction. Two intermediate SrCoO{sub 2.75} and SrCoO{sub 2.82} phases have been observed. The reaction on single crystal has evidenced the evolution of domain structure. For the La{sub 2}CoO{sub 4+{delta}} system, we synthesised a large variety of single crystal with stoichiometry {delta} 0.0, 0.09, 0.12, 0.16, 0.20 and 0.25. Using single crystal X-ray and neutron diffraction, we showed a disorder-order transition of the apical and interstitial oxygen for the higher {delta} values. (author)

Structure and dielectric properties of (Ba{sub 0.7}Sr{sub 0.3}){sub 1-x}Na{sub x}(Ti{sub 0.9}Sn{sub 0.1}){sub 1-x}Nb{sub x}O{sub 3} ceramics

Energy Technology Data Exchange (ETDEWEB)

Ghoudi, Hanen; Khirouni, Kamel [Universite de Gabes, Laboratoire de Physique des Materiaux et des Nanomateriaux Appliquee a l' Environnement (La Phy MNE), Faculte des Sciences de Gabes, Gabes (Tunisia); Chkoundali, Souad [Universite de Sfax, Laboratoire des Materiaux Multifonctionnels et Applications (LaMMA), Faculte des Sciences de Sfax (FSS), Sfax (Tunisia); Aydi, Abdelhedi [Universite de Gabes, Laboratoire de Physique des Materiaux et des Nanomateriaux Appliquee a l' Environnement (La Phy MNE), Faculte des Sciences de Gabes, Gabes (Tunisia); Universite de Sfax, Laboratoire des Materiaux Multifonctionnels et Applications (LaMMA), Faculte des Sciences de Sfax (FSS), Sfax (Tunisia)

2017-11-15

(Ba{sub 0.7}Sr{sub 0.3}){sub 1-x}Na{sub x}(Ti{sub 0.9}Sn{sub 0.1}){sub 1-x}Nb{sub x}O{sub 3} ceramics with compositions x = 0.6, 0.7, 0.8 and 0.9 were synthesized using the solid-state reaction method. These ceramics were examined by X-ray diffraction and dielectric measurements over a broad temperature and frequency ranges. X-ray diffraction patterns revealed a single-perovskite phase crystallized in a cubic structure, for x < 0.8, and in tetragonal, for x ≥ 0.8, with Pm3m and P4mm spaces groups, respectively. Two types of behaviors, classical ferroelectric or relaxor, were observed depending on the x composition. It is noted that temperatures T{sub C} (the Curie temperature) or T{sub m} (the temperature of maximum permittivity) rise when x increases and the relaxor character grows more significantly when x composition decreases. To analyze the dielectric relaxation degree of relaxor, various models were considered. It was proven that an exponential function could well describe the temperature dependence of the static dielectric constant and relaxation time. (orig.)

Structural order parameter in the pyrochlore superconductor Cd sub 2 Re sub 2 O sub 7

CERN Document Server

Sergienko, I A

2003-01-01

It is shown that both structural phase transitions in Cd sub 2 Re sub 2 O sub 7 , which occur at T sub s sub 1 = 200 K and T sub s sub 2 = 120 K, are due to an instability of the Re tetrahedral network with respect to the same doubly degenerate long-wavelength phonon mode. The primary structural order parameter transforms according to the irreducible representation E sub u of the point group O sub h. We argue that the transition at T sub s sub 1 may be of the second order, in accordance with experimental data. We obtain the phase diagram in the space of phenomenological parameters and propose a thermodynamic path that Cd sub 2 Re sub 2 O sub 7 follows upon cooling. Coupling of the itinerant electronic system and localized spin states in pyrochlores and spinels to atomic displacements are discussed. (author)

Structural stability and oxygen permeability of BaCo{sub 1−x}Nb{sub x}O{sub 3−δ} ceramic membranes for air separation

Energy Technology Data Exchange (ETDEWEB)

Wu, Chengzhang, E-mail: wucz@shu.edu.cn [Shanghai Key Laboratory of Modern Metallurgy and Materials Processing, Shanghai University, Shanghai 200072 (China); Gai, Yongqian; Zhou, Jianfang; Tang, Xia; Zhang, Yunwen; Ding, Weizhong [Shanghai Key Laboratory of Modern Metallurgy and Materials Processing, Shanghai University, Shanghai 200072 (China); Sun, Chenghua [School of Chemistry, Monash University, Clayton, VIC 3800 (Australia)

2015-07-25

Highlights: • BCNx membranes with high oxygen permeation flux were prepared. • Oxygen permeability of BCNx membranes is stable at 900 °C. • Phase transition is governed by oxygen partial pressure and temperature. • Degradation mechanism of BCNx membrane is suggested. - Abstract: BaCo{sub 1−x}Nb{sub x}O{sub 3−δ} (BCNx, x = 0.1–0.2) membranes were synthesized through conventional solid-phase reactions. The introduction of niobium facilitates the formation of the cubic perovskite structure and decreases oxygen nonstoichiometry. BCNx membranes possess higher oxygen permeation flux compared with BaCo{sub 0.7}Fe{sub 0.2}Nb{sub 0.1}O{sub 3−δ} membrane at the same condition. A stable permeation flux as high as 2.61 ml cm{sup −2} min{sup −1} is obtained through BaCo{sub 0.9}Nb{sub 0.1}O{sub 3−δ} membrane at 900 °C under the Air/He gradient. Long-time permeation study shows that the oxygen fluxes of BCNx membranes are stable at 900 °C but degrade slowly with time at 850 °C. XRD and TG–DSC results indicate that the degradation behavior occured at 850 °C is due to the phase transition from the cubic perovskite to monoclinic or orthorhombic structure, which is governed by the oxygen partial pressure and temperature. The oxidation of cobalt ion is considered to be the nature for the phase transition, which makes the tolerance factor increasing and results in structural destabilization.

Second International Conference on 'Transient Chemical Structures in Dense Media' - TCSDM 2010. Book of Abstracts

International Nuclear Information System (INIS)

2010-01-01

A number of experimental techniques now exist that allow for the direct observation of temporally varying molecular geometries that occur during a chemical reaction. The most commonly used method is femtosecond laser spectroscopy. Another technique is picosecond pulse radiolysis, employing accelerator generated electron beams. Finally, highly promising new opportunities are provided by time-resolved X-ray diffraction/absorption: the pulses having duration of a few tens of picoseconds are generated by large synchrotron X-ray sources. Similar opportunities are being realized with the recent implementation of sub-picosecond electron diffraction. The recent advances in X-ray sources (SLAC and XFEL) enable the use of sub-picosecond pulse that will push forward our understanding of a chemical reaction. The use of those experimental techniques will certainly be fruitful in the fields of basic energy sciences and biochemistry. The conference will highlight such applications. Theoretical analysis of experimental data is based on statistical mechanics of nonlinear optical processes. Methods of molecular dynamics simulation, both classical and quantum mechanical, are also required. These methods have penetrated unequally in the three disciplines just mentioned: widely present in laser spectroscopy, they are less extensively used in pulsed radiolysis and in time resolved X-ray spectroscopy. We are currently at the edge of a new revolution in computing sciences that will enable the simulation of large quantum mechanical systems in dense media. Topics of the conference: - Femtosecond laser spectroscopy: Multidimensional spectroscopy, Raman spectroscopy, femto-chemistry in dense media and at interface. - Picosecond pulsed radiolysis: Time-resolved detection techniques, space distribution of absorbed energy, electron and proton transfer processes, micro-heterogeneous and polymeric systems. - New laser based sources for particle acceleration and X-ray experiments. - Ultrafast X

Nano/micro Sr{sub 2}Bi{sub 4}Ti{sub 5}O{sub 18} crystallites: Size dependent structural, second harmonic and piezoelectric properties

Energy Technology Data Exchange (ETDEWEB)

Tukaram, Shet; Bhimireddi, Rajasekhar; Varma, K.B.R., E-mail: kbrvarma@mrc.iisc.ernet.in

2016-09-15

Graphical abstract: Synthesis of Sr{sub 2}Bi{sub 4}Ti{sub 5}O{sub 18} nano/micro crystallites and their size dependent non-linear optical and piezoelectric responses. - Highlights: • Nano/microcrystallites of Sr{sub 2}Bi{sub 4}Ti{sub 5}O{sub 18} were synthesized via sol-gel route. • Crystallite size dependent structural and physical properties were studied. • SHG intensity (1.4 times that of KDP powder) from these crystallites was recorded. • PFM studies on isolated crystallite of 480 nm exhibited d{sub 33} as high as 27 pm/V. • Single domain nature of the crystallites below 160 nm was observed. - Abstract: Strontium bismuth titanate (Sr{sub 2}Bi{sub 4}Ti{sub 5}O{sub 18}) powders comprising crystallites of average sizes in the range of 94–1400 nm were prepared via citrate-assisted sol-gel route. With an increase in the average crystallite size there was a change in the lattice parameters and shift in the Raman vibration modes. Second harmonic signal (532 nm) intensity of the Sr{sub 2}Bi{sub 4}Ti{sub 5}O{sub 18} powders increased with the increase in the average crystallite size and the maximum intensity obtained in the reflection mode was 1.4 times as high as that of the powdered KH{sub 2}PO{sub 4}. Piezo Force Microscopic analyses carried out on isolated crystallite of size 74 nm, established a single domain nature with the coercive field as high as 347 kV/cm. There was a systematic increase in the d{sub 33} value with an increase in the size of the isolated crystallites and a high piezoelectric coefficient of ∼27 pm/V was obtained from an isolated crystallite of size 480 nm.

The use of lasers for studying ultrahigh speed phenomena (picoseconds): equipement of a picosecond spectroscopy laboratory using synchronized mode lasers

International Nuclear Information System (INIS)

Goujon, P.; Pochon, E.; Clerc, M.

1975-01-01

The spectroscopy laboratory is equipped with a dye laser and a neodymium glass laser. Detection is one case is made by means of a streak picosecond camera capable of a 5 ps time interval. A second detection method uses a CS 2 Kerr cell switch based on the Duguay principle. The first qualitative results concerning the fluorescence of DODCI and chlorophyll in vivo as well as the bleaching and recovering of the absorption of the electron solvated in liquid ammonia, have shown that this equipment could effectively enable the observation of physical-chemical processes as brief as 5 ps [fr

Picosecond multiphoton ionization of atomic and molecular clusters

International Nuclear Information System (INIS)

Miller, J.C.; Smith, D.B.

1990-01-01

High peak-power picosecond laser pulses have been used for the first time to effect nonresonant or resonant multiphoton ionization (MPI) of clusters generated in a supersonic nozzle expansion. The resulting ions are subsequently detected and characterized by time-of-flight mass spectroscopy. Specifically, we present results involving MPI of clusters of xenon and nitric oxide. Previous MPI studies of many molecular clusters using nanosecond lasers have not been successful in observing the parent ion, presumably due to fast dissociation channels. It is proposed that the present technique is a new and rather general ionization source for cluster studies which is complementary to electron impact but may, in addition, provide unique spectroscopic or dynamical information. 23 refs., 5 figs

High-pressure synthesis and crystal structure of In{sub 3}B{sub 5}O{sub 12}

Energy Technology Data Exchange (ETDEWEB)

Vitzthum, Daniela; Schauperl, Michael; Liedl, Klaus R.; Huppertz, Hubert [Univ. Innsbruck (Austria). Inst. fuer Allgemeine, Anorganische und Theoretische Chemie

2017-03-01

Orthorhombic In{sub 3}B{sub 5}O{sub 12} was synthesized in a Walker-type multianvil apparatus under high-pressure/high-temperature conditions of 12.2 GPa and 1500 C. Its structure is isotypic to the rare earth analogs RE{sub 3}B{sub 5}O{sub 12} (RE=Sc, Er-Lu). In the field of indium borate chemistry, In{sub 3}B{sub 5}O{sub 12} is the third known ternary indium borate besides InBO{sub 3} and InB{sub 5}O{sub 9}. The crystal structure of In{sub 3}B{sub 5}O{sub 12} has been determined via single-crystal X-ray diffraction data collected at room temperature. It crystallizes in the orthorhombic space group Pmna with the lattice parameters a=12.570(2), b=4.5141(4), c=12.397(2) Aa, and V=703.4(2) Aa{sup 3}. IR and Raman bands of In{sub 3}B{sub 5}O{sub 12} were theoretically determined and assigned to experimentally recorded spectra.

Electronic structure of layered ferroelectric high-k titanate Pr{sub 2}Ti{sub 2}O{sub 7}

Energy Technology Data Exchange (ETDEWEB)

Atuchin, V.V., E-mail: atuchin@thermo.isp.nsc.ru [Laboratory of Optical Materials and Structures, Institute of Semiconductor Physics, SB RAS, Novosibirsk 90, 630090 (Russian Federation); Gavrilova, T.A. [Laboratory of Nanodiagnostics and Nanolithography, Institute of Semiconductor Physics, SB RAS, Novosibirsk 90, 630090 (Russian Federation); Grivel, J.-C. [Materials Research Division, National Laboratory for Sustainable Energy, Technical University of Denmark, Frederiksborgvej 399, DK-4000, Roskilde (Denmark); Kesler, V.G. [Laboratory of Physical Bases of Integrated Microelectronics, Institute of Semiconductor Physics, SB RAS, Novosibirsk 90, 630090 (Russian Federation); Troitskaia, I.B. [Laboratory of Optical Materials and Structures, Institute of Semiconductor Physics, SB RAS, Novosibirsk 90, 630090 (Russian Federation)

2012-11-15

The spectroscopic parameters and electronic structure of binary titanate Pr{sub 2}Ti{sub 2}O{sub 7} have been studied by IR-, Raman and X-ray photoelectron spectroscopy (XPS) for the powder sample prepared by solid state synthesis. The spectral features of valence band and all constituent element core levels have been considered. The Auger parameters of titanium and oxygen in Pr{sub 2}Ti{sub 2}O{sub 7} have been determined as {alpha}{sub Ti}=872.8 and {alpha}{sub O}=1042.3 eV. Variations of cation-anion bond ionicity have been discussed using binding energy differences {Delta}{sub Ti}=(BE O 1s-BE Ti 2p{sub 3/2})=71.6 eV and {Delta}{sub Pr}=BE(Pr 3d{sub 5/2})-BE(O 1s)=403.8 eV as key parameters in comparison with those of other titanium- and praseodymium-bearing oxides. Highlights: Black-Right-Pointing-Pointer Solid state synthesis of polar titanate Pr{sub 2}Ti{sub 2}O{sub 7}. Black-Right-Pointing-Pointer Structural and spectroscopic properties and electronic structure determination. Black-Right-Pointing-Pointer Ti-O and Pr-O bonding analysis using Ti 2p{sub 3/2}, Pr 3d{sub 5/2} and O 1s core levels.

Structure-dependent performance of TiO<sub>2sub>/C as anode material for Na-ion batteries

Energy Technology Data Exchange (ETDEWEB)

He, Hanna; Gan, Qingmeng; Wang, Haiyan; Xu, Gui-Liang; Zhang, Xiaoyi; Huang, Dan; Fu, Fang; Tang, Yougen; Amine, Khalil; Shao, Minhua

2018-02-01

The performance of energy storage materials is highly dependent on their nanostructures. Herein, hierarchical rod-in-tube TiO<sub>2sub> with a uniform carbon coating is synthesized as the anode material for sodium-ion batteries by a facile solvothermal method. This unique structure consists of a tunable nanorod core, interstitial hollow spaces, and a functional nanotube shell assembled from two-dimensional nanosheets. By adjusting the types of solvents used and reaction time, the morphologies of TiO<sub>2sub>/C composites can be tuned to nanoparticles, microrods, rod-in-tube structures, or microtubes. Among these materials, rod-in-tube TiO<sub>2sub> with a uniform carbon coating shows the highest electronic conductivity, specific surface area (336.4 m(2) g(-1)), and porosity, and these factors lead to the best sodium storage capability. Benefiting from the unique structural features and improved electronic/ionic conductivity, the as-obtained rod-in-tube TiO2/C in coin cell tests exhibits a high discharge capacity of 277.5 and 153.9 mAh g(-1) at 50 and 5000 mA g(-1), respectively, and almost 100% capacity retention over 14,000 cycles at 5000 mA g(-1). In operando high-energy X-ray diffraction further confirms the stable crystal structure of the rod-in-tube TiO<sub>2sub>/C during Na+ insertion/extraction. This work highlights that nanostructure design is an effective strategy to achieve advanced energy storage materials.

Study of structural and morphological properties of thermally evaporated Sn{sub 2}Sb{sub 6}S{sub 11} thin films

Energy Technology Data Exchange (ETDEWEB)

Ben Mehrez, N., E-mail: najia.benmehrez@gmail.com [Université Tunis El Manar, Laboratoire de Photovoltaïque et Matériaux Semi-conducteurs, ENIT, BP 37, Le belvédère, 1002 Tunis (Tunisia); Khemiri, N. [Université Tunis El Manar, Laboratoire de Photovoltaïque et Matériaux Semi-conducteurs, ENIT, BP 37, Le belvédère, 1002 Tunis (Tunisia); Kanzari, M. [Université Tunis El Manar, Laboratoire de Photovoltaïque et Matériaux Semi-conducteurs, ENIT, BP 37, Le belvédère, 1002 Tunis (Tunisia); Institut Préparatoire aux Etudes d’Ingénieurs de Tunis Montfleury, Université de Tunis (Tunisia)

2016-10-01

In this study, we report the structural and morphological properties of the new material Sn{sub 2}Sb{sub 6}S{sub 11} thin films prepared on glass substrates by vacuum thermal evaporation at various substrate temperatures (30, 60, 100, 140, 180 and 200 °C). Sn{sub 2}Sb{sub 6}S{sub 11} ingot was synthesized by the horizontal Bridgman technique. The structural properties of Sn{sub 2}Sb{sub 6}S{sub 11} powder were studied by X-ray diffraction (XRD), transmission electron microscopy (TEM) and Raman spectroscopy. The films were characterized for their structural properties by using XRD. All films were polycrystalline in nature. The variations of the structural parameters of the films with the substrate temperature were investigated. The results show that the crystallite sizes increase as the substrate temperature increases. The morphological properties of the films were analyzed by atomic force microscopy (AFM). The roughness and the topography of the surface of the films strongly depend on the substrate temperature. - Highlights: • Sn{sub 2}Sb{sub 6}S{sub 11} powder was successfully synthesized by the horizontal Bridgman technique. • Sn{sub 2}Sb{sub 6}S{sub 11} films were grown by thermal evaporation at different substrate temperatures. • Structural properties of Sn{sub 2}Sb{sub 6}S{sub 11} powder were investigated. • The effect of the substrate temperature on structural and morphological of Sn{sub 2}Sb{sub 6}S{sub 11} films properties was studied.

Sub-structure

CSIR Research Space (South Africa)

Van Wyk, Llewellyn V

2010-04-01

Full Text Available in Conventional Sub-structure Element Concrete Volume (m 3 ) kgCO2/m 3 (see footnote) Total CO2 (kg) Foundations 1 3.69 209 2 771 Foundation walls 3 1.79 174 4 311 Concrete slab 5 4.09 250 6 1022 Total 9.57 2104 Raft foundations...

Synthesis, crystal structure and properties of a new lead fluoride borate, Pb{sub 3}OBO{sub 3}F

Energy Technology Data Exchange (ETDEWEB)

Zhao, Wenwu [Xinjiang Key Laboratory of Electronic Information Materials and Devices, Xinjiang Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, 40-1 South Beijing Road, Urumqi 830011 (China); Graduate School of the Chinese Academy of Sciences, Beijing 100049 (China); Pan, Shilie, E-mail: slpan@ms.xjb.ac.cn [Xinjiang Key Laboratory of Electronic Information Materials and Devices, Xinjiang Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, 40-1 South Beijing Road, Urumqi 830011 (China); Dong, Xiaoyu [Xinjiang Key Laboratory of Electronic Information Materials and Devices, Xinjiang Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, 40-1 South Beijing Road, Urumqi 830011 (China); Graduate School of the Chinese Academy of Sciences, Beijing 100049 (China); Li, Junjie; Tian, Xuelin; Fan, Xiaoyun [Xinjiang Key Laboratory of Electronic Information Materials and Devices, Xinjiang Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, 40-1 South Beijing Road, Urumqi 830011 (China); Chen, Zhaohui [Xinjiang Key Laboratory of Electronic Information Materials and Devices, Xinjiang Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, 40-1 South Beijing Road, Urumqi 830011 (China); Physical and Chemical Detecting Center, Xinjiang University, Urumqi 830046 (China); Zhang, Fangfang [Xinjiang Key Laboratory of Electronic Information Materials and Devices, Xinjiang Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, 40-1 South Beijing Road, Urumqi 830011 (China)

2012-04-15

Graphical abstract: The structure of Pb{sub 3}OBO{sub 3}F consists of two distortional Pb-centered tetrahedra and BO{sub 3} triangles which are all symmetrical with each other respectively in the gestalt structure to the extent that the Pb{sub 3}OBO{sub 3}F compound crystallizes in the symmetrical space group. Highlights: Black-Right-Pointing-Pointer Pb{sub 3}OBO{sub 3}F has been grown from PbO-PbF{sub 2}-B{sub 2}O{sub 3} system for the first time. Black-Right-Pointing-Pointer It crystallizes in the orthorhombic system, space group Pbcm. Black-Right-Pointing-Pointer Pb{sub 3}OBO{sub 3}F consists of Pb(1)O{sub 3}F tetrahedra, Pb(2)O{sub 4} tetrahedra and BO{sub 3} triangles. -- Abstract: A new compound, Pb{sub 3}OBO{sub 3}F, has been grown by the high temperature solution method from the PbO-PbF{sub 2}-B{sub 2}O{sub 3} system. It crystallizes in the orthorhombic system, space group Pbcm with unit-cell parameters a = 7.6313(14) Angstrom-Sign , b = 6.5229(12) Angstrom-Sign , c = 11.906(2) Angstrom-Sign , Z = 4, volume = 592.66(19) Angstrom-Sign {sup 3}. The structure of the compound is solved by the direct methods and refined to R{sub 1} = 0.0528 and wR{sub 2} = 0.1400. Pb{sub 3}OBO{sub 3}F consists of Pb(1)O{sub 3}F tetrahedra, Pb(2)O{sub 4} tetrahedra and BO{sub 3} triangles which build up the symmetrical chains extended along the c-axis. The powder X-ray diffraction pattern of the Pb{sub 3}OBO{sub 3}F has been measured. Functional groups presented in the sample were identified by Fourier transform infrared spectrum.

Radiation chemistry and advanced polymer materials studied by picosecond pulse radiolysis combined with femtosecond laser

International Nuclear Information System (INIS)

Tagawa, S.; Yoshida, Y.; Miki, M.; Yamamoto, T.; Ushida, K.; Izumi, Y.

1996-01-01

We have synchronized a single picosecond MeV electron pulse from L-band linear accelerator (linac) of The Institute of Scientific and Industrial Research of Osaka University to a single femtosecond laser pulse of Ti:Sapphire laser. It is an essential technique for the future femtosecond pulse radiolysis and is also applied to many kinds of combined application of more than two different beams from accelerators in very short time range. Radiation chemistry and new type of polymers have been studied by LL (laser-linac) twin picosecond pulse radiolysis. Especially the early events in radiation chemistry such as geminate recombination processes of electrons and radical cations are have been studied in both liquids and solids. (author)

Interface properties of bilayer structure Alq{sub 3}/Fe{sub 65}Co{sub 35}

Energy Technology Data Exchange (ETDEWEB)

Wang, Zhen, E-mail: wangzhen@chd.edu.cn [Department of Applied Physics, Chang’an University, Xi’an 710064 (China); Xu, Chunlong; Wang, Jinguo; Chang, Qiaoli [Department of Applied Physics, Chang’an University, Xi’an 710064 (China); Zuo, Yalu; Xi, Li [Key Laboratory for Magnetism and Magnetic Materials of Ministry of Education, Lanzhou University, Lanzhou 730000 (China)

2015-04-01

Highlights: • Bilayer structure of Alq{sub 3}/FeCo was fabricated in a dual ultra high vacuum chamber. • Organic layer reacts partially with the FeCo film. • Electronic injection barrier is 0.76 eV in the interface. • The induced uniaxial anisotropy appears in Alq{sub 3}/FeCo. - Abstract: The interface between the organic and magnetic electrodes is a fundamental problem in organic spintronics devices. Therefore, bilayer structure of Alq{sub 3}/FeCo was fabricated in a dual ultra high vacuum chamber. The electronic structure of Alq{sub 3}–FeCo interface has been studied by X-ray photoelectron spectroscopy and ultraviolet photoelectron spectroscopy with Argon ion etching technique. It was found that organic layer reacts partially with the FeCo film, forming complex binding of metallic carbide and/or oxidation state in the interfacial region. Electronic injection barrier is 0.76 eV in the interface. The structural variation of the contact region is proposed to be one of the possible factors resulting in spin-injection failure. The magnetic properties of FeCo film with different thicknesses on glass substrate and Alq{sub 3} layer are also investigated. The induced uniaxial anisotropy only presents in 3 nm FeCo thickness for glass/FeCo, while it appears in 3–5 nm FeCo for Alq{sub 3}/FeCo.

Electron beam-induced structural transformations of MoO{sub 3} and MoO{sub 3-x} crystalline nanostructures

Energy Technology Data Exchange (ETDEWEB)

Diaz-Droguett, D. E., E-mail: dodiaz@fis.puc.cl [Pontificia Universidad Catolica de Chile, Departamento de Fisica, Facultad de Fisica (Chile); Zuniga, A. [Universidad de Chile, Departamento de Ingenieria Mecanica, Facultad de Ciencias Fisicas y Matematicas (Chile); Solorzano, G. [PUC-RIO, Departamento de Ciencia dos Materiais e Metalurgia, DCMM (Brazil); Fuenzalida, V. M. [Universidad de Chile, Departamento de Fisica, Facultad de Ciencias Fisicas y Matematicas (Chile)

2012-01-15

Electron beam-induced damage and structural changes in MoO{sub 3} and MoO{sub 3-x} single crystalline nanostructures were revealed by in situ transmission electron microscopy (TEM) examination (at 200 kV) after few minutes of concentrating the electron beam onto small areas (diameters between 25 and 200 nm) of the samples. The damage was evaluated recording TEM images, while the structural changes were revealed acquiring selected area electron diffraction patterns and high resolution transmission electron microscopy (HRTEM) images after different irradiation times. The as-received nanostructures of orthorhombic MoO{sub 3} were transformed to a Magneli's phase of the oxide ({gamma}-Mo{sub 4}O{sub 11}) after {approx}10 min of electron beam irradiation. The oxygen loss from the oxide promoted structural changes. HRTEM observations showed that, in the first stage of the reduction, oxygen vacancies generated by the electron beam are accommodated by forming crystallographic shear planes. At a later stage of the reduction process, a polycrystalline structure was developed with highly oxygen-deficient grains. The structural changes can be attributed to the local heating of the irradiated zone combined with radiolysis.

Mercury vacancies as divalent acceptors in Hg{sub y}Te{sub 1} {sub –} {sub y}/Cd{sub x}Hg{sub 1} {sub –} {sub x}Te structures with quantum wells

Energy Technology Data Exchange (ETDEWEB)

Kozlov, D. V., E-mail: dvkoz@ipmras.ru; Rumyantsev, V. V.; Morozov, S. V.; Kadykov, A. M.; Fadeev, M. A. [Russian Academy of Sciences, Institute for Physics of Microstructures (Russian Federation); Varavin, V. S.; Mikhailov, N. N.; Dvoretsky, S. A. [Russian Academy of Sciences, Rzhanov Institute of Semiconductor Physics, Siberian Branch (Russian Federation); Gavrilenko, V. I. [Russian Academy of Sciences, Institute for Physics of Microstructures (Russian Federation); Teppe, F. [Laboratoire Charles Coulomb (L2C) (France)

2016-12-15

A long-wavelength band caused by transitions between states related to the valence band is detected in the photoconductivity spectra of Hg{sub y}Te{sub 1–y}/Cd{sub x}Hg{sub 1–x}Te (CMT) structures with quantum wells. The energy states of mercury vacancies in quantum wells of CMT structures is calculated taking into account a chemical shift. It is shown that the long-wavelength band observed in the photoconductivity spectra of these structures is associated with the ionization of divalent acceptor centers which are such vacancies.

Synthesis and structure of bis[(2E)-3-(2-furyl)prop-2-enoato]triphenylantimony Ph{sub 3}Sb[O{sub 2}CCH=CH(C{sub 4}H{sub 3}O)]{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Kalistratova, O. S., E-mail: Olga.Kalistratova@yandex.ru; Andreev, P. V.; Gushchin, A. V.; Somov, N. V.; Chuprunov, E. V. [Lobachevsky State University of Nizhny Novgorod (Russian Federation)

2016-05-15

Bis[(2E)-3-(2-furyl)prop-2-enoato]triphenylantimony Ph{sub 3}Sb[O{sub 2}CCH=CH(C{sub 4}H{sub 3}O)]{sub 2} is obtained for the first time by the reaction of triphenylantimony, hydrogen peroxide, and 2-furylpropene acid. The X-ray diffraction data show that the central atom of antimony is coordinated in the shape of a distorted trigonal bipyramid. The base of the bipyramid is formed by carbon atoms of phenyl ligands, and the apical vertices are occupied by acid residues. The IR and NMR spectra agree with the composition and structure of the compound.

Effect of Mg substitution on crystal structure and hydrogenation of Ce{sub 2}Ni{sub 7}-type Pr{sub 2}Ni{sub 7}

Energy Technology Data Exchange (ETDEWEB)

Iwase, Kenji, E-mail: fbiwase@mx.ibaraki.ac.jp [Department of Materials Science and Engineering, Ibaraki University, 4-12-1 Nakanarusawa, Hitachi 316-8511 (Japan); Mori, Kazuhiro [Research Reactor Institute, Kyoto University, 2-1010 Asashiro-nishi, Kumatori, Sennan, Osaka 590-0494 (Japan); Terashita, Naoyoshi [Japan Metals & Chemicals Co., Ltd., Nishiokitama-gun, Yamagata 999-1351 (Japan); Tashiro, Suguru; Suzuki, Tetsuya [Department of Materials Science and Engineering, Ibaraki University, 4-12-1 Nakanarusawa, Hitachi 316-8511 (Japan)

2017-03-15

The effect of Pr being substituted by Mg in Pr{sub 2}Ni{sub 7} with a Ce{sub 2}Ni{sub 7}-type structure was investigated by X-ray diffraction (XRD) and pressure−composition (P−C) isotherm measurements. The maximum hydrogen capacity of Pr{sub 2}Ni{sub 7} reached 1.24 H/M in the first absorption process. However, 0.61 H/M hydrogen remained in the sample after the first desorption and the reversible hydrogen capacity decreased to 0.63 H/M. Severe peak broadening was observed in the XRD profile of Pr{sub 2}Ni{sub 7}H{sub 5.4} after the first P−C isotherm cycle. The metal sublattice of Pr{sub 2}Ni{sub 7}H{sub 5.4} is deformed and changes from the Ce{sub 2}Ni{sub 7}-type structure to a lower symmetry during hydrogenation, with no detection of an amorphous phase. Pr{sub 1.5}Mg{sub 0.5}Ni{sub 7} consists of two phases: 80% Gd{sub 2}Co{sub 7}-type and 20% PuNi{sub 3}-type phases. Mg substitution leads to the relative stability of the Gd{sub 2}Co{sub 7}-type and PuNi{sub 3}-type structures. The Gd{sub 2}Co{sub 7}-type and PuNi{sub 3}-type structures are retained after the P-C isotherm. The reversible hydrogen capacity reached 1.05 H/M. The structural change during the hydrogen absorption−desorption cycle and the hydrogenation characteristics are changed by Mg atoms replacing Pr in the MgZn{sub 2}-type cell. - Graphical abstract: The maximum hydrogen capacity is 1.2 H/M in the first absorption process and the reversible capacity is 0.63 H/M.

Electronic structure of LaFe{sub 2}X{sub 2} (X = Si,Ge)

Energy Technology Data Exchange (ETDEWEB)

Hase, I., E-mail: i.hase@aist.go.jp [Electronics and Photonics Research Institute, AIST, Tsukuba, Ibaraki 305-8568 (Japan); Yanagisawa, T. [Electronics and Photonics Research Institute, AIST, Tsukuba, Ibaraki 305-8568 (Japan)

2011-11-15

We have calculated the electronic structure of LaFe{sub 2}Si{sub 2} and LaFe{sub 2}Ge{sub 2} from first-principles. The obtained Fermi surfaces of LaFe{sub 2}Si{sub 2} and LaFe{sub 2}Ge{sub 2} resemble those of LaRu{sub 2}Ge{sub 2}, which well explains the result of the dHvA experiments of CeRu{sub 2}Ge{sub 2}. Their density of states curves show the common feature with CaFe{sub 2}As{sub 2}. D(E{sub F}) strongly depends on the distortion of the FeX{sub 4} tetrahedra and/or the height of the X atom, as also found in iron-pnictide system. Recently found iron-pnictide superconductor (Ba,K)Fe{sub 2}As{sub 2} and the heavy-fermion superconductor CeCu{sub 2}Si{sub 2} both have the same crystal structure. In this paper we have calculated the electronic structure of LaFe{sub 2}Si{sub 2} and LaFe{sub 2}Ge{sub 2} from first-principles. These compounds also have the same crystal structure and closely related to both of (Ba,K)Fe{sub 2}As{sub 2} and CeRu{sub 2}Ge{sub 2}. The obtained Fermi surfaces of LaFe{sub 2}Si{sub 2} and LaFe{sub 2}Ge{sub 2} resemble those of LaRu{sub 2}Ge{sub 2}, which are already found that they well explain the results of the dHvA experiments of CeRu{sub 2}Ge{sub 2}. Their density of states curves show the common feature with CaFe{sub 2}As{sub 2}. The density of states at the Fermi level strongly depends on the distortion of the FeX{sub 4} tetrahedra and/or the height of the X atom from the two-dimensional Fe plane, as also found in iron-pnictide system. The electronic specific heat coefficient is 11.8 mJ/mol K{sup 2} for LaFe{sub 2}Si{sub 2} and 12.5 mJ/mol K{sup 2} for LaFe{sub 2}Ge{sub 2}, which is about 1/3 and 1/2 of experimental results, respectively.

Terahertz Induced Electromigration

DEFF Research Database (Denmark)

Strikwerda, Andrew; Zalkovskij, Maksim; Iwaszczuk, Krzysztof

2014-01-01

We report the first observation of THz-field-induced electromigration in subwavelength metallic gap structures after exposure to intense single-cycle, sub-picosecond electric field transients of amplitude up to 400 kV/cm.......We report the first observation of THz-field-induced electromigration in subwavelength metallic gap structures after exposure to intense single-cycle, sub-picosecond electric field transients of amplitude up to 400 kV/cm....

Crystal structure of a novel cerium indide Ce{sub 6}Pt{sub 11}In{sub 14}

Energy Technology Data Exchange (ETDEWEB)

Stepien-Damm, J.; Bukowski, Z.; Zaremba, V.I.; Pikul, A.P.; Kaczorowski, D

2004-10-06

The crystal structure of a new intermetallic compound Ce{sub 6}Pt{sub 11}In{sub 14} has been determined from single crystal X-ray data and was refined by a full-matrix least-squares method down to R{sub 1}=0.0497 for 1215 structure factors and 96 parameters. The unit cell is monoclinic, space group C2/m, Z=2 with the lattice parameters: a=22.729(5) A, b=4.3960(10) A, c=14.780(3) A and {beta}=118.35(3) deg. . It represents a new type of crystal structure of intermetallic compounds.

Synthesis, structure and electronic configuration of [Rh{sub 6}Te{sub 8}(PPh{sub 3}){sub 6}].4C{sub 6}H{sub 6}

Energy Technology Data Exchange (ETDEWEB)

Thiele, Guenther; Balmer, Markus [Marburg Univ. (Germany). Fachbereich Chemie; Dehnen, Stefanie [Marburg Univ. (Germany). Fachbereich Chemie and Wissenschaftliches Zentrum fuer Materialwissenschaften

2016-08-01

[Rh{sub 6}Te{sub 8}(PPh{sub 3}){sub 6}].4C{sub 6}H{sub 6}, the first compound with a molecular Chevrel-type [Rh{sub 6}Te{sub 8}] cluster core has been synthesized and structurally characterized. By means of quantum chemical calculation, the close relationship of its electronic configuration to that of the lighter homologue has been demonstrated. The different crystal solvent content prevents an isostructural crystallization.

Hydrothermal synthesis and crystal structures of Na{sub 2}Be{sub 3}(SeO{sub 3}){sub 4}.H{sub 2}O and Cs{sub 2}[Mg(H{sub 2}O){sub 6}]{sub 3}(SeO{sub 3}){sub 4}

Energy Technology Data Exchange (ETDEWEB)

Shen, Chen; Mei, Dajiang; Sun, Chuanling; Liu, Yunsheng; Wu, Yuandong [College of Chemistry and Chemical Engineering, Shanghai University of Engineering Science (China)

2017-09-04

The selenites, Na{sub 2}Be{sub 3}(SeO{sub 3}){sub 4}.H{sub 2}O and Cs{sub 2}[Mg(H{sub 2}O){sub 6}]{sub 3}(SeO{sub 3}){sub 4}, were synthesized under hydrothermal conditions. The crystal structures of Na{sub 2}Be{sub 3}(SeO{sub 3}){sub 4}.H{sub 2}O and Cs{sub 2}[Mg(H{sub 2}O){sub 6}]{sub 3}(SeO{sub 3}){sub 4} were determined by single-crystal X-ray diffractions. Na{sub 2}Be{sub 3}(SeO{sub 3}){sub 4}.H{sub 2}O crystallizes in the triclinic space group P1 (no. 2) with unit cell parameters a = 4.8493(9), b = 12.013(2), c = 12.077(2) Aa, and Z = 2, whereas Cs{sub 2}[Mg(H{sub 2}O){sub 6}]{sub 3}(SeO{sub 3}){sub 4} crystallizes in the monoclinic space group C2/m (no. 12) with lattice cell parameters a = 12.596(6), b = 7.297(4), c = 16.914(8) Aa, and Z = 2. Na{sub 2}Be{sub 3}(SeO{sub 3}){sub 4}.H{sub 2}O features a three-dimensional open framework structure formed by BeO{sub 4} tetrahedra and SeO{sub 3} trigonal pyramids. Na cations and H{sub 2}O molecules are located in different tunnels. Cs{sub 2}[Mg(H{sub 2}O){sub 6}]{sub 3}(SeO{sub 3}){sub 4} has a structure composed of isolated [Mg(H{sub 2}O){sub 6}] octahedra and SeO{sub 3} trigonal pyramids interacted by hydrogen bonds, and Cs cations are resided in-between. Both compounds were characterized by thermogravimetric analysis and FT-IR spectroscopy. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Stable structures for Al{sub 20} clusters

Energy Technology Data Exchange (ETDEWEB)

Yao Changhong [Department of Physics and State Key Laboratory of Silicon Materials, Zhejiang University, Hangzhou, Zhejiang 310027 (China)]. E-mail: phych@zju.edu.cn; Song Bin [Department of Physics and State Key Laboratory of Silicon Materials, Zhejiang University, Hangzhou, Zhejiang 310027 (China); Cao Peilin [Department of Physics and State Key Laboratory of Silicon Materials, Zhejiang University, Hangzhou, Zhejiang 310027 (China)

2005-06-20

The low-lying energy structures of Al{sub 20} cluster are obtained by full-potential linear-muffin-tin-orbital molecular-dynamics (FP-LMTO-MD) method. A set of new low-lying energy structures including a new lowest energy structure, were found in our calculation. The waist-capped double icosahedral structure, which was considered as the global minimum previously, is merely one of the low-lying structures. Comparison and discussion between Al{sub 20} and Si{sub 20} have been made.

Picosecond anti-Stokes generation in a photonic-crystal fiber for interferometric CARS microscopy

DEFF Research Database (Denmark)

Keiding, Søren Rud

2006-01-01

We generate tunable picosecond anti-Stokes pulses by four-wave mixing of two picosecond pump and Stokes pulse trains in a photonic-crystal fiber. The visible, spectrally narrow anti-Stokes pulses with shifts over 150 nm are generated without generating other spectral features. As a demonstration,...

Multiphoton ionization of (Xe)n and (NO)n clusters using a picosecond laser

International Nuclear Information System (INIS)

Smith, D.B.; Miller, J.C.

1989-01-01

Mass-resolved multiphoton ionization (MPI) spectroscopy is an established technique for detecting and analyzing van der Waals molecules and larger clusters. MPI spectroscopy provides excellent detection sensitivity, moderately high resolution, and selectivity among cluster species. In addition to information provided by the analysis of photoions following MPI, photoelectron spectroscopy can reveal details regarding the structure of ionic states. Unfortunately, the technique is limited by its tendency to produce extensive fragmentation. Fragmentation is also a problem with other ionization techniques (e.g., electron impact ionization), but the intense laser beams required for MPI cause additional dissociation channels to become available. These channels include absorption of additional photons by parent ions (ion ladder mechanism), absorption of additional photons by fragment ions (ladder switching mechanism), and resonances with dissociative states in the neutral manifold. The existence of these dissociation channels can preclude the use of MPI spectroscopy in many situations. Recently, MPI studies of stable molecules using picosecond lasers (pulse length = 1 - 10 ps) have indicated that limitations due to fragmentation might be subdued. With picosecond lasers, dissociation mechanisms can be altered and in some cases fragmentation can be eliminated or reduced. Additional photon absorption competes effectively with dissociation channels when a very short laser pulse or, perhaps more importantly, a sufficiently high peak-power is used. In the case where ionic absorption and fragmentation occurs, it has been shown that picosecond MPI might favor the ion ladder mechanism rather than the ladder switching mechanism

Structure of Na/sub 2/AlBAs/sub 4/O/sub 14/, a condensed aluminoboroarsenate

Energy Technology Data Exchange (ETDEWEB)

Driss, A.; Jouini, T.

1988-05-15

M/sub r/=607.45, monoclinic, P2/sub 1//c, a=4.5916(5), b=20.706(3), c=10.933(1) A, ..beta..=90.39(1)/sup 0/, V=1039.4 A/sup 3/, Z=4, D/sub x/=3.88, D/sub m/ (in bromobenzene)=3.93 Mg m/sup -3/, MoK anti ..cap alpha.., lambda=0.7107 A, ..mu..=13.7 mm/sup -1/, F(000)=1136, T=293 K, R=0.035, ..omega..R=0.047 for 1029 independent reflections. The main feature of this structure is the existence of a novel aluminoboroarsenate anion (Al/sub 2/B/sub 2/As/sub 8/O/sub 28/)/sup 4n-//sub n/ built up from centrosymmetrical B/sub 2/As/sub 4/O/sub 18/ rings formed by corner-sharing of AsO/sub 4/ and BO/sub 4/ tetrahedra and having two As/sub 2/O/sub 7/ pyroarsenate branches. The rings form infinite chains parallel to the a direction by As-O-B linkages. The chains are linked by sharing edges of AsO/sub 4/ tetrahedra and AlO/sub 6/ octahedra to form an infinite three-dimensional framework containing tunnels parallel to the chains where the Na/sup +/ cations are located. This structure is the first ternary heteropolyanion including B, Al and As atoms.

Investigation of structural imitation and lattice vibrations of Pr{sub 2}Fe{sub 17-} {sub x} Mn {sub x} compounds

Energy Technology Data Exchange (ETDEWEB)

Shen Jiang [Institute of Applied Physics, University of Science and Technology Beijing, 30 Xueyuou Road, HaiDian District, Beijing 100083 (China)]. E-mail: shenj@sas.ustb.edu.cn; Qian Ping [Institute of Applied Physics, University of Science and Technology Beijing, 30 Xueyuou Road, HaiDian District, Beijing 100083 (China); Chen Nanxian [Institute of Applied Physics, University of Science and Technology Beijing, 30 Xueyuou Road, HaiDian District, Beijing 100083 (China); Department of Physics, Tsinghua University, Beijing 100084 (China)

2005-03-15

We have investigated the structural properties of Pr{sub 2}Fe{sub 17-} {sub x} Mn {sub x} compounds by using quasi-ab initio pair potentials {phi} {sub Fe-Fe}(r), {phi} {sub Pr-Fe}(r), {phi} {sub Pr-Pr}(r), {phi} {sub Pr-Mn}(r), {phi} {sub Fe-Mn}(r) and {phi} {sub Mn-Mn}(r). In Pr{sub 2}Fe{sub 17-} {sub x} Mn {sub x} , the ternary elements Mn substitute for Fe atoms without changing the crystal structure. The calculated cohesive energy curves show that for all values of x, Mn preferentially substitutes for Fe in the 6c site and randomly substitutes for Fe in the 18f and 18h site. The calculated lattice constants coincide quite well with experimental values. Furthermore, the phonon density, specific heat and vibrational entropy of these compounds are also calculated. It is interesting that simple pair potentials can describe these extremely anisotropic materials.

Picosecond electron bunches from GaAs/GaAsP strained superlattice photocathode

International Nuclear Information System (INIS)

Jin, Xiuguang; Matsuba, Shunya; Honda, Yosuke; Miyajima, Tsukasa; Yamamoto, Masahiro; Utiyama, Takashi; Takeda, Yoshikazu

2013-01-01

GaAs/GaAsP strained superlattices are excellent candidates for use as spin-polarized electron sources. In the present study, picosecond electron bunches were successfully generated from such a superlattice photocathode. However, electron transport in the superlattice was much slower than in bulk GaAs. Transmission electron microscopy observations revealed that a small amount of variations in the uniformity of the layers was present in the superlattice. These variations lead to fluctuations in the superlattice mini-band structure and can affect electron transport. Thus, it is expected that if the periodicity of the superlattice can be improved, much faster electron bunches can be produced. - Highlights: • GaAs/GaAsP strained superlattices are excellent candidates for spin-polarized electron beam. • Pulse spin-polarized electron beam is required for investigating the magnetic domain change. • Picosecond electron bunches were achieved from GaAs/GaAsP superlattice photocathode. • TEM observation revealed a small disorder of superlattice layers. • Improvement of superlattice periodicity can achieve much faster electron bunches

Fabrication and hydrophobic characteristics of micro / nanostructures on polydimethylsiloxane surface prepared by picosecond laser

Science.gov (United States)

Bin, Wang; Dong, Shiyun; Yan, Shixing; Gang, Xiao; Xie, Zhiwei

2018-03-01

Picosecond laser has ultrashort pulse width and ultrastrong peak power, which makes it widely used in the field of micro-nanoscale fabrication. polydimethylsiloxane (PDMS) is a typical silicone elastomer with good hydrophobicity. In order to further improve the hydrophobicity of PDMS, the picosecond laser was used to fabricate a grid-like microstructure on the surface of PDMS, and the relationship between hydrophobicity of PDMS with surface microstructure and laser processing parameters, such as processing times and cell spacing was studied. The results show that: compared with the unprocessed PDMS, the presence of surface microstructure significantly improved the hydrophobicity of PDMS. When the number of processing is constant, the hydrophobicity of PDMS decreases with the increase of cell spacing. However, when the cell spacing is fixed, the hydrophobicity of PDMS first increases and then decreases with the increase of processing times. In particular, when the times of laser processing is 6 and the cell spacing is 50μm, the contact angle of PDMS increased from 113° to 154°, which reached the level of superhydrophobic.

Calcium substitution in rare-earth metal germanides with the hexagonal Mn{sub 5}Si{sub 3} structure type. structural characterization of the extended series RE{sub 5–x}Ca{sub x}Ge{sub 3} (RE=Rare-earth metal)

Energy Technology Data Exchange (ETDEWEB)

Suen, Nian-Tzu; Broda, Matthew; Bobev, Svilen, E-mail: bobev@udel.edu

2014-09-15

Reported are the synthesis and the structural characterization of an extended family of rare-earth metal–germanides with a general formula RE{sub 5–x}Ca{sub x}Ge{sub 3} (RE=Y, Ce–Nd, Sm, Gd–Tm and Lu; x<2). All twelve phases are isotypic, crystallizing with the Mn{sub 5}Si{sub 3} structure type (Pearson index hP16, hexagonal space group P6{sub 3}/mcm); they are the Ca-substituted variants of the corresponding RE{sub 5}Ge{sub 3} binaries. Across the series, despite some small variations in the Ca-uptake, the unit cell volumes decrease monotonically, following the lanthanide contraction. Temperature dependent DC magnetization measurements reveal paramagnetic behavior in the high temperature range, and the obtained effective moments are consistent with free-ion RE{sup 3+} ground state, as expected from prior studies of the binary RE{sub 5}Ge{sub 3} phases. The onset of magnetic ordering is observed in the low temperature range, and complex magnetic interactions (ferromagnetic/ferrimagnetic) can be inferred, different from the binary phases RE{sub 5}Ge{sub 3}, which are known as antiferromagnetic. In order to understand the role of Ca in the bonding, the electronic structures of the La{sub 5}Ge{sub 3} and the hypothetical compounds La{sub 2}Ca{sub 3}Ge{sub 3} and La{sub 3}Ca{sub 2}Ge{sub 3} with ordered metal atoms are compared and discussed. - Graphical abstract: The family of rare-earth metal–calcium–germanides with the general formula RE{sub 5–x}Ca{sub x}Ge{sub 3} (RE=Y, Ce–Nd, Sm, Gd–Tm and Lu) crystallize in the hexagonal space group P6{sub 3}/mcm (No. 193, Pearson symbol hP16) with a structure that is a variant of the Mn{sub 5}Si{sub 3} structure type. - Highlights: • The newly synthesized RE{sub 5–x}Ca{sub x}Ge{sub 3} (RE=Y, Ce–Nd, Sm, Gd–Tm and Lu) constitute an extended family. • The structure is a substitution variant of the hexagonal Mn{sub 5}Si{sub 3} structure type. • Ca-uptake is the highest in the early members, and

Structure and crystallization kinetics of Bi{sub 2}O{sub 3}-B{sub 2}O{sub 3} glasses

Energy Technology Data Exchange (ETDEWEB)

Cheng Yin [College of Materials Science and Engineering, Hunan University, Changsha, Hunan 410082 (China); Xiao Hanning [College of Materials Science and Engineering, Hunan University, Changsha, Hunan 410082 (China)]. E-mail: zjbcy@126.com; Guo Wenming [College of Materials Science and Engineering, Hunan University, Changsha, Hunan 410082 (China); Guo Weiming [College of Materials Science and Engineering, Hunan University, Changsha, Hunan 410082 (China)

2006-05-15

The experimental IR (infrared spectra) and differential scanning calorimetry (DSC) curves of Bi{sub 2}O{sub 3}-B{sub 2}O{sub 3} glasses, containing 30-60 mol% Bi{sub 2}O{sub 3}, have been investigated in the article. The composition dependence of IR absorption suggests that addition of Bi{sub 2}O{sub 3} results in a change in the short-range order structure of the borate matrix. The increase of Bi{sub 2}O{sub 3} content causes a progressive conversion of [BO{sub 3}] to [BO{sub 4}] units. Bi{sub 2}O{sub 3}, in the form of [BiO{sub 6}] octahedral units, plays the role of glass former. The crystallization kinetics of Bi{sub 2}O{sub 3}-B{sub 2}O{sub 3} glasses were described by thermal stability indexes (k {sub gl}, {delta}T), activation energy (E) for crystallization and numerical factors(n, m) depending on the nucleation process and growth morphology, which were calculated by Satava method and the modified Ozawa-Chen method. When Bi{sub 2}O{sub 3} {<=} 45 mol%, the increase of Bi{sub 2}O{sub 3} tends to improve the thermal stabilities of the glasses. In this case, k {sub gl} may be more suitable for estimating the glass thermal stability in above composition range than {delta}T. A further increase of Bi{sub 2}O{sub 3} content will increase the crystallization trends of investigated glasses. Two possible kinds of growth mechanisms were involved in Bi{sub 2}O{sub 3}-B{sub 2}O{sub 3} glasses: one-dimensional growth and two-dimensional growth. Moreover, structures of crystallized glasses were observed by X-ray diffraction (XRD). BiBO{sub 3} crystal with special non-linear optical properties can be obtained when Bi{sub 2}O{sub 3} {>=} 50 mol%.

Synthesis, structure, and characterization of two new bismuth(III) selenite/tellurite nitrates: [(Bi{sub 3}O{sub 2})(SeO{sub 3}){sub 2}](NO{sub 3}) and [Bi(TeO{sub 3})](NO{sub 3})

Energy Technology Data Exchange (ETDEWEB)

Meng, Chang-Yu; Wei, Ming-Fang [Department of Chemistry and Materials, Yulin Normal University,Yulin, Guangxi 537000 (China); Geng, Lei, E-mail: lgeng.cn@gmail.com [Department of Materials Science and Engineering, Huaibei Normal University, Huaibei, Anhui 235000 (China); Hu, Pei-Qing; Yu, Meng-Xia [Department of Chemistry and Materials, Yulin Normal University,Yulin, Guangxi 537000 (China); Cheng, Wen-Dan [State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002 (China)

2016-07-15

Two new bismuth(III) selenite/tellurite nitrates, [(Bi{sub 3}O{sub 2})(SeO{sub 3}){sub 2}](NO{sub 3}) and [Bi(TeO{sub 3})](NO{sub 3}), have been synthesized by conventional facile hydrothermal method at middle temperature 200 °C and characterized by single-crystal X-ray diffraction, powder diffraction, UV–vis–NIR optical absorption spectrum, infrared spectrum and thermal analylsis. Both [(Bi{sub 3}O{sub 2})(SeO{sub 3}){sub 2}](NO{sub 3}) and [Bi(TeO3)](NO3) crystallize in the monoclinic centronsymmetric space group P2{sub 1}/c with a=9.9403(4) Å, b=9.6857(4) Å, c=10.6864(5) Å, β=93.1150(10)° for [(Bi{sub 3}O{sub 2})(SeO{sub 3}){sub 2}](NO{sub 3}) and a=8.1489(3) Å, b=9.0663(4) Å, c=7.4729(3) Å, β=114.899(2)° for Bi(TeO3)(NO3), respectively. The two compounds, whose structures are composed of three different asymmetric building units, exhibit two different types of structures. The structure of [(Bi{sub 3}O{sub 2})(SeO{sub 3}){sub 2}](NO{sub 3}) features a three-dimensional (3D) bismuth(III) selenite cationic tunnel structure [(Bi{sub 3}O{sub 2})(SeO{sub 3}){sub 2}] {sup 3}{sub ∞} with NO{sub 3}{sup −} anion group filling in the 1D tunnel along b axis. The structure of [Bi(TeO{sub 3})](NO{sub 3}) features 2D bismuth(III) tellurite [Bi(TeO{sub 3}){sub 2}]{sup 2}{sub ∞} layers separated by NO{sub 3}{sup −} anion groups. The results of optical diffuse-reflectance spectrum measurements and electronic structure calculations based on density functional theory methods show that the two compounds are wide band-gap semiconductors. - Graphical abstract: Two novel bismuth{sup III} selenite/tellurite nitrates [(Bi{sub 3}O{sub 2})(SeO{sub 3}){sub 2}](NO{sub 3}) with 3D tunnel structure and [Bi(TeO{sub 3})](NO{sub 3}) with 2D layer structure have been firstly synthesized and characterized. Display Omitted - Highlights: • Two novel bismuth{sup III} nitrates [(Bi{sub 3}O{sub 2})(SeO{sub 3}){sub 2}](NO{sub 3}) and [Bi(TeO{sub 3})](NO{sub 3}) were firstly

Structural and spectroscopic studies of Ba{sub 2}Y{sub 1−δ}UO{sub 6+x}

Energy Technology Data Exchange (ETDEWEB)

Reynolds, Emily; Kennedy, Brendan J. [School of Chemistry, The University of Sydney, Sydney, NSW 2006 (Australia); Avdeev, Maxim; Thorogood, Gordon J.; Zhang, Zhaoming [Australian Nuclear Science and Technology Organisation, Lucas Heights, NSW 2234 (Australia); Brand, Helen E.A. [Australian Synchrotron, 800 Blackburn Rd, Clayton, Victoria 3168 (Australia)

2016-11-15

A combination of S-XRD and NPD demonstrate the structure of Ba{sub 2}Y{sub 0.879}UO{sub 6+x} to be monoclinic in space group I2/m. That the U is hexavalent is evident from the U L{sub 2}-edge XANES measurements. This appears to be a rare example of a double perovskite containing vacancies at the octahedral B-sites and interstitial oxygen defects, which combine to stabilise hexavalent U and appears to be a consequence of the preparation of the sample in air. The Y vacancies, coupled with anion disorder, results in a distortion of the BO{sub 6} octahedra. - Graphical abstract: The structure of Ba{sub 2}Y{sub 0.879}UO{sub 6+x} is shown to be a rare example of a double perovskite containing vacancies at the octahedral B-sites and interstitial oxygen defects. - Highlights: • Structure of Ba{sub 2}Y{sub 0.879}UO{sub 6+x} refined. • U L-edge XANES demonstrates the U is hexavalent. • Rare example of a perovskite containing vacancies at the octahedral B-site. • Y vacancies result in a distortion of the BO{sub 6} octahedra.

Structural, catalytic and magnetic properties of Cu{sub 1-X}Co{sub X}Fe{sub 2}O{sub 4}

Energy Technology Data Exchange (ETDEWEB)

Briceno, Sarah, E-mail: sbriceno@ivic.gob.ve [Laboratorio de Fisica de la Materia Condensada, Centro de Fisica, Instituto Venezolano de Investigaciones Cientificas (IVIC), Apartado 20632, Caracas 1020-A (Venezuela, Bolivarian Republic of); Del Castillo, Hector [Laboratorio de Cinetica y Catalisis, Departamento de Quimica, Facultad de Ciencias, Universidad de Los Andes, Merida 5101-A (Venezuela, Bolivarian Republic of); Sagredo, V. [Laboratorio de Magnetismo, Departamento de Fisica, Facultad de Ciencias, Universidad de Los Andes, Merida 5101-A (Venezuela, Bolivarian Republic of); Bramer-Escamilla, Werner; Silva, Pedro [Laboratorio de Fisica de la Materia Condensada, Centro de Fisica, Instituto Venezolano de Investigaciones Cientificas (IVIC), Apartado 20632, Caracas 1020-A (Venezuela, Bolivarian Republic of)

2012-12-15

Highlights: Black-Right-Pointing-Pointer Cu{sub 1-X}Co{sub X}Fe{sub 2}O{sub 4} ferrite synthesized by sol-gel auto-combustion method. Black-Right-Pointing-Pointer Structural identification, magnetic and catalytic properties were investigated. Black-Right-Pointing-Pointer Characterization by TGA, DTA, XRD, SEM, TEM and VSM techniques. Black-Right-Pointing-Pointer Magnetic properties decrease with the increase of Cu{sup 2+} doping. Black-Right-Pointing-Pointer The selective conversion to N{sub 2} is higher for Cu-Co mixed ferrites. - Abstract: Copper substituted cobalt ferrite Cu{sub 1-X}Co{sub X}Fe{sub 2}O{sub 4} (0 {<=}x {<=} 1) have been synthesized using sol-gel auto combustion method with citric acid as fuel. Structural identification, magnetic and catalytic properties were investigated using thermogravimetric and differential thermal analysis, X-ray diffraction, scanning electron microscopy, transmission electron microscopy, vibrating sample magnetometry and their application in the selective catalytic reduction of NOx were studied. Analysis of structural properties reveals that all samples have cubic spinel structure. Room temperature magnetic hysteresis measurements as a function of magnetic field infer that the magnetic properties decrease with Cu{sup 2+} doping which may be due to the difference of the magnetic moment of Cu{sup 2+} and Co{sup 2+} ions. The higher activity of the samples in NO selective reduction to N{sub 2} occurs at 350 Degree-Sign C, reaching a maximum of 38% NO conversion and 95% of selective conversion to N{sub 2}. The compositions containing both Cu{sup 2+} and Co{sup 2+} ions are more active to the products selectivity to N{sub 2}, suggesting a synergistic effect on the active surface of ferrite and the effect of Co{sup 2+} is more pronounced than Cu{sup 2+} towards NO conversion.

Optical properties of a new Bi{sub 38}Mo{sub 7}O{sub 78} semiconductor with fluorite-type δ-Bi{sub 2}O{sub 3} structure

Energy Technology Data Exchange (ETDEWEB)

Wang, Zuoshan; Bi, Shala; Wan, Yingpeng [State and Local Joint Engineering Laboratory for Novel Functional Polymeric Materials, College of Chemistry, Chemical Engineering and Materials Science, Soochow University, Suzhou 215123 (China); Huang, Pengjie [College of Textile and Clothing Engineering, Soochow University, Suzhou 215006 (China); Zheng, Min, E-mail: zhengmin@suda.edu.cn [College of Textile and Clothing Engineering, Soochow University, Suzhou 215006 (China)

2017-03-31

Highlights: • Bi{sub 38}Mo{sub 7}O{sub 78} semiconductor nanoparticles were synthesized by sol-gel method. • Bi{sub 38}Mo{sub 7}O{sub 78} keeps the structural characteristics of the patrimonial δ-Bi{sub 2}O{sub 3} structure. • Bi{sub 38}Mo{sub 7}O{sub 78} show an efficient optical absorption in visible light. • Photocatalytic property was markedly enhanced for Bi{sub 38}Mo{sub 7}O{sub 78} nanoparticles. • The mechanism of this photocatalysis system was proposed. - Abstract: Bi{sup 3+}-containing inorganic materials usually show rich optical and electronic properties due to the hybridization between 6s and 6p electronic components together with the lone pair in Bi{sup 3+} ions. In this work, a new semiconductor of bismuth molybdate Bi{sub 38}Mo{sub 7}O{sub 78} (19Bi{sub 2}O{sub 3}·7MoO{sub 3}) was synthesized by the sol-gel film coating and the following heat process. The samples developed into nanoparticles with average size of 40 nm. The phase formation was verified via the XRD Rietveld structural refinement. Orthorhombic Bi{sub 38}Mo{sub 7}O{sub 78} can be regarded to be derived from the cubic δ-phase Bi{sub 2}O{sub 3} structure. The microstructure was investigated by SEM, EDX, TEM, BET and XPS measurements. The UV-vis absorption spectra showed that the band gap of Bi{sub 38}Mo{sub 7}O{sub 78} (2.38 eV) was greatly narrowed in comparison with Bi{sub 2}O{sub 3} (2.6 eV). This enhances the efficient absorption of visible light. Meanwhile, the conduction band of is wider and shows more dispersion, which greatly benefits the mobility of the light-induced charges taking part in the photocatalytic reactions. Bi{sub 38}Mo{sub 7}O{sub 78} nanoparticles possess efficient activities on the photodegradation of methylene blue (MB) solutions under the excitation of visible-light. The photocatalysis activities and mechanisms were discussed on the crystal structure characteristics and the measurements such as photoluminescence, exciton lifetime and XPS results.

Electronic structure and optical properties of ABP{sub 2}O{sub 7} double phosphates

Energy Technology Data Exchange (ETDEWEB)

Hizhnyi, Yu. [Faculty of Physics, Kyiv National Taras Shevchenko University, 2, Block 1, Acad. Hlushkova Ave., 03680 Kyiv (Ukraine)], E-mail: hizhnyi@univ.kiev.ua; Gomenyuk, O.; Nedilko, S.; Oliynyk, A.; Okhrimenko, B. [Faculty of Physics, Kyiv National Taras Shevchenko University, 2, Block 1, Acad. Hlushkova Ave., 03680 Kyiv (Ukraine); Bojko, V. [National Agriculture University, 5 Geroiv Oborony Str., 03041 Kyiv (Ukraine)

2007-04-15

Luminescence and luminescence excitation under VUV radiation of ABP{sub 2}O{sub 7} (A=Na, K, Cs; B=Al, In) double phosphates are studied. Two emission bands peaking near 330 and 420 nm are common for investigated ABP{sub 2}O{sub 7} crystals. The band structure and partial densities of electronic states of perfect KAlP{sub 2}O{sub 7}, LiInP{sub 2}O{sub 7} and NaTiP{sub 2}O{sub 7} crystals are calculated by the full-potential linear-augmented-plane-wave (FLAPW) method. It is found that the structures of the conduction bands of ABP{sub 2}O{sub 7} crystals, which have different B cations, are appreciably different. Experimental results are compared with results of calculations of the electronic structure. Assumptions concerning the origin of luminescence in double phosphates are made.

Predicted electronic and structural properties of B{sub x}In{sub 1-x}As

Energy Technology Data Exchange (ETDEWEB)

Tayebi, N. [Laboratory of Applied Materials, University of Sidi Bel Abbes, 31 rue de Madagascar, Sidi Bel Abbes (Algeria); Benkabou, K., E-mail: kbenkabou@yahoo.fr [Laboratory of Applied Materials, University of Sidi Bel Abbes, 31 rue de Madagascar, Sidi Bel Abbes (Algeria); Aoumeur-Benkabou, F.Z. [Laboratory of Applied Materials, University of Sidi Bel Abbes, 31 rue de Madagascar, Sidi Bel Abbes (Algeria)

2012-07-15

Structural and electronic properties of the B{sub x}In{sub 1-x}As ternary alloy are studied using the tight binding method. The optical band gap bowing is calculated for the first time in the full range of Boron composition x. It is found to be strong. A small deviation from virtual crystal approximation is found for the bond length. New results on elastic constants are reported. The obtained results are in good agreement with the available data in the literature.

Crystal and magnetic structure of TbFe{sub 0.25}Ge{sub 2} compound

Energy Technology Data Exchange (ETDEWEB)

Gil, A., E-mail: a.gil@ajd.czest.pl [Faculty of Mathematics and Natural Sciences, Jan Długosz University in Częstochowa, Armii Krajowej 13/15, 42-200 Częstochowa (Poland); Hoser, A. [Helmholtz-Zentrum Berlin für Materialien und Energie GmbH, Hahn-Meitner-Platz 1, 14-109 Berlin (Germany); Penc, B.; Szytuła, A. [M. Smoluchowski Institute of Physics, Jagiellonian University, Reymonta 4, 30-059 Kraków (Poland)

2013-10-15

The crystal and magnetic structure of polycrystalline TbFe{sub 0.25}Ge{sub 2} sample have been determined. X-ray and neutron diffraction studies indicate that this compound has the orthorhombic CeNiSi{sub 2}-type crystal structure (space group Cmcm). The magnetic ordering, based on the neutron diffraction data in low temperature, is described by two components: a collinear antiferromagnetic G-type and a cosine-wave modulated one. In the collinear G-type structure the Tb magnetic moment is equal to 3.81(5) µ{sub B} and it is parallel to the c-axis. The modulated structure is described by the propagation vector k=(0.460(8), 0, 0.305(1)), the Tb magnetic moment equals 7.75(8) µ{sub B,} lies in b–c and forms an angle 23(2)° with the c-axis. The collinear component decreases to zero at 22.6 K while the modulated one at 190.8 K. - Highlights: • We determine crystal and magnetic structure of TbFe{sub 0.25}Ge{sub 2} compound. • We compare the results with other TbT{sub x}Ge{sub 2} compounds. • We observe the complex magnetic structure in TbFe{sub 0.25}Ge{sub 2} with two components: collinear and cosine-wave modulated. • T (3d) element have got significant influence on the interactions in Tb sublattice.

Synthesis and crystal structure of triammine pentafluorido tantalum(V) [TaF{sub 5}(NH{sub 3}){sub 3}

Energy Technology Data Exchange (ETDEWEB)

Baer, Sebastian A.; Kraus, Florian [Department Chemie, Technische Universitaet Muenchen, Lichtenbergstrasse 4, 85747 Garching (Germany); Lozinsek, Matic [Department of Inorganic Chemistry and Technology, Jozef Stefan Institute, Jamova 39, 1000 Ljubljana (Slovenia)

2013-07-01

[Sr(HF){sub 3}(TaF{sub 6}){sub 2}] reacts with liquid ammonia under the formation of colorless crystals of triammine pentafluorido tantalum(V) [TaF{sub 5}(NH{sub 3}){sub 3}] (1). The structure was elucidated by low-temperature X-ray structure analysis. Compound 1 crystallizes in the monoclinic space group P2{sub 1}/c with a = 5.1525(6), b = 11.736(1), c = 10.171(1) Aa, β = 94.843(9) , V = 612.8(1) Aa{sup 3} at 123 K with Z = 4. Its structure displays discrete TaF{sub 5}(NH{sub 3}){sub 3} molecules, which are interconnected by N-H..F hydrogen bonds to form a complex three-dimensional network. The title compound is a rare example of a neutral, molecular, eight-coordinate tantalum species. (Copyright copyright 2013 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Ba/sub 2/Ge/sub 2/Te/sub 5/, a new telluridogermanate(III) with chain structure

Energy Technology Data Exchange (ETDEWEB)

Brinkmann, C; Eisenmann, B; Schaefer, H [Technische Hochschule Darmstadt (Germany, F.R.). Fachbereich Anorganische Chemie und Kernchemie

1984-10-01

The new compound Ba/sub 2/Ge/sub 2/Te/sub 5/ crystallizes in the orthorhombic system (space group: Pna2/sub 1/ (No. 33)). The lattice constants are given. In the structure distorted Ge/sub 2/Te/sub 6/-trigonal prisms are connected by common corners to infinite chains.

Probing Dense Sprays with Gated, Picosecond, Digital Particle Field Holography

Directory of Open Access Journals (Sweden)

James Trolinger

2011-12-01

Full Text Available This paper describes work that demonstrated the feasibility of producing a gated digital holography system that is capable of producing high-resolution images of three-dimensional particle and structure details deep within dense particle fields of a spray. We developed a gated picosecond digital holocamera, using optical Kerr cell gating, to demonstrate features of gated digital holography that make it an exceptional candidate for this application. The Kerr cell gate shuttered the camera after the initial burst of ballistic and snake photons had been recorded, suppressing longer path, multiple scattered illumination. By starting with a CW laser without gating and then incorporating a picosecond laser and an optical Kerr gate, we were able to assess the imaging quality of the gated holograms, and determine improvement gained by gating. We produced high quality images of 50–200 μm diameter particles, hairs and USAF resolution charts from digital holograms recorded through turbid media where more than 98% of the light was scattered from the field. The system can gate pulses as short as 3 mm in pathlength (10 ps, enabling image-improving features of the system. The experiments lead us to the conclusion that this method has an excellent capability as a diagnostics tool in dense spray combustion research.

The complex structure of liquid Cu{sub 6}Sn{sub 5} alloy

Energy Technology Data Exchange (ETDEWEB)

Qin Jingyu; Gu Tingkun; Bian Xiufang [Key Laboratory of Liquid Structure and Heredity of Materials, Ministry of Education, Shandong University, Southern Campus, Jinan 250061 (China); Liu Hui [Shandong High Performance Computing Center, Shandong University, Southern Campus, Jinan 250061 (China)

2009-04-15

By applying ab initio molecular dynamics simulation to liquid Cu{sub 6}Sn{sub 5} alloy, the hetero-coordination tendency is discovered by Bathia-Thornton partial correlation functions and a chemical short-range parameter. However the local structural environment of Sn in l-Cu{sub 6}Sn{sub 5} alloy resembles that of liquid Sn by Voronoi analysis. A new feature, i.e. a subpeak in between the first and second peaks, is discovered by the present method which implies that topologically disordered {beta}-Sn-type structural units may exist in l-Cu{sub 6}Sn{sub 5} alloy. The local density states of electrons show that both Cu-Sn and Sn-Sn bonding exist in l-Cu{sub 6}Sn{sub 5} alloy. This work suggests that chemical short-range order between unlike atoms and self-coordination between Sn atoms coexists in l-Cu{sub 6}Sn{sub 5} alloy.

Refinement in the structural and magnetic properties of Co{sub 0.5}Ni{sub 0.5}Fe{sub 2}O{sub 4} and its application as laser micro-propellant using ablation confinement

Energy Technology Data Exchange (ETDEWEB)

Raza Ahmad, Muhammad, E-mail: mrazaahmad@gmail.com [Centre for Advanced Studies in Physics (CASP), GC University, Lahore, Punjab (Pakistan); Jamil, Yasir, E-mail: yasirjamil@yahoo.com [Department of Physics, University of Agriculture, Faisalabad, Punjab (Pakistan); Tabasuum, Ayesha [Department of Physics, University of Agriculture, Faisalabad, Punjab (Pakistan); Hussain, Tousif [Centre for Advanced Studies in Physics (CASP), GC University, Lahore, Punjab (Pakistan)

2015-06-15

The transition metal-substituted cobalt ferrite nanoparticles Co{sub 0.5}X{sub 0.5}Fe{sub 2}O{sub 4} (with X=Cu, Zn, Mn and Ni) exhibit a wide range of properties that result in their application in low loss magnetic core materials, vertical recording heads, antenna rods, memory elements, ferrofluids, biomedical applications, sensors and laser propulsion. Keeping in view its importance we investigated for the first time the structural and magnetic properties of the Co{sub 0.5}Ni{sub 0.5}Fe{sub 2}O{sub 4} samples that were subsequently subjected to thermal treatments for different time durations. The average crystallite sizes of the synthesized samples were found in the range of 24–46 nm. The values of the saturation magnetization and coercivity varied from 25.7 to 31.2 emu/g and 523.59 to 927.62 O{sub e}, respectively. The XRD patterns showed that increase in thermal treatment time resulted in the refinement of the structure whereas the SEM micrographs depicted a uniform particle size distribution of the synthesized material. We also explored the application of the synthesized material as a micro-thruster. It was found that the confinement of the laser induced plasma of Co{sub 0.5}×{sub 0.5}Fe{sub 2}O{sub 4} led to an increase in the value of coupling coefficient from the range of 5.747×10{sup −5}–7.0644×10{sup −5} N-s/J for unconfined to that of 1.41×10{sup −4}–2.68×10{sup −4}N-s/J for confined plasma corresponding to the Nd:YAG laser fluencies of 4×10{sup 9} J/m{sup 2}–6×10{sup 9} J/m{sup 2}. - Highlights: • Thermal treatment modifies the properties of Co{sub 0.5}Ni{sub 0.5}Fe{sub 2}O{sub 4}. • Change in magnetic properties with increase in calcination time. • Confinement increases the laser propulsion parameters of Co{sub 0.5}Ni{sub 0.5}Fe{sub 2}O{sub 4}.

Synthesis and structure of novel lithium-ion conductor Li{sub 7}Ge{sub 3}PS{sub 12}

Energy Technology Data Exchange (ETDEWEB)

Inoue, Yuki [Department of Electronic Chemistry, Interdisciplinary Graduate School of Science and Engineering, Tokyo Institute of Technology, 4259 Nagatsuta, Midori, Yokohama 226-8502 (Japan); Suzuki, Kota [Department of Electronic Chemistry, Interdisciplinary Graduate School of Science and Engineering, Tokyo Institute of Technology, 4259 Nagatsuta, Midori, Yokohama 226-8502 (Japan); Department of Chemical Science and Engineering, School of Materials and Chemical Technology, Tokyo Institute of Technology, 4259 Nagatsuta, Midori, Yokohama 226-8502 (Japan); Matsui, Naoki [Department of Electronic Chemistry, Interdisciplinary Graduate School of Science and Engineering, Tokyo Institute of Technology, 4259 Nagatsuta, Midori, Yokohama 226-8502 (Japan); Hirayama, Masaaki [Department of Electronic Chemistry, Interdisciplinary Graduate School of Science and Engineering, Tokyo Institute of Technology, 4259 Nagatsuta, Midori, Yokohama 226-8502 (Japan); Department of Chemical Science and Engineering, School of Materials and Chemical Technology, Tokyo Institute of Technology, 4259 Nagatsuta, Midori, Yokohama 226-8502 (Japan); Kanno, Ryoji, E-mail: kanno@echem.titech.ac.jp [Department of Electronic Chemistry, Interdisciplinary Graduate School of Science and Engineering, Tokyo Institute of Technology, 4259 Nagatsuta, Midori, Yokohama 226-8502 (Japan); Department of Chemical Science and Engineering, School of Materials and Chemical Technology, Tokyo Institute of Technology, 4259 Nagatsuta, Midori, Yokohama 226-8502 (Japan)

2017-02-15

The novel lithium-ion conductor Li{sub 7}Ge{sub 3}PS{sub 12} was synthesized by slow cooling from the ternary Li{sub 2}S–GeS{sub 2}–P{sub 2}S{sub 5} system, and was shown to exhibit a cubic argyrodite-type structure. The phase composition was determined by varying the ratio of starting materials; the observed monophasic properties were close to those for the Li{sub 7}Ge{sub 3}PS{sub 12} composition. The lattice parameter (a =9.80192(3) Å) of Li{sub 7}Ge{sub 3}PS{sub 12} was slightly smaller than that of Li{sub 7}PS{sub 6} (a =9.993 Å), indicating that substitution of a Li cation by the smaller Ge cation contracted the cubic lattice. In addition, the novel structure consisted of a framework composed of four isolated (Ge/P)S{sub 4} tetrahedra. Li{sup +} ions occupied tetrahedral sites within the framework, forming a three-dimensional conduction pathway. Finally, Li{sub 7}Ge{sub 3}PS{sub 12} exhibited a high ionic conductivity of 1.1×10{sup −4} S cm{sup −1} at 25 °C and an activation energy of 25 kJ mol{sup −1}. - Graphical abstract: A novel Li{sub 7}Ge{sub 3}PS{sub 12} solid lithium ion conductor, with cubic argyrodite strucuture, shows high ion conductivity of 1.1×10{sup –4} S cm{sup –1} with an activation energy of 25 kJ mol{sup –1}. The argyrodite structure consists of (Ge/P)S{sub 4} tetrahedra units along with partial occupation of lithium and germanium at 48 h site. - Highlights: • A novel lithium-ion conductor Li{sub 7}Ge{sub 3}PS{sub 12} was detected. • This was achieved through slow cooling of the ternary Li{sub 2}S–GeS{sub 2}–P{sub 2}S{sub 5} system. • This novel conductor revealed a cubic argyrodite-type structure. • Li{sub 7}Ge{sub 3}PS{sub 12} exhibited a high ionic conductivity of 1.1×10{sup −4} S cm{sup −1} at 25 °C. • These properties will aid in the design of superior lithium-ion conductors.

Cation composition and oxygen content dependence of crystal structure and T sub c for Tl sub 2 sub - sub x Ba sub 2 Ca sub 2 Cu sub 3 sub + sub z O sub y

CERN Document Server

Idemoto, Y; Koura, N; Kamiyama, T; Oikawa, K; Izumi, F

2003-01-01

Tl sub 2 sub - sub x Ba sub 2 Ca sub 2 Cu sub 3 sub + sub z O sub y (Tl-2223 system) superconducting oxides with various Tl contents and Cu contents were prepared. We investigated the relation between crystal structure and superconducting property dependence of Tl and Cu content. First, we obtained an almost single-phase material at a Tl content 2-x = 1.7 and the Tl-2223 phase remained the main phase in the region of 2 - x >= 0.631 of Tl sub 2 sub - sub x Ba sub 2 Ca sub 2 Cu sub 3 O sub y. T sub c was about 120 K for the Tl-2223 in a wide range of 0.631 <= 2 - x <= 1.761. Second, we obtained a single-phase at 2 - x = 1.777 and Cu content 3 + z = 3.284 of Tl sub 2 sub - sub x Ba sub 2 Ca sub 2 Cu sub 3 sub + sub z O sub y. The T sub c (zero) dependence of Cu/Tl ratio, showed a maximum value of 122 K at Cu/Tl ratio = 2.026. Based on results of crystal structure refinements by powder neutron diffraction, it was found that the change in bond length and angle dependence of average Cu valence were similar fo...

Electronic structure and high thermoelectric properties of a new material Ba{sub 3}Cu{sub 20}Te{sub 13}

Energy Technology Data Exchange (ETDEWEB)

Yang, Gui, E-mail: kuiziyang@126.com [College of Physics and Electrical Engineering, Anyang Normal University, Anyang, Henan, 455000 (China); Wu, Jinghe [Department of Physics and Electronic Engineering, Henan Institute of Education, Zhengzhou, 450046 (China); Zhang, Jing; Ma, Dongwei [College of Physics and Electrical Engineering, Anyang Normal University, Anyang, Henan, 455000 (China)

2016-09-05

The electronic structure and high thermoelectric properties of Ba{sub 3}Cu{sub 20}Te{sub 13} are studied using first principles calculations and the semiclassical Boltzmann theory. The coexistence of ionic and covalent bonding in Ba{sub 3}Cu{sub 20}Te{sub 13} indicates that it is a Zintl phase compound. The calculated band structure shows that the compound is a semiconductor with an indirect band gap ∼0.45 eV, which is an appropriate band for the high thermoelectric performance. The transport calculations based on the electronic structure indicate that it exhibits relatively large Seebeck coefficients, high electrical conductivities, and high power factor. For Ba{sub 3}Cu{sub 20}Te{sub 13}, the n-type doping may achieve a higher thermoelectric performance than that of p-type doping. It is worth noting that the thermoelectric parameters of Ba{sub 3}Cu{sub 20}Te{sub 13} are comparable or larger than that of Ca{sub 5}Al{sub 2}Sb{sub 6}, a typical Zintl compound representative with high thermoelectric performance. - Highlights: • The electronic structure and thermoelectric(TE) properties are firstly studied. • The heavy and light bands near the Fermi level benefit TE properties. • The comparison indicates Ba{sub 3}Cu{sub 20}Te{sub 13} is a potential high TE material.

Structure and Phase Transformation in the Giant Magnetostriction Laves-Phase SmFe<sub>2sub>

Energy Technology Data Exchange (ETDEWEB)

Liu, Xiaonan; Lin, Kun; Gao, Qilong; Zhu, He; Li, Qiang; Cao, Yili; Liu, Zhanning; You, Li; Chen, Jun; Ren, Yang [Argonne National Laboratory, X-Ray Science Division, Argonne, Illinois 60439, United States; Huang, Rongjin [Key Laboratory; Lapidus, Saul H. [Argonne National Laboratory, X-Ray Science Division, Argonne, Illinois 60439, United States; Xing, Xianran

2017-10-13

As one class of the most important intermetallic compounds, the binary Laves-phase is well-known for their abundant magnetic properties. Samarium-iron alloy system, SmFe<sub>2sub>, is a prototypical Laves compound that shows strong negative magnetostriction but relatively weak magnetocrystalline anisotropy. SmFe<sub>2sub> has been identified as a cubic Fd$ \\overline{3}\\ $m structure at room temperature, however, the cubic symmetry does not match the spontaneous magnetization along the [111]<sub>cubic> direction. Here we studied the crystal structure of SmFe<sub>2sub> by high-resolution synchrotron X-ray powder diffraction and X-ray total scattering methods. SmFe<sub>2sub> is found to adopt a centrosymmetric trigonal R$ \\overline{3}\\ $m structure at room temperature, which transforms to an orthorhombic Imma structure at 200 K. This transition is in agreement with the changes of easy magnetization direction from [111]<sub>cubic> to [110]<sub>cubic> direction, and is further evidenced by the inflexion of thermal expansion behavior, the sharp decline of the magnetic susceptibility in the FC-ZFC curve, and the anomaly in the specific heat capacity measurement. The revised structure and phase transformation of SmFe<sub>2sub> could be useful to understand the magnetostriction and related physical properties of other RM<sub>2sub>-type pseudo-cubic Laves-phase intermetallic compounds.

The crystal structure of Cs{sub 2}S{sub 2}O{sub 3}.H{sub 2}O

Energy Technology Data Exchange (ETDEWEB)

Winkler, Verena; Schlosser, Marc; Pfitzner, Arno [Regensburg Univ. (Germany). Inst. fuer Anorganische Chemie

2016-08-01

A reinvestigation of the alkali metal thiosulfates has led to the new phase Cs{sub 2}S{sub 2}O{sub 3}.H{sub 2}O. At first cesium thiosulfate monohydrate was obtained as a byproduct of the synthesis of Cs{sub 4}In{sub 2}S{sub 5}. Further investigations were carried out using the traditional synthesis reported by J. Meyer and H. Eggeling. Cs{sub 2}S{sub 2}O{sub 3}.H{sub 2}O crystallizes in transparent, colorless needles. The crystal structure of the title compound was determined by single crystal X-ray diffraction at room temperature: space group C2/m (No. 12), unit cell dimensions: a = 11.229(4), b = 5.851(2), c = 11.260(5) Aa, β = 95.89(2) , with Z = 4 and a cell volume of V = 735.9(5) Aa{sup 3}. The positions of all atoms including the hydrogen atoms were located in the structure refinement. Cs{sub 2}S{sub 2}O{sub 3}.H{sub 2}O is isotypic with Rb{sub 2}S{sub 2}O{sub 3}.H{sub 2}O. Isolated tetrahedra [S{sub 2}O{sub 3}]{sup 2-} are coordinated by the alkali metal cations, and in addition they serve as acceptors for hydrogen bonding. For both Cs atoms the shortest distances are observed to oxygen atoms of the S{sub 2}O{sub 3}{sup 2-} anions whereas the terminating sulfur atom has its shortest contacts to the water hydrogen atoms. Thus, an extended hydrogen bonding network is formed. The title compound has also been characterized by IR spectroscopy. IR spectroscopy reveals the vibrational bands of the water molecules at 3385 cm{sup -1}. They show a red shift in the OH stretching and bending modes as compared to free water. This is due both to the S..H hydrogen bonding and to the coordination of H{sub 2}O molecules to the cesium atoms.

Laser diagnostics for picosecond e-beams

International Nuclear Information System (INIS)

Pogorelsky, I.; Ben-Zvi, I.

1992-01-01

We propose a novel approach to picosecond e-bunch/laser pulse synchronization and spatial alignment based upon refraction and reflection of a laser beam on a plasma column created by relativistic electrons traveling through a gas or solid optical material. The technique may be used in laser accelerators and for general subpicosecond e-beam diagnostics

Comparison in the electronic structure of YBa{sub 2}Fe{sub 3}O{sub 8} insulator with YBa{sub 2}Cu{sub 3}O{sub 7} and SmFeAsO{sub 0.8}F{sub 0.2} superconductors

Energy Technology Data Exchange (ETDEWEB)

Zhang, Y.; Guan, X.Y. [Key Laboratory of Magnetic Suspension Technology and Maglev Vehicle, Ministry of Education, Superconductivity R and D Center, Southwest Jiaotong University, Chengdu 610031 (China); Cheng, C.H. [School of Materials Science and Engineering, University of New South Wales, Sydney, 2052 NSW (Australia); Pan, M. [Key Laboratory of Magnetic Suspension Technology and Maglev Vehicle, Ministry of Education, Superconductivity R and D Center, Southwest Jiaotong University, Chengdu 610031 (China); Zhang, H. [Department of Physics, Peking University, Beijing 100871 (China); Zhao, Y., E-mail: yzhao@home.swjtu.edu.cn [Key Laboratory of Magnetic Suspension Technology and Maglev Vehicle, Ministry of Education, Superconductivity R and D Center, Southwest Jiaotong University, Chengdu 610031 (China); School of Materials Science and Engineering, University of New South Wales, Sydney, 2052 NSW (Australia)

2013-10-15

Highlights: • The electronic structure of YBa{sub 2}Fe{sub 3}O{sub 8}, YBa{sub 2}Cu{sub 3}O{sub 7} and SmFeAsO{sub 0.8}F{sub 0.2} were investigated by XPS. • The core-level and valence-band structures of these systems are different. • The density of states at Fermi level is related to the superconductivity. -- Abstract: The electronic structure and chemical states of relevant elements of YBa{sub 2}Fe{sub 3}O{sub 8} are investigated using X-ray photoemission spectroscopy (XPS), compared with those of YBa{sub 2}Cu{sub 3}O{sub 7} and SmFeAsO{sub 0.8}F{sub 0.2} superconductors. The typical differences and similarities in core-level and valence-band structures of these systems have been detected, strongly suggesting that the superconductivity have the finite density of states around Fermi level. Several features of O1s, Y3d, Ba3d, and Fe2p core lines in XPS spectra are also carefully compared and analyzed.

Changing structural properties of mixed crystals [N(CH{sub 3}){sub 4}]{sub 2}Zn{sub 1-x}Co{sub x}Cl{sub 4} (x = 0, 0.5, 0.7, 0.9, and 1) by magic angle spinning nuclear magnetic resonance

Energy Technology Data Exchange (ETDEWEB)

Lim, Ae Ran, E-mail: aeranlim@hanmail.net [Department of Science Education, Jeonju University, Jeonju 560-759 (Korea, Republic of); Department of Carbon Fusion Engineering, Jeonju University, Jeonju 560-759 (Korea, Republic of)

2016-03-01

Temperature dependences of the chemical shift and spin-lattice relaxation time in the rotating frame T{sub 1ρ} were measured for {sup 1}H and {sup 13}C nuclei in mixed crystals of the form [N(CH{sub 3}){sub 4}]{sub 2}Zn{sub 1-x} Co{sub x}Cl{sub 4} (x = 0, 0.5, 0.7, 0.9, and 1). The mixed crystals varied in color according to the amount of Co{sup 2+} ions, whereas the phase transition temperatures remained nearly unchanged. [N(CH{sub 3}){sub 4}]{sub 2}ZnCl{sub 4} and [N(CH{sub 3}){sub 4}]{sub 2}CoCl{sub 4} crystals contain two nonequivalent types of a-N(CH{sub 3}){sub 4} and b-N(CH{sub 3}){sub 4}. The two crystallographically different ions a-N(CH{sub 3}){sub 4} and b-N(CH{sub 3}){sub 4} were distinguished using {sup 13}C CP/MAS NMR spectroscopy. The NMR spectrum and T{sub 1ρ} for {sup 1}H and {sup 13}C in case of x = 0.5 and x = 0.7 were similar to those for [N(CH{sub 3}){sub 4}]{sub 2}ZnCl{sub 4}, whereas those for x = 0.9 were absolutely different. Additionally, [N(CH{sub 3}){sub 4}]{sub 2}Zn{sub 0.1}Co{sub 0.9}Cl{sub 4} exhibited the structural properties of both [N(CH{sub 3}){sub 4}]{sub 2}ZnCl{sub 4} and [N(CH{sub 3}){sub 4}]{sub 2}CoCl{sub 4}. - Highlights: • Chemical shift and spin-lattice relaxation time in rotating frame. • Two crystallographically different ions a-N(CH{sub 3}){sub 4} and b-N(CH{sub 3}){sub 4}. • Structural properties of mixed crystals.

Synthesis, crystal structure, and properties of KSbO{sub 3}-type Bi{sub 3}Mn{sub 1.9}Te{sub 1.1}O{sub 11}

Energy Technology Data Exchange (ETDEWEB)

Li Manrong; Retuerto, Maria; Bok Go, Yong; Emge, Thomas J. [Department of Chemistry and Chemical Biology, Rutgers, State University of New Jersey, 610 Taylor Road, Piscataway, NJ 08854 (United States); Croft, Mark; Ignatov, Alex [Department of Physics and Astronomy, Rutgers, State University of New Jersey, 136 Frelinghuysen Road, Piscataway, NJ 08854 (United States); Ramanujachary, Kandalam V. [Department of Chemistry and Biochemistry, Rowan University, 210 Mullica Hill Road, Glassboro, NJ 08028 (United States); Dachraoui, Walid; Hadermann, Joke [EMAT, University of Antwerp, Groenenborgerlaan 171, B-2020 Antwerp (Belgium); Tang Meibo; Zhao Jingtai [Key Laboratory of Transparent Opto-Functional Inorganic Materials of Chinese Academy of Sciences, Shanghai Institute of Ceramics, Shanghai 200050 (China); Greenblatt, Martha, E-mail: martha@rutchem.rutgers.edu [Department of Chemistry and Chemical Biology, Rutgers, State University of New Jersey, 610 Taylor Road, Piscataway, NJ 08854 (United States)

2013-01-15

Single crystals of Bi{sub 3}Mn{sub 1.9}Te{sub 1.1}O{sub 11} were prepared from NaCl+KCl flux. This compound adopts KSbO{sub 3}-type crystal structure as evidenced by electron and single crystal X-ray diffraction analysis. The three-dimensional channel structure is formed by corner-sharing octahedral (Mn{sub 0.63}Te{sub 0.37}){sub 2}O{sub 10} dimers and two identical (Bi1){sub 4}(Bi2){sub 2} interpenetrating lattices. The intra-dimer Mn/Te-Mn/Te distances in Bi{sub 3}Mn{sub 1.9}Te{sub 1.1}O{sub 11} are short and are consistent with weak metal-metal interactions. The mixed oxidation state of manganese and the edge-sharing octahedral features are confirmed by X-ray near edge absorption spectroscopy measurements, which indicate Bi{sub 3}(Mn{sup III}{sub 1.1}Mn{sup IV}{sub 0.8})Te{sup VI}{sub 1.1}O{sub 11} with 57.7% Mn{sup 3+} and 42.3% Mn{sup 4+}. The partial substitution of Te for Mn perturbs long-range magnetic interactions, thereby destroying the ferromagnetic ordering found in Bi{sub 3}Mn{sub 3}O{sub 11} (T{sub C}=150 K). - Graphical abstract: Single crystal of Bi{sub 3}Mn{sub 1.9}Te{sub 1.1}O{sub 11} was grown from NaCl+KCl binary flux, suggesting that the high pressure Bi{sub 3}Mn{sub 3}O{sub 11} phase can be stabilized by partial substitution of Mn by Te at ambient pressure. Bi{sub 3}Mn{sub 1.9}Te{sub 1.1}O{sub 11} adopts a typical three dimensional KSbO{sub 3}-type crystal structure with three interpenetrating lattices and weak intra-dimmer metal-metal interaction caused by the d electrons of Mn. The edge-shared (Mn{sub 0.63}Te{sub 0.37}){sub 2}O{sub 10} octahedral dimer and mixed oxidation state of manganese (Bi{sub 3}(Mn{sup III}{sub 1.1}Mn{sup IV}{sub 0.8})Te{sup VI}{sub 1.1}O{sub 11} with 57.7% Mn{sup 3+} and 42.3% Mn{sup 4+}) features were evidenced by X-ray absorption near edge spectroscopy. Compared with Bi{sub 3}Mn{sub 3}O{sub 11}, the Te substituted Bi{sub 3}Mn{sub 1.9}Te{sub 1.1}O{sub 11} relaxes the crystal structure, but destroys the long

NQR and X-ray crystal structure studies of cadmium halide complexes: [C(NH{sub 2}){sub 3}]CdI{sub 3} and [4-ClC{sub 6}H{sub 5}NH{sub 3}]{sub 3}CdBr{sub 5}

Energy Technology Data Exchange (ETDEWEB)

Gesing, Thorsten M.; Lork, Enno [Bremen Univ. (Germany). MAPEX Center for Material and Processes; Terao, Hiromitsu [Tokushima Univ. (Japan). Faculty of Integrated Arts and Sciences; Ishihara, Hideta [Saga Univ. (Japan). Faculty of Culture and Education

2016-05-01

The crystal structures of [C(NH{sub 2}){sub 3}]CdI{sub 3} (1) and [4-ClC{sub 6}H{sub 5}NH{sub 3}]{sub 3}CdBr{sub 5} (2) have been determined at 100 K: monoclinic, Cc, a = 828.75(3) pm, b = 1615.31(5) pm, c = 810.64(3) pm, and β = 106.5820(10) for 1; monoclinic, P2{sub 1}/c, a = 1486.93(5) pm, b = 794.31(3) pm, c = 2290.59(7) pm, and β = 99.6830(10) for 2. The structure of 1 has an infinite chain of anions consisting of [CdI{sub 4}] tetrahedra sharing two corners. The structure of 2 has an infinite chain of anions consisting of [CdBr{sub 6}] octahedra sharing two corners in cis positions. In both structures, isolated cations are connected to the anion chains through weak hydrogen bonds Cd-X..H to result in three-dimensional network structures. In accordance with the crystal structures, three {sup 127}I (m = ±1/2 <-> m = ±3/2), five {sup 81}Br, and three {sup 35}Cl nuclear quadrupole resonance (NQR) lines were observed for 1 and 2. The NQR spectra reflect the anion chain structures and their weak hydrogen bonds. The MO calculations of the models [Cd{sub 5}I{sub 16}]{sup 6-} for 1 and [Cd{sub 3}Br{sub 16}]{sup 10-} for 2 estimate only about half the values for the NQR frequencies but give accurate electric field gradient directions.

Effect of vacancies on the structure and properties of Ga{sub 2}(Se{sub 0.33}Te{sub 0.67}){sub 3}

Energy Technology Data Exchange (ETDEWEB)

Abdul-Jabbar, N. M. [Department of Nuclear Engineering, University of California, Berkeley, California 94720 (United States); Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Materials Department, University of California, Santa Barbara, California 93106 (United States); Forrest, T. R. [European Synchrotron Radiation Facility, BP 220, F-38043 Grenoble Cedex (France); Department of Physics, University of California, Berkeley, California 94720 (United States); Gronsky, R. [Department of Materials Science and Engineering, University of California, Berkeley, California 94720 (United States); Bourret-Courchesne, E. D. [Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Wirth, B. D. [Department of Nuclear Engineering, University of California, Berkeley, California 94720 (United States); Department of Nuclear Engineering, University of Tennessee, Knoxville, Tennessee 37996 (United States)

2015-08-28

Ga{sub 2}(Se{sub 0.33}Te{sub 0.67}){sub 3} belongs to a family of materials with large intrinsic vacancy concentrations that are being actively studied due to their potential for diverse applications that include thermoelectrics and phase-change memory. In this article, the Ga{sub 2}(Se{sub 0.33}Te{sub 0.67}){sub 3} structure is investigated via synchrotron x-ray diffraction, electron microscopy, and x-ray absorption experiments. Diffraction and microscopy measurements showed that the extent of vacancy ordering in Ga{sub 2}(Se{sub 0.33}Te{sub 0.67}){sub 3} is highly dependent on thermal annealing. It is posited that stoichiometric vacancies play a role in local atomic distortions in Ga{sub 2}(Se{sub 0.33}Te{sub 0.67}){sub 3} (based on the fine structure signals in the collected x-ray absorption spectra). The effect of vacancy ordering on Ga{sub 2}(Se{sub 0.33}Te{sub 0.67}){sub 3} material properties is also examined through band gap and Hall effect measurements, which reveal that the Ga{sub 2}(Se{sub 0.33}Te{sub 0.67}){sub 3} band gap redshifts by ≈0.05 eV as the vacancies order and accompanied by gains in charge carrier mobility. The results serve as an encouraging example of altering material properties via intrinsic structural rearrangement as opposed to extrinsic means, such as doping.

New tetragonal derivatives of cubic NaZn{sub 13}-type structure: RNi{sub 6}Si{sub 6} compounds, crystal structure and magnetic ordering (R=Y, La, Ce, Sm, Gd–Yb)

Energy Technology Data Exchange (ETDEWEB)

Pani, M.; Manfrinetti, P.; Provino, A. [INFM and Dipartimento di Chimica e Chimica Industriale, Universita‘ di Genova, Via Dodecaneso 31, 16146 Genova (Italy); Yuan, Fang; Mozharivskyj, Y. [Department of Chemistry and Chemical Biology, McMaster University, 1280 Main Street West, Hamilton, ON, Canada L8S 4M1 (Canada); Morozkin, A.V., E-mail: morozkin@general.chem.msu.ru [Department of Chemistry, Moscow State University, Leninskie Gory, House 1, Building 3, GSP-2, Moscow 119992 (Russian Federation); Knotko, A.V.; Garshev, A.V. [Department of Chemistry, Moscow State University, Leninskie Gory, House 1, Building 3, GSP-2, Moscow 119992 (Russian Federation); Yapaskurt, V.O. [Department of Petrology, Geological Faculty, Moscow State University, Leninskie Gory, Moscow 119992 (Russian Federation); Isnard, O. [Université Grenoble Alpes, Inst NEEL, BP166, F-38042 Grenoble (France); CNRS, Institut NEEL, 25 rue des martyrs, F-38042 Grenoble (France)

2014-02-15

Novel RNi{sub 6}Si{sub 6} compounds adopt the new CeNi{sub 6}Si{sub 6}-type structure for R=La–Ce (tP52, space group P4/nbm N 125-1) and new YNi{sub 6}Si{sub 6}-type structure for R=Y, Sm, Gd–Yb (tP52, space group P4{sup ¯}b2N 117) that are tetragonal derivative of NaZn{sub 13}-type structure, like LaCo{sub 9}Si{sub 4}-type. The CeNi{sub 6}Si{sub 6}, GdNi{sub 6}Si{sub 6}, TbNi{sub 6}Si{sub 6}, DyNi{sub 6}Si{sub 6} and HoNi{sub 6}Si{sub 6} compounds are Curie–Weiss paramagnets down to ∼30 K, and do not order magnetically down to 5 K. However, the inverse paramagnetic susceptibility of LaNi{sub 6}Si{sub 6} does not follow Curie–Weiss law. The DyNi{sub 6}Si{sub 6} shows ferromagnetic-like saturation behaviour at 5 K in applied fields of 50 kOe, giving rise to a magnetic moment value of 6.5 μ{sub B}/f.u. in 50 kOe. The powder neutron diffraction study in zero applied filed indicates square modulated the c-collinear antiferromagnetic ordering of TbNi{sub 6}Si{sub 6} with K=[±1/4, ±1/4, 0] wave vector below ∼10 K. - Graphical abstract: Novel (La, Ce)Ni{sub 6}Si{sub 6} compounds adopt the new CeNi{sub 6}Si{sub 6}-type structure and (Y, Sm, Gd–Yb) adopt the new YNi{sub 6}Si{sub 6}-type structure that are tetragonal derivative of NaZn{sub 13}-type structure, like LaCo{sub 9}Si{sub 4}-type. The CeNi{sub 6}Si{sub 6}, GdNi{sub 6}Si{sub 6}, TbNi{sub 6}Si{sub 6}, DyNi{sub 6}Si{sub 6} and HoNi{sub 6}Si{sub 6} compounds are Curie–Weiss paramagnets down to ∼30 K, and do not order magnetically down to 4.2 K. The powder neutron diffraction study in zero applied filed indicates square modulated the c-collinear antiferromagnetic ordering of TbNi{sub 6}Si{sub 6} with K=[±1/4, ±1/4, 0] wave vector below ∼10 K. Display Omitted - Highlights: • The new (La, Ce)Ni{sub 6}Si{sub 6} compounds adopt the new CeNi{sub 6}Si{sub 6}-type structure. • The new (Y, Sm, Gd–Yb)Ni{sub 6}Si{sub 6} compounds adopt the new YNi{sub 6}Si{sub 6}-type structure. • TbNi{sub 6}Si{sub

Magneto-structural transformations in Ni{sub 50}Mn{sub 37.5}Sn{sub 12.5−x}In{sub x} Heusler powders

Energy Technology Data Exchange (ETDEWEB)

Maziarz, Wojciech; Wójcik, Anna; Czaja, Paweł [Instituite of Metallurgy and Materials Science, Polish Academy of Sciences, 25 Reymonta Str, 30-059 Kraków (Poland); Żywczak, Antoni [AGH University of Science and Technology, Academic Centre for Materials and Nanotechnology, Mickiewicza 30, 30-059 Kraków (Poland); Jan Dutkiewicz [Instituite of Metallurgy and Materials Science, Polish Academy of Sciences, 25 Reymonta Str, 30-059 Kraków (Poland); Hawełek, Łukasz [Institute of Non-Ferrous Metals, ul. Sowinskiego 5, 44-100 Gliwice (Poland); Cesari, Eduard [Department de Física, Universitat de les Illes Balears, Ctra. de Valldemossa, km 7.5, Palma de Mallorca E-07122 (Spain)

2016-08-15

The effect of ball milling and subsequently annealing of melt spun ribbons on magneto-structural transformations in Ni{sub 50}Mn{sub 37.5}Sn{sub 12.5−x}In{sub x} (x=0, 2, 4, 6) ribbons is presented. Short time vibration milling allows to obtain chemically homogenous powders of angular particle shapes and size within 10–50 μm. Milling does not change the characteristic temperatures of martensitic transformation in comparison to the melt spun ribbons. The effect of In substitution for Sn on martensitic transformation has a complex mechanism, associated with electron density change. Substitution of Sn by In in both milled and annealed powders leads to decrease of Curie temperature of austenite and increase of martensitic transformation temperature, stabilizing martensitic phase. The coexistence of magnetic transformation of austenite and martensitic transformation at low magnetic field was observed. The intermartensitic transformation of 4O martensite to L1{sub 0} martensite was observed during cooling at low magnetic field and this was confirmed by TEM microstructure observations. The annealing process of as-milled powders leads to the change of their martensitic structure due to relaxation of internal stresses associated with anisotropic columnar grain microstructure formed during melt spinning process. The level of stresses introduced during milling of ribbons has no significant influence on martensitic transformation. The annealing process of as milled powders leads to enhancement of their magnetic properties, decrease of Curie temperature of austenite, and marginal change of temperature of martenisitic transformation. - Highlights: • Vibration milling of ribbons allows to obtain angular powders of size 10–50 μm. • Vibration milling improves chemical homogeneity of alloys. • Indium addition changes the magneto-structural transformations in Ni–Mn–Sn–In alloys. • Complex character of magneto-structural transformations is visible. • Multistep

The energy band structure of A{sub x}Fe{sub 2}Se{sub 2} (A = K, Rb) superconductors

Energy Technology Data Exchange (ETDEWEB)

Zabidi, Noriza A. [Physics Department, Centre for Defence Foundation Studies, Universiti Pertahanan Nasional Malaysia, Kuala Lumpur 59200 (Malaysia); Azhan, Muhd. Z. [Defence Science Department, Faculty of Defence Science and Technology, Universiti Pertahanan Nasional Malaysia, Kuala Lumpur 59200 (Malaysia); Rosli, A. N. [Faculty of Science and Technology, Universiti Sains Islam Malaysia, Nilai 71800, Negeri Sembilan (Malaysia); Shrivastava, Keshav N. [School of Physics, University of Hyderabad, Hyderabad 500046 (India)

2014-03-05

We study the band structure of antiferromagnetic A{sub x}Fe{sub 2}Se{sub 2} (A = K, Rb) superconductors by using first-principles electronic structure calculations which is density functional theory. In the vicinity of iron-vacancy, we identify the valence electrons of A{sub x}Fe{sub 2}Se{sub 2} will be filled up to the Fermi level and no semiconducting gap is observed. Hence, the A{sub x}Fe{sub 2}Se{sub 2} is a metallic instead of semiconducting which leads to superconductivity in the orbital-selective Mott phase. Similarly, there is non-vanishing density of states at the Fermi level.

Picosecond Water Radiolysis at High Temperature. Br- Oxidation - Experiments and MC-Simulations

International Nuclear Information System (INIS)

Baldacchino, G.; Saffre, D.; Jeunesse, J.P.; Schmidhammer, U.; Larbre, J.P.; Mostafavi, M.; Beuve, M.; Gervais, B.

2012-09-01

Acidic solutions of bromhydric acid have been irradiated by picosecond pulses of 7 MeV-electrons provided by ELYSE accelerator (LCP Orsay). At elevated temperatures up to 350 deg. C, salts like NaBr or KBr usually precipitate and organic compound are decomposed. Another choice of OH-scavenger may be acidic halogenates like HBr or HCl. In this situation, the processes involving H + and Br - must be considerate: while hydrated electrons are scavenged by H + , . OH reacts with Br - . Then the formations of BrOH . and Br 2 .- have been investigated by using a devoted picosecond pump-probe setup. A dedicated small-size high temperature optical flow cell has been developed for fitting the picosecond duration of the electron pulses. This cell replaces the one used also with nanosecond resolution. The picosecond time resolution remains roughly not affected by the material crossed by electrons (0.4 mm of Inconel 718) and by the white light continuum (20 mm of Sapphire windows and 6 mm of liquid solution). Depending on the concentration of HBr, the growing up of the signal can be attributed to mainly BrOH . or Br2 .- . Actually with a relatively low scavenging power ([HBr] = 25 mM), Br 2 .- is formed with a reaction between Br . and Br - which delays of around 4 ns the apparition of Br2 .- . In this particular case we then assume the absorbance is due to BrOH . . With higher and higher temperature, from 100 deg. C to 300 deg. C, the rate constant of this formation is lightly less and less. This observation must be associated to the fact that the formation of BrOH . is actually equilibrium with a lower and lower equilibrium constant value when temperature is increased. This presentation tries to explain this fact in detail by also considering Monte Carlo simulations. This will allows following all transient species from ps to μs. (authors)

Structure and magnetic properties of La{sub 2/3}Sr{sub 1/3}MnO{sub 3}/CaMnO{sub 3} multilayers

Energy Technology Data Exchange (ETDEWEB)

Granada, Mara [Centro Atomico Bariloche and Instituto Balseiro, CNEA-UNC, Av. Bustillo 9500, 8400 San Carlos de Bariloche (Argentina)]. E-mail: granadam@cab.cnea.gov.ar; Sirena, Martin [Centro Atomico Bariloche and Instituto Balseiro, CNEA-UNC, Av. Bustillo 9500, 8400 San Carlos de Bariloche (Argentina); Steren, Laura B. [Centro Atomico Bariloche and Instituto Balseiro, CNEA-UNC, Av. Bustillo 9500, 8400 San Carlos de Bariloche (Argentina); Leyva, Gabriela [Depto. de Fisica, Centro Atomico Constituyentes, CNEA, Av. Gral. Paz y Constituyentes, 1650 San Martin (Argentina)

2004-12-31

Structural and magnetic properties of manganite-based multilayers, La{sub 2/3}Sr{sub 1/3}MnO{sub 3}/CaMnO{sub 3}, composed of ferromagnetic metals and antiferromagnetic insulator barriers are investigated in this work. Compounds of similar lattice parameters were used to build the samples, so we expect an excellent stacking of the different layers along the structure. To get a first insight of this system, the crystalline structure of a series of samples, grown on (1 0 0) SrTiO{sub 3} and (1 0 0) MgO single-crystalline substrates, has been studied. X-ray diffraction patterns show that the structure is strongly textured in the (1 0 0) direction when grown on SrTiO{sub 3}, regardless the composition of the bottom layer. A different result is found on the same system grown on MgO: when the buffer layer is CaMnO{sub 3}, the structure grows in the (1 1 0) orientation while it grows in the (1 0 0) direction when the bottom layer is La{sub 2/3}Sr{sub 1/3}MnO{sub 3}. Magnetic coupling of the ferromagnetic layers across the antiferromagnetic spacer has been studied with magnetization measurements.

Crystal structures and magnetic properties of iron (III)-based phosphates: Na{sub 4}NiFe(PO{sub 4}){sub 3} and Na{sub 2}Ni{sub 2}Fe(PO{sub 4}){sub 3}

Energy Technology Data Exchange (ETDEWEB)

Essehli, Rachid, E-mail: rachid_essehli@yahoo.fr [Laboratory of Mineral Solid and Analytical Chemistry ' LCSMA' , Department of Chemistry, Faculty of Sciences, University Mohamed I, Po. Box 717, 60000 Oujda (Morocco); Bali, Brahim El [Laboratory of Mineral Solid and Analytical Chemistry ' LCSMA' , Department of Chemistry, Faculty of Sciences, University Mohamed I, Po. Box 717, 60000 Oujda (Morocco); Benmokhtar, Said [LCMS, Laboratoire de Chimie des Materiaux Solides, Departement de chimie, Faculte des Sciences Ben M' SIK, Casablanca (Morocco); Bouziane, Khalid [Physics Department, College of Science, Sultan Qaboos University, PO Box 36, Postal Code 123 Al Khod, Sultanate of Oman (Oman); Manoun, Bouchaib [Laboratoire de Physico-Chimie des Materiaux, Departement de Chimie, FST Errachidia, University Moulay Ismail, B.P. 509 Boutalamine, Errachidia (Morocco); Abdalslam, Mouner Ahmed [Materials Science, Technical University Darmstadt, Darmstadt (Germany); Ehrenberg, Helmut [IFW Dresden, Helmholtzstr. 20, D-01069 Dresden (Germany)

2011-01-28

Graphical abstract: A perspective view of the Na{sub 2}Ni{sub 2}Fe(PO{sub 4}){sub 3} structure along the [0 0 1] direction. Both compounds seem to exibit antiferromagnetic interactions between magnetic entities at low temperature. Display Omitted Research highlights: > Nasicon and Alluaudite compounds, Iron(III)-based phosphates, Crystal structures of Na{sub 4}NiFe(PO{sub 4}){sub 3} and Na{sub 2}Ni{sub 2}Fe(PO{sub 4}){sub 3}. > Magnetism behaviours of Na{sub 4}NiFe(PO{sub 4}){sub 3} and Na{sub 2}Ni{sub 2}Fe(PO{sub 4}){sub 3}. > Antiferromagnetism interactions. > Mossbauer spectroscopy. - Abstract: Crystal structures from two new phosphates Na{sub 4}NiFe(PO{sub 4}){sub 3} (I) and Na{sub 2}Ni{sub 2}Fe(PO{sub 4}){sub 3} (II) have been determined by single crystal X-ray diffraction analysis. Compound (I) crystallizes in a rhombohedral system (S. G: R-3c, Z = 6, a = 8.7350(9) A, c = 21.643(4) A, R{sub 1} = 0.041, wR{sub 2}=0.120). Compound (II) crystallizes in a monoclinic system (S. G: C2/c, Z = 4, a = 11.729(7) A, b = 12.433(5) A, c = 6.431(2) A, {beta} = 113.66(4){sup o}, R{sub 1} = 0.043, wR{sub 2}=0.111). The three-dimensional structure of (I) is closely related to the Nasicon structural type, consisting of corner sharing [(Ni/Fe)O{sub 6}] octahedra and [PO{sub 4}] tetrahedra forming [NiFe(PO{sub 4}){sub 3}]{sup 4+} units which align in chains along the c-axis. The Na{sup +} cations fill up trigonal antiprismatic sites within these chains. The crystal structure of (II) belongs to the alluaudite type. Its open framework results from [Ni{sub 2}O{sub 10}] units of edge-sharing [NiO{sub 6}] octahedra, which alternate with [FeO{sub 6}] octahedra that form infinite chains. Coordination of these chains yields two distinct tunnels in which site Na{sup +}. The magnetization data of compound (I) reveal antiferromagnetic (AFM) interactions by the onset of deviations from a Curie-Weiss behaviour at low temperature as confirmed by Moessbauer measurements performed at 4.2 K. The

Electronic structures of (Pb sub 2 Cu)Sr sub 2 Eu sub x Ce sub n sub - sub x Cu sub 2 O sub 2 sub n sub + sub 6 (n=2, 3): Effect of fluorite blocks between adjacent CuO sub 2 layers

CERN Document Server

Arai, M

2003-01-01

The electronic structures of (Pb sub 2 Cu)Sr sub 2 Eu sub x Ce sub n sub - sub x Cu sub 2 O sub 2 sub n sub + sub 6 (n = 2, 3) compounds which have fluorite blocks between two adjacent CuO sub 2 layers have been studied by using ab-initio method. It is found that the anisotropy is enhanced by inserting the fluorite blocks. The Fermi velocity perpendicular to the CuO sub 2 layers decreases as the thickness of fluorite blocks increases. The Eu substitution is found to affect both the atomic positions and electronic structures. The distance between apical oxygen and copper becomes shorter by the Eu substitution. The energy bands derived from oxygens in the fluorite blocks approach Fermi energy as the content of Eu substitution increases. (author)

Formation of laser-induced periodic surface structures (LIPSS) on tool steel by multiple picosecond laser pulses of different polarizations

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Gregorčič, Peter, E-mail: peter.gregorcic@fs.uni-lj.si [Faculty of Mechanical Engineering, University of Ljubljana, Aškerčeva 6, 1000 Ljubljana (Slovenia); Sedlaček, Marko; Podgornik, Bojan [Institute of Metals and Technology, Lepi pot 11, 1000 Ljubljana (Slovenia); Reif, Jürgen [Brandenburgische Technische Universitaet – BTU Cottbus-Senftenberg, Platz der Deutschen Einheit 1, 03046 Cottbus (Germany)

2016-11-30

Highlights: • Low number of differently polarized ps laser pulses is superimposed on tool steel. • Last pulses determine the ripples orientation for single spot and coherent traces. • Previously formed structures are overridden by later incident pulses. • Ripples contrast depends on total exposure, independent on pulses’ polarization. • Weak role of pre-formed structures makes interference scenarios questionable. - Abstract: Laser-induced periodic surface structures (LIPSS) are produced on cold work tool steel by irradiation with a low number of picosecond laser pulses. As expected, the ripples, with a period of about 90% of the laser wavelength, are oriented perpendicular to the laser polarization. Subsequent irradiation with the polarization rotated by 45° or 90° results in a corresponding rotation of the ripples. This is visible already with the first pulse and becomes almost complete – erasing the previous orientation – after as few as three pulses. The phenomenon is not only observed for single-spot irradiation but also for writing long coherent traces. The experimental results strongly defy the role of surface plasmon-polaritons as the predominant key to LIPSS formation.

Preparation and crystal structure of Ca/sub 4/Sb/sub 2/O

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Eisenmann, B; Limartha, H; Schaefer, H; Graf, H A

1980-12-01

The formerly described compound Ca/sub 2/Sb is to be corrected to Ca/sub 4/Sb/sub 2/O as shown by X-ray diffractometer data of single crystals and neutron diffraction diagrams of powders. The compound crystallizes in the K/sub 2/NiF/sub 4/ type structure.

Structural and electrical properties of La{sub 0.5}Ca{sub 0.5}Mn{sub 0.95}Fe{sub 0.05}O{sub 3+{delta}} perovskite

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Mohamed, E.A., E-mail: emanattamohammed@yahoo.com [Department of Physics, Faculty of Science (Girl' s Branch), Al Azhar University, Nasr City, Cairo (Egypt)

2012-12-05

Highlights: Black-Right-Pointing-Pointer La{sub 0.5}Ca{sub 0.5}Mn{sub 0.95}Fe{sub 0.05}O{sub 3+{delta}} synthesis has been achieved by co-precipitation process. Black-Right-Pointing-Pointer Moessbauer results show an evidence for the local distortion of Mn(Fe)O{sub 6} octahedron. Black-Right-Pointing-Pointer Metal-Semiconductor transition temperature (T{sub p}) is observed. - Abstract: La{sub 0.5}Ca{sub 0.5}Mn{sub 0.95}Fe{sub 0.05}O{sub 3+{delta}} was synthesized by co-precipitation method. The structure refinement by using the Rietveld method indicates that the sample was single phase with the presence of small impurities (Mn{sub 3}O{sub 4}) and crystallizes in an orthorhombic (Pbmn) structure. The room temperature (RT) Moessbauer spectrum shows clear evidence of the local structural distortion of the Mn(Fe)O{sub 6} octahedron on the basis of non-zero nuclear quadrupole interactions for high-spin Fe{sup 3+} ions. The Jahn-Teller coupling strength (E{sub JT}) was estimated from the Moessbauer results. Metal-Semiconductor transition temperature (T{sub p}) is observed at 80 K. At high temperature (T{sub P} < T < {theta}{sub D}/2) conductivity data satisfy the variable range hopping (VRH) model. For T > {theta}{sub D}/2 the small polaron hopping model is more appropriate than the VRH model.

Structural, mechanical, and electronic properties of monoclinic N{sub 2}H{sub 5}N{sub 3} under pressure

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Qi-Jun, Liu; Fu-Sheng, Liu, E-mail: qijunliu@home.swjtu.edu.cn [School of Physical Science and Technology, Southwest Jiaotong University, Key Laboratory of Advanced Technologies of Materials, Ministry of Education of China, Chengdu (China); Bond and Band Engineering Group, Sichuan Provincial Key Laboratory (for Universities) of High Pressure Science and Technology, Southwest Jiaotong University, Chengdu (China); Zheng-Tang, Liu [State Key Laboratory of Solidification Processing, School of Materials Science and Engineering, Northwestern Polytechnical University, Xi' an, (China)

2015-08-15

Structural, elastic, mechanical, and electronic properties of monoclinic N{sub 2}H{sub 5}N{sub 3} at zero and high pressure have been investigated using the plane-wave ultrasoft pseudopotential method within the density-functional theory (DFT). The pressure dependences of structural parameters, elastic constants, mechanical properties, band gaps, and density of states of monoclinic N{sub 2}H{sub 5}N{sub 3} have been calculated and discussed. The obtained results show that monoclinic N{sub 2}H{sub 5}N{sub 3} is unstable at pressures exceeding the value 126.1 GPa. The ratio of B/G and the Cauchy’s pressure indicate that monoclinic N{sub 2}H{sub 5}N{sub 3} behaves in ductile nature with pressure ranging from 0 to 200 GPa. (author)

Synthesis, structural and electrical properties of [C{sub 2}H{sub 10}N{sub 2}][(SnCl(NCS){sub 2}]{sub 2}

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Karoui, Sahel [Laboratoire genie de materiaux et environnement, ENIS, BP.1173,3038- Sfax, Universite de Sfax (Tunisia); Kamoun, Slaheddine, E-mail: slah.kamoun@gmail.com [Laboratoire genie de materiaux et environnement, ENIS, BP.1173,3038- Sfax, Universite de Sfax (Tunisia); Jouini, Amor [Laboratoire de Chimie du Solide, Departement de Chimie, Faculte des Sciences de Monastir, 5019 Monastir (Tunisia)

2013-01-15

Synthesis, structural and electrical properties are given for a new organic stannous pseudo halide material. The structure of the [C{sub 2}H{sub 10}N{sub 2}][(SnCl(NCS){sub 2}]{sub 2} reveals that the adjacent Sn(II) centres are bridged by a pair of SCN{sup -} anions to form a 1-D array giving rise to the anionic chains (SnCl(NCS){sub 2}){sub n}{sup n-}. These chains are themselves interconnected by means of N-H Horizontal-Ellipsis Cl(S) hydrogen bonds originating from the organic cation [(NH{sub 3}){sub 2}(CH{sub 2}){sub 2}]{sup 2+}. The AC impedance measurements were performed as a function of both frequency and temperature. The electrical conduction and dielectric relaxation have been studied. The activation energy associated with the electrical relaxation determined from the electric modulus spectra was found close to that of the activation energy obtained for DC conductivity. The conduction mechanisms are attributed to the quantum mechanical tunneling model in phase I and to the proton hopping among hydrogen vacancies in phase II. - Graphical abstract: Atomic coordination in [C2H10N2][SnCl(NCS)2)2]. Highlights: Black-Right-Pointing-Pointer X-ray diffraction analysis shows the 1D network character of the structure. Black-Right-Pointing-Pointer DSC experiments show a phase transition at 336 K. Black-Right-Pointing-Pointer The AC conductivity is interpreted in terms of Jonsher's law. Black-Right-Pointing-Pointer Two conduction mechanisms are proposed for phase I and II.

Preparation and crystal structure of the phosphato-niobate Tl sub 3 NaNb sub 4 O sub 9 (PO sub 4 ) sub 2

Energy Technology Data Exchange (ETDEWEB)

Fakhfakh, M. (Tunis Univ. (Tunisia). Faculte des Sciences); Verbaere, A. (Nantes Univ., 44 (France)); Jouini, N. (Ecole Normale Superieure de l' Enseignement Technique, Tunis (TN))

1992-01-01

Chemical preparation and crystal structure are described. The symmetry is orthorhombic, space group C2cm. The crystal structure has been determined using. The structure is built up from NbO{sub 6} octahedra sharing corners and PO{sub 4} tetrahedra sharing three of their corners with octahedra to form chains running along c. These chains are connected together by isolted NbO{sub 6} octahedra leasing to a three-dimensional framework which delimits cavities and tunnels occupied by the Tl and Na ions.

High-pressure synthesis and crystal structures of the strontium oxogallates Sr{sub 2}Ga{sub 2}O{sub 5} and Sr{sub 5}Ga{sub 6}O{sub 14}

Energy Technology Data Exchange (ETDEWEB)

Kahlenberg, Volker, E-mail: volker.kahlenberg@uibk.ac.at [Institute of Mineralogy and Petrography, University of Innsbruck, Innrain 52, Innsbruck A-6020 (Austria); Goettgens, Valerie; Mair, Philipp; Schmidmair, Daniela [Institute of Mineralogy and Petrography, University of Innsbruck, Innrain 52, Innsbruck A-6020 (Austria)

2015-08-15

High-pressure synthesis experiments in a piston–cylinder apparatus at 1.5 GPa/3.0 GPa and 1000 °C resulted in the formation of single-crystals of Sr{sub 2}Ga{sub 2}O{sub 5} and Sr{sub 5}Ga{sub 6}O{sub 14}, respectively. The structures of both compounds have been solved from single-crystal diffraction data sets using direct methods. The first compound is orthorhombic with space group type Pbca (a=10.0021(4) Å, b=9.601(4) Å, c=10.6700(4) Å, V=1024.6(4) Å{sup 3}, M{sub r}=394.68 u, Z=8, D{sub x}=5.12 g/cm{sup 3}) and belongs to the group of single layer gallates. Individual sheets are parallel to (0 0 1) and can be built from the condensation of unbranched vierer single chains running along [0 1 0]. The layers are characterized by the presence of four- and strongly elliptical eight-membered rings of corner connected tetrahedra in UUDD and UUUUDDDD conformation. Strontium atoms are sandwiched between the tetrahedral layers for charge compensation and are coordinated by six and seven oxygen ligands, respectively. Sr{sub 2}Ga{sub 2}O{sub 5} is isotypic with several other double sulfides and selenides. To the best of our knowledge, it is the first example of an oxide with this structure type. From a structural point of view, Sr{sub 5}Ga{sub 6}O{sub 14} is a phyllogallate as well. The crystal structure adopts the monoclinic space group P2{sub 1}/c (a=8.1426(3) Å, b=8.1803(3) Å, c=10.8755(4) Å, β=91.970(4)° V=723.98(5) Å{sup 3}, M{sub r}=1080.42 u, Z=2, D{sub x}=4.96 g/cm{sup 3}). Individual sheets extend along (0 0 1). Basic building units are unbranched dreier single chains parallel to [1 0 0]. The layers contain tertiary (Q{sup 3}) und quaternary (Q{sup 4}) connected [GaO{sub 4}]-tetrahedra in the ratio 2:1 resulting in a Ga:O ratio of 3:7 and the formation of exclusively five-membered rings. Linkage between adjacent tetrahedral sheets is provided by three symmetrically independent strontium ions which are surrounded by six to eight oxygen atoms. The layers

Synthesis and structural characterization of the hexagonal anti-perovskite Na{sub 2}CaVO{sub 4}F

Energy Technology Data Exchange (ETDEWEB)

Green, Robert L., E-mail: rgreen@flpoly.org [Chemistry, Florida Polytechnic University, Lakeland, FL 33805 (United States); Avdeev, Maxim [Australian Science and Technology Organisation, Locked Bag 2001, Kirrawee DC, NSW 2232 (Australia); School of Chemistry, The University of Sydney, Sydney, NSW 2006 (Australia); Vogt, Thomas [NanoCenter and Department of Chemistry and Biochemistry, University of South Carolina, Columbia, SC 29208 (United States)

2017-06-15

The structural details of the ordered hexagonal oxyfluoride Na{sub 2}CaVO{sub 4}F prepared by solid-state synthesis using stoichiometric amounts of V{sub 2}O{sub 5}, CaCO{sub 3}, Na{sub 2}CO{sub 3} and NaF were characterized using high-resolution neutron powder diffraction. The structural changes between 25 °C and 750 °C revealed that the two structural subunits in this material behave different when heated: there is an expansion of the face-shared FNa{sub 4}Ca{sub 2} octahedra while the VO{sub 4} tetrahedra due to increased thermal disorder reveal marginal bond contractions. Bond valences and the global instability index point to significant structural disorder at 750 °C. - Graphical abstract: The structure of the novel oxyfluoride Na{sub 2}CaVO{sub 4}F is studied at room temperature and high-temperatures. The structure can be viewed as layers of compression and elongation of polyhedral subunits, which change as a function of temperature. - Highlights: • The novel oxyfluoride, Na{sub 2}CaVO{sub 4}F, is synthesized via solid-state method. • High-resolution neutron diffraction data is used to analyze the structure of Na{sub 2}CaVO{sub 4}F. • Structural subunits exhibit expansion and contraction with increasing temperature. • Higher temperatures increase instability within the structure of Na{sub 2}CaVO{sub 4}F.