CERN Document Server

We review the interplay of frustration and strong electronic correlations in quasi-two-dimensional organic charge transfer salts, such as k-(BEDT-TTF)_2X and Et_nMe_{4-n}Pn[Pd(dmit)2]2. These two forces drive a range of exotic phases including spin liquids, valence bond crystals, pseudogapped metals, and unconventional superconductivity. Of particular interest is that in several materials there is a direct transition as a function of pressure from a spin liquid Mott insulating state to a superconducting state. Experiments on these materials raise a number of profound questions about the quantum behaviour of frustrated systems, particularly the intimate connection between spin liquids and superconductivity. Insights into these questions have come from a wide range of theoretical techniques including first principles electronic structure, quantum many-body theory and quantum field ...

British Library Electronic Table of Contents (United Kingdom)

A suite of numerical experiments is conducted to extend our previous studies to explore the effects of linear, ambient wind shear on simulated mammatus-like clouds. Increasing values of unidirectional shear result in banded cloud bases, and for the strongest shears roll-type quasi-two-dimensional convection results rather than three-dimensional lobe morphology. Two observed soundings were used, and the sounding with a drier, shallower sub-cloud layer appeared to be most strongly affected by the presence of the ambient shear. The drier sounding also had less snow in the mammatus lobes owing to sublimation. Copyright Copyright 2009 Royal Meteorological Society

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We study two correlated electrons in a nearest-neighbour tight-binding chain, with both on-site and nearest-neighbour interaction. Both the cases of parallel and antiparallel spin are considered. In addition to the free electron band for two electrons, there are correlated bands with positive or negative energy, depending on whether the interaction parameters are repulsive or attractive. Electrons form bound states, with amplitudes that decay exponentially with separation. Conditions for such states to be filled at low temperatures are discussed.

International Nuclear Information System (INIS)

Atoms in very high Rydberg states, 100 approx-lt n approx-lt 1100, are used to investigate electron-molecule interactions at electron energies extending down to a few microelectronvolts. At such energies the cross section for electron capture by CCl_4 is observed to vary inversely with electron velocity, indicative of an s-wave process. Studies with the polar target CH_3Cl suggest that dipole-supported states may be important in inelastic electron-polar molecule scattering at very low electron energies.

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...of this article he quotes um i am told by my english ...

International Nuclear Information System (INIS)

... bcs theory electron reactions excited states form factors inelastic scattering

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The existence of a narrow peak of electron state density in A-15 is explained by a strong electron-phonon interaction that brings about the polaron narrowing of zone. In the supposition of weak and intermediate bond, the analytical expression for the critical transition temperature is found that corre lates Tsub(c) with phonon spectrum. The model permits to explain Tsub(c) correlation with the number of electrons per atom, temperature direction of resistance, value and temperature dependence of magnetic susceptibility and electron thermal capacity.

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An alkali-like ion interaction with inner electrons of an alkali-like ion leads to a significant increase in the photoionization cross section of the outer s electron. This occurs not only for ground-state ions with one s electron in the outer shell, but also when the outer s electron is in an excited state. The reason for this amplification, in addition to coherent enhancement in summing of the correlation amplitudes, is that the zero in the direct amplitude occurs below threshold. This leads to a constructive interference with the correlation amplitude above the photoionization threshold, in contrast to a destructive interference in the case of a neutral atom with the same electronic configuration, for which the zero occurs above threshold. Results of this research were published.

International Nuclear Information System (INIS)

Bulk electronic properties and photoelectron spectra of UNiAl and UPdSn are discussed in terms of varying degree of the localization of 5f states. For UPdSn with #gamma#=5 mJ/mol K"2, localized 5f states can be expected, but photoemission shows still the presence of 5f states at E_F. (orig.).

International Nuclear Information System (INIS)

Using the slow electrons spectrometer one can get information on the surface structure, its element composition, chemical bonds, adsorption phenomena, electron state density and surface oscillation. We have developed the methods and created the apparatus that makes it possible to investigate the electron backscattering by solid surface. We have studied the electron scattering by the polycrystalline and monocrystalline. GaAs surface in the energy range of 0 to 9 eV. The FWHM of electron energy distribution function was 70 meV. (author).

Energy Technology Data Exchange (ETDEWEB)

We numerically constructed elementary phase-correct global quantum gates by using molecular electronic and vibrational states to encode two qubits and implement the Deutsch-Jozsa algorithm. The calculations were based on optimal control theory (OCT). The molecular species we chose were Na{sub 2} and Li{sub 2}. The electronic X{sup 1}{sigma}{sub g}{sup +} and A{sup 1}{sigma}{sub u}{sup +} states were taken as two orthonormalized energy levels of the electronic qubit. The vibrational qubits were those involved in these electronic states. The time duration of the optimized pulses with high fidelity was typically 500-900 fs, which reflects the wavepacket dynamics in electronically ground and excited states. When implementing the Deutsch-Jozsa algorithm by combining these elementary gates, we obtained a ...

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Semiconductor nanocrystals smaller than the bulk exciton show substantial quantum confinement effects. Recent experiments including Stark effect, resonance Raman, valence band photoemission, and near edge X-ray adsorption will be used to put together a picture of the nanocrystal electronic states.

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

Absolute, cascade-free excitation cross sections in an ion have been measured for the resonance "2S#->#"2P transition in Zn"+ using electron-energy-loss and merged electron-ion beams methods. Measurements were carried out at electron energies of below threshold to 6 times threshold. Comparisons are made with 2-, 5-, and 15-state close-coupling and distorted-wave theories. There is good agreement between experiment and the 15-state close-coupling cross sections over the energy range of the calculations.

International Nuclear Information System (INIS)

We present a new aspect of superconductivity in A-15 compounds which is able to explain their exceptional role among the high Tc superconductors. The basic idea is that a strong energy dependence of the the electronic density of states near the Fermi level may greatly reduce the repulsive part of the frequency dependent electron-phonon interaction. This leads to a large enhancement of Tc which is a maximum when the Fermi energy is comparable to a typical phonon energy. Our findings are based on numerical solutions of the Eliashberg equations where both the retardation of the electron-phonon coupling and the energy dependence of the electronic density of states have been included. For the electronic density of states we use the models of Labbe and Friedel and of Cohen et al., while the shape of the Eliashberg function ...

British Library Electronic Table of Contents (United Kingdom)

Purpose Study the radiolysis of solid-state metoclopramide hydrochloride at various absorbed doses. Elucidate the structure of the degradation products to gain information on the radiolysis mechanisms. Methods Solid-state metoclopramide samples were irradiated at several doses with gamma rays and high-energy electrons to evaluate the influence of the dose rate. High-performance liquid chromatography with a diode array detector was used to measure the chemical potency as a function of the absorbed dose and to quantify the degradation products. The characterization of degradation products was performed by liquid chromatography/atmospheric pressure chemical ionization/tandem mass spectrometry. Results The degradation of solid-state metoclopramide after irradiation was negligible. No qualitati...

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The existence of a narrow peak in the electronic density of states in A-15 compounds is explained by a strong electron--phonon interaction that leads to the polaron narrowing of the band. An analytic expression relating the transition temperature T/sub c/ to the phonon spectrum is derived under the assumption of a weak and an intermediate-strength coupling. The model allows the explanation of the correlation of T/sub c/ with the number of electrons per atom, the temperature dependence of the resistance, the magnitude and temperature dependence of the magnetic susceptibility, and the electronic specific heat.

International Nuclear Information System (INIS)

The electron scattering form factor for excitation of the 1"+ state of "8"8Sr at 3.486 MeV has been calculated in the quasiparticle random phase approximation (QRPA). The disagreement between the data and restricted shell-model calculations can be explained in terms of the pairing correlations introduced by the QRPA; no #DELTA#-h admixtures are required. (orig.).

British Library Electronic Table of Contents (United Kingdom)

In order to obtain the electronic structure of leucine (Leu) in aqueous solution, we studied three systems: Leu+7H2O, Leu+8H2O and Leu+9H2O. The results indicated that the system Leu+8H2O was the only choice which was both acceptable and doable: its computational effort was affordable, and it could simulate a main part of the solvent effect on the electronic structure of Leu in solution. Based on the system Leu+8H2O, all-electron, ab initio calculations were performed to construct an equivalent potential of water for the electronic structure of Leu with dipoles. The results showed that the main effect of water on the electronic structure of Leu was raising the occupied states about 0.0824 Ry on average, and broadening the energy gap by 11%. The water effect on the electronic structure of L...

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This paper deals with the electronic structure of ruthenium. Synchrotron radiation in the range from 15 to 45 eV and angle-resolved ultraviolet photoemission are used to map the energies of the electronic states. The Fermi surface of Ru is determined using angle-resolved ultraviolet photoemission spectroscopy. The experimental results are compared with calculated photoemission spectra obtained within the framework of the one-step model of photoemission. (author)

International Nuclear Information System (INIS)

The electronic structure of UPd_3 has been determined by means of XPS and BIS experiments. The core level line shapes and the valence band spectra of occupied and empty states clearly reveal the localized character of the 5f electrons in this actinide compound. From these spectra their Coulomb correlation energy is found to be about 2 eV. (author).

Science.gov (United States)

Cross sections for excitation induced by electron collision between low-lying 1s{sup 2}2s{sup 2}2p{sup 5} and 1s{sup 2}2s2p{sup 6} states of f-like selenium and from these states to singly excited states with the excited electron occupying the M shell have been calculated by relativistic distorted-wave Born procedures. The GRASP{sup 2} code was used for the atomic structure calculations. The continuum orbitals for the construction of continuum states were computed in the distorted-wave approximation, in which the distorted-wave potential used was the spherically averaged potential of the nucleus plus the potential of the bound electrons of the bound state. The cross sections for excitations were computed first by a 233-level multiconfiguration Dirac-Fock (MCDF) configuration expansion and then by a 279-level MCDF ...

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Presently, most charge state distributions produced with highly charged ion sources are predicted with models that approximate the ionization process with the Lotz formula. The Lotz ionization cross sections decrease approximately geometrically with increasing charge state except for ions with very few vacancies, for ions with very few electrons, and for electron impact energies which barely exceed the ionization energy. The geometrical decrease causes these models to predict a maximum abundance for most of the charge states, which is only weakly dependent on the charge state. Experimental results, however, yield much higher abundances for ions with an empty M shell than ions with a partly filled M shell. This difference is explained with indirect ionization processes that are neglected by the Lotz approximation, and normally can be neglected for the ionization ...

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The ElectroScan environmental scanning electron microscope (ESEM) is one of the most exciting new developments in the field of Electron Microscopy. The ESEM differs from conventional Scanning Electron Microscopes (SEM) by being able to examine materials including liquids and oils in their natural state with no prior sample preparation. Accessory equipment, cooling, heating and manipulating devices allow the manipulation of samples thus making it possible for the first time to image dynamic processes such as wetting, drying, absorption, corrosion, melting, crystallisation, curing and fracturing at high magnification. Papers concerning the historical development of the ESEM are given in a bibliography at the end of this paper. 24 refs., 18 figs.

International Nuclear Information System (INIS)

We theoretically model a nuclear-state preparation scheme that increases the coherence time of a two-spin qubit in a double quantum dot. The two-electron system is tuned repeatedly across a singlet-triplet level-anticrossing with alternating slow and rapid sweeps of an external bias voltage. Using a Landau-Zener-Stueckelberg model, we find that in addition to a small nuclear polarization that weakly affects the electron spin coherence, the slow sweeps are only partially adiabatic and lead to a weak nuclear spin measurement and a nuclear-state narrowing which prolongs the electron spin coherence. This resolves some open problems brought up by a recent experiment. We also show that the electronic two-spin states singlet and triplet T_+ are promising candidates for the implementation of a qubit in GaAs double quantum dots (DQD). A coherent ...

International Nuclear Information System (INIS)

Studies of collisions between Rydberg atoms with values of principal quantum number n in the range 100 approx-lt n approx-lt 400 and H_2S and C_6H_5NO_2 are reported. These targets were selected because they have very different dipole moments: 0.97 and 4.22 D, respectively. Analysis of the data using the essentially-free-electron model shows that at micro-electron-volt energies the cross sections for rotationally inelastic electron scattering by these targets have very different energy dependences. This difference suggests that, in the case of C_6H_5NO_2, dipole-supported states might be important in the scattering. To examine this further, the data are compared with the results of calculations using a free-electron cross section that assumes the presence of dipole-supported states, and it is demonstrated that, with a reasonable choice of parameters, it is ...

International Nuclear Information System (INIS)

A self-consistent pseudopotential method together with a mixed-basis set of plane waves and Gaussian orbitals are used to determine the electronic structure of the (001) surface of molybdenum. The pseudopotential is derived from a self-consistent calculation of the atomic levels and wave functions, and is tested for bulk molybdenum. The resulting bulk band structure and density of states are compared with existing augmented-plane-wave APW calculations. The same potential is applied to investigate the electronic structure of an uncontracted Mo (001) surface. A complete analysis of the surface states is given in terms of their distribution in the two-dimensional surface Brillouin zone, charge-density distribution, and the local density of states. The results are in very good agreement with recent photoemission measurements.

British Library Electronic Table of Contents (United Kingdom)

Many important advances in the physics of strongly correlated electron systems have been driven by the development of new materials: for instance the filled skutterudites Formula Not Shown ( Formula Not Shown metal, alkaline earth, lanthanide, or actinide; Formula Not Shown , Ru, or Os; Formula Not Shown , As, or Sb), certain lanthanide and actinide intermetallic compounds such as Formula Not Shown and Formula Not Shown ( Formula Not Shown , Rh, or Ir), and layered oxypnictides and related materials. These types of complex multinary d- and f-electron compounds have proven to be a vast reservoir of novel strongly correlated electron ground states and phenomena. In these materials, the occurrence of such a wide range of ground states and phenomena arises from a delicate interplay between com...

Science.gov (United States)

Electron charge distributions are presented for Nb3Ge, Nb3Al, and two hypothetical A-15 structures. Results indicate that the bonding in these materials is mainly metallic in character with some covalentlike bonding between Nb-chain atoms. We find significant coupling between neighboring chains and also between chain atoms and atoms at the cubic site. Comparison is made with various theoretical models. Investigation of the charge character of states near EF suggests further developments in current theories on the structural transformation of A-15 compounds. The effect of chain dimerization on electronic states and charge distribution of Nb3Ge is also investigated.

CERN Document Server

The effects of strong Coulomb correlations in dense three-dimensional electron-hole plasmas are studied by means of unbiased direct path integral Monte Carlo simulations. The formation and dissociation of bound states, such as excitons and bi-excitons is analyzed and the density-temperature region of their appearance is identified. At high density, the Mott transition to the fully ionized metallic state (electron-hole liquid) is detected. Particular attention is paid to the influence of the hole to electron mass ratio $M$ on the properties of the plasma. Above a critical value of about M=80 formation of a hole Coulomb crystal was recently verified [Phys. Rev. Lett. {\\bf 95}, 235006 (2005)] which is supported by additional results. Results are related to the excitonic phase diagram of intermediate valent Tm[Se,Te], where large values of $M$ have been observed experimentally.

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The proposed short wavelength coherent light source driven by the SLAC 3 km linac might be used to induce transitions between nuclear isomeric states. If an isotope were found with energetically adjacent isomeric states, one short-lived and one long-lived, and it were possible to separate and concentrate the long-lived species, and other nuclear and solid-state parameters were favorable, it might be possible to convert sufficient population to the short-lived state to realize [gamma]-ray lasing. Even if the x-ray intensity were insufficient, study of such driven transitions would be quite valuable.

UK PubMed Central (United Kingdom)

ObjectiveThis report provides updated estimates on use of electronic medical records (EMRs) in US home health and hospice (HHH) agencies, describes utilization of EMR functionalities,...Full Text Available

Science.gov (United States)

THEMIS-A: The Solid State Telescope (SST) measures the incoming intensity ... units (heads), each SST unit has two pairs of opposing ion and electron sensors. .... The five small satellites were launched together on a Delta II rocket and they ...

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During the past 3 years, progress was made in elucidating the excited state structures of Pt(diimine)(dithiolate) complexes, while more recent efforts focused on the photochemistry of these complexes and electronic structure of other dithiolate systems. A carbonyl-Ir-maleonitrile dithiolate complex is also studied.

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Two novel organic n-type semiconductors are investigated due to their function as electron acceptor for applications in organic electronic devices to widen the knowledge of how molecule structure influences the excitation processes in organic electronics. Bispyrenylfullerene and Octadecyl-Capronacidesterfullerene are C{sub 60} derivates with sidechains more featured compared to the commonly used[6,6] phenyl-C{sub 61}-butyric acid methyl ester (PCBM). In bulk heterojunction devices regioregular poly(3-hexylthiophene) (P3HT) was used as donor. The materials, pristine and in blend, were studied in view of light absorption, their quenching abilities of the P3HT photoluminescence as well as excited states. Furthermore, the spin state of the excited states was determined by light-induced electron spin resonance. Combining these complimentary ...

International Nuclear Information System (INIS)

The energy bands and the nature of the conduction electrons have been studied for three intermetallic compounds of dysprosium. e.g., DyZn, DyCu and DyRh, following the augmented plane wave method. Density of states results are given and have implications for the stability of the structure of the intermetallic compounds of dysprosium. The charge densities and the number of conduction electrons inside and outside the APW spheres in each of these compounds are calculated; it is shown that the character of conduction electrons within the Dy APW sphere is principally of d type for all the compounds. The consequence of the predominance of d electron in the conduction bands on the various physical parameters is discussed. (author).

International Nuclear Information System (INIS)

The electron-phonon spectral distribution function #alpha#"2(#omega#) F (#omega#) has been calculated for niobium. The electron energy bands and wave functions were obtained from a self-consistent augmented-plane-wave muffin-tin potential, and the electron-phonon matrix elements were evaluated using the so-called rigid-ion approximation. With this approximation it is found that #alpha#"2(#omega#) is constant over the whole energy spectrum. The electron-phonon mass enhancement has also been calculated for local regions of the Fermi surface and found to be anisotropic. The calculated local values of the enhancement do not agree with experimental values available for different orbits from de Haas--van Alphen measurements. The discrepancy seems to arise because the bare-rigid-ion matrix elements are relatively small between states with nearly pure l = 2 character.

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The form factor for excitation of the 1/sup +/ state at 3.48 MeV in /sup 88/Sr by inelastic electron scattering has been measured for momentum transfers q = 0.24-0.62 fm/sup -1/. Neither its magnitude nor shape can be described employing the best available nuclear wave functions. We demonstrate with a schematic model that the observed reduction of the form factor may be understood by taking into account a renormalization of the M1-operator due to virtual ..delta..-hole excitations.

International Nuclear Information System (INIS)

The magnetic susceptibility of single and polycrystalline samples of the A-15 compounds (Vsub(1-x)Crsub(x))_3Si (0 <= x <= 1) is measured at temperatures between 4.2 and 320 K. The magnitude and the temperature dependence of the susceptibility diminish with increasing Cr concentration. Applying a peak model for the density of electronic states it is found that the change of the temperature dependence of the susceptibility with increasing Cr concentration is caused mainly by broadening of the peak in the density of electronic states. (author).

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When energetic heavy ions traverse a medium, the amount of energy deposited by the ions is closely related to their effective charges. The charge-state fractions of these beams are obtained by solving rate equations for the electron loss and capture processes. By assuming local balance between electron loss and capture, the charge-state distributions, the averge equilibrium charge q, and other properties are obtained as functions of the incident beam velocity. The LET (linear energy transfer) of Ne and Ar ions with energies between 0.01 and 100 MeV/amu is calculatedted using their average equilibrium charge.

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The research supported by this Department of Energy contract has primarily been devoted to the study of the electronic properties of surfaces with sub-micron size. In previous years, we have studied the photoexcitation of electrons from field emission tips by a focussed Argon-ion laser beam tuned to operate at specific photon energy. The photoexcited electrons escape into the vacuum by tunneling through a surface potential barrier which is distorted by the application of a strong electric field. The interest in these experiments lies in a better understanding of the photoexcitation process at low photon energies. The techniques that have been developed directly measure the excited state energy distribution of electrons emitted through the surface potential barrier. The basic information gained from this research is relevant to opto-electronic devices which rely ...

International Nuclear Information System (INIS)

Many important advances in the physics of strongly correlated electron systems have been driven by the development of new materials: for instance the filled skutterudites MT4X12 (M=alkali metal, alkaline earth, lanthanide, or actinide; T=Fe, Ru, or Os; X=P, As, or Sb), certain lanthanide and actinide intermetallic compounds such as URu2-xRexSi2 and CeTIn5 (T=Co, Rh, or Ir), and layered oxypnictides and related materials. These types of complex multinary d- and f-electron compounds have proven to be a vast reservoir of novel strongly correlated electron ground states and phenomena. In these materials, the occurrence of such a wide range of ground states and phenomena arises from a delicate interplay between competing interactions that can be tuned by partial or complete substitution of one element for another, as well as the application of pressure, and magnetic fields, resulting in ...

International Nuclear Information System (INIS)

Transition rates for electrons in the superheavy elements Z = 114, 126, 134, 145, 164 and 173 are calculated. K, L and M-shells are considerd as final states. The 2s - 1s stransition of multipolarity M1 is dominant for Z = 173 with a transition time of 10"-"1"8s. The radial expectation values and #sq root# are given. (orig.).

International Nuclear Information System (INIS)

The defect-induced effect on superconducting transition temperature T_c of A-15 compounds is examined. T_c is found from the Eliashberg equations which take into account the defect-induced changes in the electron-phonon spectral function and electron density of states. The dependence of T_c on the defect type in the superconductor is obtained.

International Nuclear Information System (INIS)

Raman scattering measurements of the Esub(g) and Tsub(2g) optical phonons in V"3Si, Nb"3Sn, V"3Ge, Cr"3Si, V"3Pt, and Nb"3Pt are presented and discussed in terms of interaction with interband electronic excitations. Data on superconducting Nb"3Sn is presented and modifications to the phonon spectral function and the spectrum of Raman active interband electronic excitations in the superconducting state are discussed. (orig.).

CERN Document Server

In this work we study the dephasing mechanism of a double quantum-dot system, which includes two electrons and a nearby quantum point contact (QPC) as a measurement device. We obtain that the QPC-induced decoherence is on time scales of microseconds. We also find that the electrons will be delocalized after continuous measurement, irrespectively of the initial conditions, and the frequent repeated measurements will localize the system, which is consistent with the quantum Zeno effect. Further, we consider the situation that the double quantum-dot system is irradiated by a microwave field.

International Nuclear Information System (INIS)

The optical properties of uranium monochalcogenides and monopnictides are discussed in terms of their electronic structure. A comparison is made with corresponding rare earth compounds. It is shown that there are close similarities to mixed valence CeN. the results support the occurrence of a dip in the density of d states near Esub(F), where the f density of states has its maximum. Empirical energy level schemes are derived which are found to agree with the existing information from XPS measurements and recent theories. (orig.).

International Nuclear Information System (INIS)

Within the tight binding framework, a study is made of how the disorder affects the electronic properties of A-15 compounds. In particular it is shown that for compounds of two transition metals in the A-15 structure, the vacancy formation affects the density of states only in the low energy region or in the high energy region, in opposition with the isolated chain model of Labbe and Friedel. It is concluded that interchain interactions are important. (U.K.).

Science.gov (United States)

Progress in four research areas on this project are summarized under the following topics: (1) Geminate charge pair recombination in hexane; (2) Fast current measurements resulting from excitation of charge transfer (CT) states; (3) Measurement of the dipole moment of excited states by DC conductivity; and (4) Charge separation at macroscopic interfaces between electron donor and acceptor solids. In a final section, personnel who have contributed to the project during the past budget period are described.

International Nuclear Information System (INIS)

Radiation from an ultrastable 240 GHz solid state source has been injected, through an isolator, into the cavity of the University of California, Santa Barbara millimeter-wave free-electron laser (FEL). High-power FEL emission, normally distributed among many of the cavity's longitudinal modes, is concentrated into the single mode to which the solid state source has been tuned. The linewidth of the FEL emission is 0.5 MHz, consistent with the Fourier transform limit for the 2 #mu#s pulses. This demonstration of frequency-stable, ultranarrow-band FEL emission is a critical milestone on the road to FEL-based pulsed electron paramagnetic resonance spectroscopy.

International Nuclear Information System (INIS)

This document comprises the final technical report for atomic collisions research supported by DOE grant No. DE-FG02-87ER13778 from September 1, 2001 through August 31, 2004. The research involved the experimental investigation of excitation and charge-changing processes occurring in ion-atom and ion-molecule collisions. Major emphases of the study were: (1) interference effects resulting from coherent electron emission in H2, (2) production of doubly vacant K-shell (hollow ion) states due to electron correlation, and (3) formation of long-lived metastable states in electron transfer processes. During the period of the grant, this research resulted in 23 publications, 12 invited presentations, and 39 contributed presentations at national and international meetings and other institutions. Brief summaries of the completed research are presented below.

Energy Technology Data Exchange (ETDEWEB)

It is pointed out that a recently claimed result regarding the removal of sharp structure in the electronic density of states N(E) of A-15 superconducting compounds at T approximately equal to Tsub(c) was in fact, shown earlier by one of the present authors (M.N.M.). Merely the variation of N(E) with energy in the vicinity of the Fermi level in these materials cannot explain their anomalous normal state properties and high values of lambda and Tsub(c). Rather a non-varying N(E) accompanied by phonon softening is in better agreement with experiment.

International Nuclear Information System (INIS)

Local-density-approximation calculations of the H-point phonon frequency of molybdenum were carried out using a new superlinearized augmented-plane-wave basis. The calculated frequency is in quite good agreement with experiment. This indicates that the effect of the many-body renormalization of the electronic states near the Fermi energy on this frequency is smaller than previously suggested. The superlinearized basis and its use to circumvent computational difficulties associated with extended semicore states such as the 4p state of molybdenum is described.

Science.gov (United States)

In the first paper of this series a formal theory of atomic scattering of electrons in the presence of an intense electromagnetic field was given. Cross sections, near the forward direction, between atomic states (modified by the laser) were obtained. However, it was assumed that the atom could not emit spontaneous radiation. In this paper the effect of spontaneous radiation is included, and it is shown that in most cases the measured cross section will be a weighted average of the two different cross sections starting from the two different initial states which are those atomic states resonantly linked by the laser. The Born approximation for the scattering is obtained, and it is shown that for the simplest description of the spontaneous radiation field the effect of the laser on the cross sections is simply to multiply them by a factor which depends upon the laser detuning. (AIP)

DEFF Research Database (Denmark)

We propose a new physical implementation of spin qubits for quantum information processing, namely defect states in antidot lattices defined in the two-dimensional electron gas (2DEG) at a semiconductor heterostructure. Calculations of the band structure of a periodic antidot lattice are presented. A point defect is created by removing a single antidot, and calculations show that localized states form within the defect, with an energy structure which is robust against thermal dephasing. The exchange coupling between two electrons residing in two tunnel-coupled defect states is calculated numerically. We find results reminiscent of double quantum dot structures, indicating that the suggested structure is a feasible physical implementation of spin qubits.

International Nuclear Information System (INIS)

K?-to-K? X-ray intensity ratios of Ti and Ni have been measured in pure metals and in alloys of TixNi1-x (x=0.7, 0.6, 0.5, 0.4 and 0.3) following excitation by 22.69 keV X-rays from a 10 mCi 109Cd radioactive point source. The valence-electron configurations of these metals were determined by corporation of measured K?-to-K? X-ray intensity ratios with the results of multiconfiguration Dirac-Fock calculation for various valence-electron configurations. Valence-electron configurations of 3d-transition metals in alloys indicate significant differences with respect to the pure metals. Our analysis indicates that these differences arise from delocalization and/or charge transfer phenomena in alloys. Namely, the observed change of the valence-electron configurations of metals in alloys can be explained with the transfer of 3d electrons from one element to the other element and/or the ...

Energy Technology Data Exchange (ETDEWEB)

The effect of electron and ion beam irradiation on the Sisub(LVV) Auger spectra of SiO/sub 2/, Si/sub 3/N/sub 4/ and Si-oxynitride films was measured by the relative intensity of the 92 eV signal, characteristic for the formation of 'free' silicon during irradiation. While in Si-oxynitride the beam effects were almost negligible, some damage was found in Si/sub 3/N/sub 4/, but SiO/sub 2/ appeared to be extremely sensitive for electron and ion beam irradiation. By low energy electron loss spectroscopy of ion bombarded SiO/sub 2/ and Si/sub 3/N/sub 4/ films new electron states due to broken Si-O and Si-N bonds could be determined within the band gap of the insulators. The measured energy losses were interpreted by means of electron energy level schemes of the amorphous films.

International Nuclear Information System (INIS)

Electron elastic and collisional excitation cross sections from the ground state of potassium are calculated using the noniterative integral-equation method of Henry, Rountree, and Smith [Comput. Phys. Commun. 23, 233 (1981)] in the electron energy range 4#<=#E#<=#200 eV. Configuration-interaction target wave functions that take account of correlation and polarization effects are used to represent the ground state and the six lowest excited states 4p "2P degree, 5s "2S, 3d "2D, 5p "2P degree, 4d "2D, and 6s "2S. Elastic and discrete excitation cross sections are obtained in a seven-state close-coupling (7CC) approximation. The 7CC elastic and excitation cross sections are compared and contrasted. Near threshold the elastic cross section dominates the resonance, 4s "2S#->#4p "2P degree, and the sum of the other remaining excitation cross sections. ...

International Nuclear Information System (INIS)

This work aims at improving the understanding of the dynamics of a Free Electron Laser (FEL) based on a storage ring. A new phenomenon of saturation by the electron bunch transverse dimensions is pointed out, during the FEL operation with a magnetic optics ''low emittance''. A part of this thesis work concerns the study of the longitudinal dynamics of the FEL depending on a parameter: the detuning between the pass frequency of the electrons and the back and return frequency of the laser pulse in the optical cavity. This study shows that the FEL presents a pulsed or a steady state behavior depending on the detuning. Besides, a spectro-temporal behavior of the FEL is pointed out showing the FEL pulse substructures and holes in the spectrum. Another part of this work concerns the response of the resonant FEL system, when a perturbation is applied on the gain. Under the effect of a modulation, the FEL can ...

International Nuclear Information System (INIS)

Recently a new method of controlling the pulse length of a short-pulse free-electron laser (FEL) has been developed. By modulating the synchronism between the optical and electron pulses in the FEL cavity, it was found that the output power and the micropulse length of the FEL beam oscillates at the modulation frequency. In this paper, we study theoretically the behavior of the micropulse length, both in the high loss (steady state) regime and the low loss (limit cycle) regime, when a modulated desynchronism is applied. In order to do this, we analyze the dynamics of a short-pulse FEL oscillator. The modulation frequency value plays an important role in the dynamics. We find that there is a resonantlike phenomenon between the externally applied desynchronism modulation and the limit cycle oscillation without modulation of a free-electron laser.

International Nuclear Information System (INIS)

The electronic structure and optical properties in tetragonal ceramics PbTiO_3, are studied by using full-potential linearized augmented plane wave method in density functional theory with the generalized gradient approximation by WIEN2K package. The theoretical calculated optical properties and energy loss spectrum yield a static refractive index of 2.59 and a plasmon energy of 22.7eV for the tetragonal phase. The effective electron number at low energy saturates near 22-23eV with the value of 50 for the effective electron number. The results show a indirect band gap of 2.2eV at the I' point in the Brillouin zone. The :calculated band structure and density of states of PbTiO_3 agree with previous experimental and theoretical results.

International Nuclear Information System (INIS)

Measurements of absolute total cross sections for electron-impact excitation of Ar"7"+(3s#->#3p) using a merged-beams electron-energy-loss technique show that near threshold the inelastically scattered electrons are ejected primarily in the backward direction. This unusual angular scattering has not been previously observed for atoms or ions, but may be typical for multiply charged ions. The total cross sections, measured over an energy range to 2.2 eV above threshold, agree with seven-state R-matrix close-coupling calculations. Both close-coupling and distorted-wave calculations also confirm the backscattering observed in these measurements.

International Nuclear Information System (INIS)

The effects of intradot electron-electron interaction on the photon-assisted Andreev tunneling of a superconductor/carbon-nanotube/superconductor system are studied by using nonequilibrium Green's function technique. The inverse supercurrent reflecting the #pi#-junction transition emerges in the spin-split energy-levels regime polarized by the Coulomb interaction. For the positive tunneling case, the supercurrent reaches its maximum when the spin-degenerate energy-levels are nearest to the Fermi surface. Conversely, for the negative tunneling case, the supercurrent reaches its maximum when two split energy-levels are symmetric with respect of the Fermi surface. The sign and the amplitude of the Andreev tunneling depend distinctly on the energy-level spacing tuned by photon-assisted tunneling. In order to fully understand the transport characteristics, the current-carrying density of states are investigated, which clearly shows the enhancement, ...

International Nuclear Information System (INIS)

Using the electron energy-loss method in a merged electron-ion beams geometry absolute, cascade-free excitation cross sections have been measured for the resonance "2S#->#"2P transition in Zn"+. Measurements were carried out at electron energies of below threshold (threshold at 6.011 eV) to 40 eV. Results are in very good agreement with close-coupling calculations and, away from threshold, lie below absolute line-emission cross sections which include effects of cascade into the "2P state from higher levels.

International Nuclear Information System (INIS)

For very low collision energies electron capture from excited hydrogen by multicharged ions is characterized by enormous cross sections, the predicted maximum being comparable to the geometric size of the Rydberg atom. The ion-atom merged-beams technique is being used to study these collisions for the variety of charge states and the wide range of energies (0.1 to 1000 eV/amu) accessible to the apparatus. A neutral D beam containing a Rydberg atom population proportional to 1/n"3 is produced by collisional electron detachment of 8 keV D"- in N_2 gas. An applied electric field results in the range (n=24--11) depending on the strength of the field applied. This beam is then merged with O"3"+ or O"5"+ ion beams at low relative collision velocities where the resultant beam-beam signal of D"+ due to electron loss is dominated by electron capture. From the sharp decrease in the observed ...

Energy Technology Data Exchange (ETDEWEB)

We have observed a threshold in the electron photodetachment cross section of {sup 88}Sr{sup {minus}} ions at a photon energy {ital h}{nu}=1.820 eV and assign it to a {ital p}-wave transition from the 5{ital s}{sup 2}5{ital p}{sup 2}{ital P} ground state in Sr{sup {minus}} to the 5{ital s}5{ital p}{sup 3}{ital P} state in neutral Sr. The measurement was made with a new technique combining the tunable laser photodetachment threshold method with accelerator mass spectrometry. We determine for the first time the electron affinity of Sr to be 48{plus_minus}6 meV, much smaller than predicted in recent calculations. The {sup 2}{ital P}{sub 1/2}-{sup 2}{ital P}{sub 3/2} fine splitting of the Sr{sup {minus}} ground state is estimated to be 26{plus_minus}8 meV.

International Nuclear Information System (INIS)

Hybrid density functionals, which replace a fraction of density functional theory (DFT) exchange with exact Hartree-Fock (HF) exchange, have been used to study the structural, magnetic, and electronic properties of #delta#-Pu. The fraction of exact Hartree-Fock exchange used were 25%, 40%, and 55%. Compared to the pure PBE functional, the lattice constants expanded with respect to the experimental value when the PBE-HF hybrid functionals were applied. For pure PBE and hybrid functionals with HF exchanges amounts of 25% and 40%, the ground state structure was anti-ferromagnetic, while for 55% HF contribution the ground state was non-magnetic. The 5f electrons tend to exhibit slight delocalization of itinerancy for the pure PBE functional and well-defined localization for the hybrid functionals, with the degree of 5f electron localization increasing with the amount of HF exchange. ...

Energy Technology Data Exchange (ETDEWEB)

The effect of molybdenum on the electronic structure of the passive films formed on ferritic (Fe-Cr and Fe-Cr-Mo) stainless steels is examined by capacitance and photoelectrochemical measurements. The capacitance study is supported by a mathematical analysis of the Schottky barrier developed at the semiconductor-electrolyte interface in the case of a semiconductor with multiple bulk electronic states in the bandgap. The numerical simulations, based on the more general Mott-Schottky relation proposed, are in good agreement with the experimental results. It can be concluded that the capacitance behavior of the passive films is related to the contributions of a shallow donor level very close to the conduction band and a deep donor level at about 0.4 eV below the conduction band. The addition of molybdenum decreases the donor density of the deep level. Photoeffects observed for subbandgap photon energies reveal that this deep ...

International Nuclear Information System (INIS)

The measurement of K(alpha)/K(beta) X-ray intensity ratio indicates the excitation process and the chemical state of the atom examined. Theoretical considerations on the origin of this property are presented. The difference of these ratios following photoionization and electron capture are calculated by a computer code generating transition matrix elements. The theoretical assumptions involved in the codes are tested by comparing the experimental and calculated data concerning 3d transition element atoms. (D.Gy.).

CERN Document Server

Using an exactly soluble one-dimensional atomic model we explore the idea that the recently observed high-order nonlinearity in optical filaments is due to virtual transitions involving the continuum states. We show that the model's behavior is qualitatively comparable with the experimentally observed cross-over from self-focusing to de-focusing at high intensities, and only occurs at intensities which result in significant ionization. Based on these observations, we conjecture that this continuum electron nonlinear refraction exhibits strong memory effects, and most importantly, the change of its sign is effectively masked by the de-focusing due to free electrons.

International Nuclear Information System (INIS)

A theoretical study of structural and electronic properties of GeC, SnC and GeSn is presented using the full potential linearized augmented plane wave method. In this approach, the generalized gradient approximation was used for the exchange-correlation potential. Results are given for lattice constant, bulk modulus and its pressure derivative in both zinc-blende and rocksalt structures. Band structure, density of states and band gap pressure coefficients in zinc-blende structure are also given. The results are compared with previous calculations and with experimental measurements.

Energy Technology Data Exchange (ETDEWEB)

The electronic structure of the clusters (V/sub 3/Si/sub 4/)/sup 12 -/, (Nb/sub 3/Sn/sub 4/)/sup 12 -/(Mo/sub 3/Ge/sub 4/)/sup 15 -/ in crystalline V/sub 3/Si, Nb/sub 3/Sn, Mo/sub 3/Ge compounds is calculated by the Extended Hueckel method. The influence of different types of radiation induced defects on the density of states at the Fermi level (the anti-site defects, the displacement of atoms in linear chains, the vacancy-interstitial type defects) is considered.

International Nuclear Information System (INIS)

The composite wave variational version of the APW (augmented plane wave) method is used to obtain the electronic band structure of the compounds boron phosphide and boron arsenide at the high symmetry points #GAMMA#, X, and L. The tight binding interpolation scheme of Slater and Koster is used to calculate the rest of the band structure. The results show that both these materials are indirect band gap semiconductors. The density of states, and the imaginary part of the dielectric constant is also calculated. The theoretical results are compared with the reported experimental and theoretical data. (author).

Energy Technology Data Exchange (ETDEWEB)

The electronic structure of octahedral metal atom clusters Me/sub 6/ of 3d, 4d, and 5d transition metal atoms (V, Cr; Nb, Mo; Ta, W) has been calculated applying two different quantum-chemical approximation methods (Extended Hueckel (EH) method; SW-Xsub(alpha) method). Equilibrium structures, energy level schemes, Fermi energies and band widths as well as densities of states of clusters are discussed in detail.

International Nuclear Information System (INIS)

In recent years sufficient new spectra of actinides in their numerous valence states have been measured to encourage a broader scale analysis effort than was attempted in the past. Theoretical modelling in terms of effective operators has also undergone development. Well established electronic structure parameters for the trivalent actinides are being used as a basis for estimating parameters in other valence states and relationships to atomic spectra are being extended. Recent contributions to our understanding of the spectra of 4+ actinides have been particularly revealing and supportive of a developing general effort to progress beyond a preoccupation with modelling structure to consideration of the much broader area of structure-bonding relationships. We summarize here both the developments in modelling electronic structure and the interpretation of apparent trends in bonding. 60 refs., 9 figs., 1 ...

International Nuclear Information System (INIS)

Up to now, P diffusion in Ge is modeled with an effective diffusivity involving at most a quadratic dependence with the free electron concentration (n). However, recent theoretical studies suggest the existence of a triply negatively charged state for the free vacancy in germanium and experimental data indicate that the E center (PV pair) in Ge has a double acceptor state. These two facts would be consistent with a diffusivity model involving a cubic dependence with n. In this paper the validity of this approach is checked for both pure thermal diffusion (intrinsic and extrinsic) and implanted phosphorus, using either our own experiments or other data available from the literature. Although some discrepancies still exist in some cases for the redistribution of implanted P, it is shown that the introduction of this cubic dependence significantly improves the overall agreement as compared with the usual model.

Energy Technology Data Exchange (ETDEWEB)

Measurements of {gamma}-ray, {gamma}{gamma}-coincidence and internal conversion electron spectra from the {sup 106}Cd({alpha},n{gamma}){sup 109}Sn reaction were carried out at 15-20 MeV {alpha}-particle bombarding energies with Ge(HP) {gamma}-ray and superconducting magnetic lens plus Si(Li) electron spectrometers. The energies, relative intensities, internal conversion coefficients and coincidence relations of the {sup 109}Sn transitions were determined, and a more complete, consistent level scheme has been deduced. Spin and parity values have been determined from the internal conversion coefficients, the bombarding-energy dependence of the side-feeding intensities of the states and the available {gamma}-ray angular distribution data. The level scheme was interpreted in the framework of the quasi-particle shell model.

International Nuclear Information System (INIS)

Electronic energy bands of LaH"2 and NdH"2 have been calculated by the composite-wave variational version of the augmented plane wave method. Crystal potentials for both the hydrides were constructed by the superposition of the atomic potentials of Herman and Skillman. From the band structure data, density of states, joint density of states, optical absorption spectra and Fermi surfaces of these two hydrides have been calculated. The results of the optical studies have been successfully compared with the experimental results of Weaver et al. From the theoretical point of view the present results for LaH"2 have been satisfactorily compared with the results of Gupta et al. Since no theoretical calculation exists for ndH"2, theoretical comparison, in this case, was not possible for NdH"2. (author).

Energy Technology Data Exchange (ETDEWEB)

The electronic structure of small niobium clusters Nb/sub n/ (n = 2, 4, 6, 9) has been calculated applying two different quantum-chemical approximation methods (Extended Hueckel (EH) method; SW-X/sub alpha/ method). It was found that both the methods led to the same results concerning equilibrium structures, energy level schemes, Fermi energies and band widths as well as the densities of states of the clusters. In solving solid state problems of transition metals with the aid of the cluster model a better adaptation of the EH method should be expected by adjusting the EH parameters to the SW-X/sub alpha/ results.

CERN Document Server

We analyze the impact of trap states in the oxide layer of a superconducting tunnel junctions, on the fluctuation of the Josephson critical current, thus on coherence in superconducting qubits. Two mechanisms are usually considered: the current blockage due to repulsion at the occupied trap states, and the noise from electrons hopping across a trap. We extend previous studies of noninteracting traps to the case where the traps have on-site electron repulsion inside one ballistic channel. The repulsion not only allows the appropriate temperature dependence of 1/f noise, but also is a control to the coupling between the computational qubit and the spurious two-level systems inside the oxide dielectric. We use second order perturbation theory which allows to obtain analytical formulae for the interacting bound states and spectral weights, limited to small and intermediate repulsions. ...

International Nuclear Information System (INIS)

We investigate a two-orbital Anderson lattice model with Ising orbital intersite exchange interactions on the basis of a dynamical mean field theory combined with the static mean field approximation of intersite orbital interactions. Focusing on Ce-based heavy-fermion compounds, we examine the orbital crossover between two orbital states, when the total f-electron number per site n_f is #approx#1. We show that a 'meta-orbital' transition, at which the occupancy of two orbitals changes steeply, occurs when the hybridization between the ground-state f-electron orbital and conduction electrons is smaller than that between the excited f-electron orbital and conduction electrons at low pressures. Near the meta-orbital critical end point, orbital fluctuations are enhanced and couple with charge fluctuations. A critical theory of meta-orbital ...

British Library Electronic Table of Contents (United Kingdom)

Tb3+-activated Sr3AlO4F phosphors were synthesized by a high-temperature solid-state reaction method. The investigation of photoluminescence and cathodoluminescence indicates that these phosphors can be effectively excited by ultraviolet light and low-voltage electron beam. The phosphors exhibit a tunable-green emission. The luminescence behaviors are explained by the site occupancy of Tb3+ ions in the host crystal and the cross-relaxation of 5D3 to 5D4 state.

Energy Technology Data Exchange (ETDEWEB)

Two mesoscopic SQUID rings which are far from each other are considered. A source of two-mode nonclassical microwaves irradiates the two rings with correlated photons. The Josephson currents are in this case quantum mechanical operators, and their expectation values with respect to the density matrix of the microwaves yield the experimentally observed currents. Classically correlated (separable) and quantum mechanically correlated (entangled) microwaves are considered, and their effect on the Josephson currents is quantified. Results for two different examples that involve microwaves in number states and coherent states are derived. It is shown that the quantum statistics of the tunnelling electron pairs through the Josephson junctions in the two rings are correlated.

Energy Technology Data Exchange (ETDEWEB)

The form factor for excitation of 1/sup +/ state at 3.846 MeV in /sup 88/Sr by inelastic electron scattering has been measured for q=0.22-2.57 fm/sup -1/. Both nuclear core polarization and ..delta..-hole polarization seem to be necessary to describe the observed reduction of the B(M1)-value and data at low q and the peculiar shape of the form factor at intermediate values of q.

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... 300710+Ceramic+Transactions+Series 2120%28Series+Code%29+Ceramic+Transactions+Series Wiley::Ceramic Transactions Series WILEY KNOWLEDGE FOR GENERATIONS United States Change Location Home ...CART | MY ACCOUNT | CONTACT US | HELP Home / Engineering & Materials Science / Materials Science / Ceramic Transactions Series Related Subjects Soft Matter Organic Electronics Structural Materials, ... Ceramics Structural Materials, Composites Structural Materials or Construction Materials Corrosion Electronics Materials Related Series Ceramic Engineering and Science Proceedings Wiley Series in Materials ...for Electronic and Optoelectric Applications Ceramic Transactions (CTs) books contain papers presented at the Annual Meeting of the American Ceramic Society, ...

Energy Technology Data Exchange (ETDEWEB)

Resonant inelastic x-ray scattering (RIXS) with soft x-rays is uniquely suited to study the elec-tronic structure of a variety of materials, but is currently limited by low (fluorescence yield) count rates. This limitation is overcome with a new high-transmission spectrometer that allows to measure soft x-ray RIXS"maps." The S L2,3 RIXS map of CdS is discussed and compared with density functional calculations. The map allows the extraction of decay channel-specific"absorp-tion spectra," giving detailed insight into the wave functions of occupied and unoccupied elec-tronic states.

Energy Technology Data Exchange (ETDEWEB)

A theoretical analysis of formation and symmetry transformations is presented for Wigner molecules with N = 2,..., 20 electrons confined in quantum dots at high magnetic fields. Using the unrestricted Hartree-Fock method with the multicentre Gaussian basis, we have found that Wigner molecules with N {>=} 6 abruptly change their shape and symmetry with an associated jump in the first derivative of the ground-state energy, i.e. they undergo phase transitions. In particular, the phases of the Wigner molecules obtained just after emerging from the maximum-density droplet (MDD) phase possess a different symmetry from that formed at a high magnetic field. We show that the properties of the electron-electron interaction energy demonstrate very well both the breakdown of the MDD and the quasi-classical character of the Wigner molecule in the high magnetic field. Possible mechanisms of the MDD decay are discussed.

Energy Technology Data Exchange (ETDEWEB)

Organic/metal interface properties are of high interest for the application of molecular (sub)monolayers to modify surface properties. They are applied for, e.g., molecular electronics, chemical sensing, or the tuning of injection barriers in organic electronic devices. We present a joint theoretical and experimental study of F{sub 4}TCNQ adsorbed on Cu(111). The electronic and structural properties were determined by ultraviolet photoelectron spectroscopy (UPS) and X-ray standing wave (XSW) measurements. To better understand the complex process of binding, we modelled the system using density-functional theory. We find forward-donation from the lone pairs of the molecule into metallic states and back-donation from the metal into the LUMO of the molecule. The data on Cu(111) are compared to F4TCNQ on Au(111) and Ag(111) as well as to investigations of pyrenetetraone on various coinage metals.

Energy Technology Data Exchange (ETDEWEB)

By ab-initio calculation we show that the (Ga,Fe)N ground state may be changed from anti-ferromagnetic to ferromagnetic by acceptor defect like Ga vacancies. The electronic structures are calculated by using the Korringa-Kohn-Rostoker (KKR) method combined with coherent potential approximation (CPA). We show that we can increase the magnetic moment of Fe in p-type GaN by oxygen co-doping. Mechanism of exchange interactions between magnetic ions in p-type (Ga,Fe)N is also studied. The effect of external magnetic field on the electronic structure of (Ga, Fe)N and p-type (Ga, Fe)N is investigated.

Energy Technology Data Exchange (ETDEWEB)

Particle simulation studies of collisionless driven reconnection in an open system are presented. Collisionless reconnection evolves in two steps in accordance with the formation of two current layers, i.e., an ion current layer in the early ion phase and an electron current layer in the late electron phase. After the electron current layer is formed inside the ion current layer, the system relaxes gradually to a steady state when convergent plasma flow is driven by an external electric field with a narrow input window. On the other hand, when the convergent plasma flow is driven from the wide input window, magnetic reconnection takes place in an intermittent manner, due to the frequent formation of magnetic islands in the vicinity of neutral sheet. (author)

Energy Technology Data Exchange (ETDEWEB)

One of the main challenges for a high energy {gamma}{gamma} collider is the high repetition rate required for the laser-electron-beam collisions to convert into high energy gamma beams. State-of-the-art, high power lasers have a much lower repetition rate than that of the electron pulses. It is therefore highly desirable that the same laser pulse can be reused. As an example, for NLC where beams collide at 120 Hz, within each collision cycle there are 90 electron bunches separated by 1.4 ns between successive bunches. We show, by invoking a recently invented laser optical box, that the laser pulses can be reused for the entire train of bunches within each collision cycle. ((orig.)).

Energy Technology Data Exchange (ETDEWEB)

In order to optimize the performance of molecular organic electronic devices it is important to study the intermolecular density of states and charge transport mechanisms in the environment of crystalline organic material. Using this approach in Field Effect Transistors (FETs) we show that material purification improves carrier mobility and decreases density of the deep localized electronic state. We also report a general exponential energy dependence of the density of localized states in a vicinity of the mobility edge (Fermi energies up to approx7 times higher than the thermal energy (kT)) in a variety of the extensively purified molecular organic crystal FETs. This observation and the low activation energy of the order of approxkT suggest that molecular structural misplacements of the sizes that are comparable with thermal molecular modes rather than impurity deep traps play a ...

Energy Technology Data Exchange (ETDEWEB)

The electron affinities of indium and thallium were measured in separate experiments using the laser-photodetachment electron spectroscopy technique. The measurements were performed at the University of Nevada, Reno. Negative ion beams of both indium and thallium were extracted from a cesium-sputter negative ion source, and mass analyzed using a 90{sup o} bending magnet. The negative ion beam of interest was then crossed at 90{sup o} with a photon beam from a cw 25-Watt Ar{sup +} laser. The resulting photoelectrons were energy analyzed with a 160{sup o} spherical-sector spectrometer. The electron affinity of In({sup 2}P{sub 1/2}) was determined to be 0.404 {+-} 0.009 eV and the electron affinity of thallium was determined to be 0.377 {+-} 0.013 eV. The fine-structure splittings in the ground states of the negative ions were also determined. The experimental measurements will be ...

International Nuclear Information System (INIS)

X-ray magnetic diffraction (XMD) technique was applied to an orbital ordering compound of ferromagnetic YTiO_3 for the first time. The orbital-magnetic form factor #mu# _L(k) and the spin-magnetic form factor #mu# _S(k) were independently measured by utilizing the LS separation ability of the XMD. The #mu# _L(k) was measured for ten reciprocal-lattice points. No significant values of the #mu# _L(k) were observed for most of the reciprocal-lattice points within the estimated statistical errors, which suggested quenching of the orbital moment. The #mu# _S(k) was measured for 22 reciprocal-lattice points. Fourier synthesis of the #mu# _S(k) gave the spin density distribution m _S(r) in the real space. The obtained m _S(r) map shows the characteristic feature of the electron distribution of 3d electron in the t_2_g state of a Ti atom coordinated by O"2"- ions, in which the electrons are distributed away ...

International Nuclear Information System (INIS)

K#beta#-to-K#alpha# X-ray intensity ratios of Ti, Cr, Fe and Co in pure metals and in Cr_0_._2_6Fe_0_._7_4, Cr_0_._8_0Co_0_._2_0 and Ti_0_._8_0Cr_0_._2_0 alloys have been measured following excitation by 59.54 keV #gamma#-rays from a 7400 MBq (200 mCi) "2"4"1Am point-source. The valence electronic structure of Ti, Cr, Fe and Co in the samples have been evaluated by the comparison of the measured K#beta#-to-K#alpha# intensity ratios with the results of multiconfiguration Dirac-Fock calculations performed for various electronic configurations of these metals. The 3d-electron populations obtained for pure metallic Ti, Cr, Fe and Co agree well with the results of band structure calculations of Papaconstantopoulos (Handbook of band structure of elemental solids, Plenum Press, New York, 1986). Our analysis indicates significant increase of 3d-electron population of Ti, Cr and Fe in the alloys with respect to ...

Energy Technology Data Exchange (ETDEWEB)

The universal depression of the superconducting transition temperature T/sub c/ in disordered A-15 compounds is examined. It is found that their anomalous behavior can be explained by a simple model for the density of states, which is enhanced by disorder in some cases. The dramatic drop in T/sub c/ in constant density-of-states A-15 compounds like Nb/sub 3/Ge or Nb/sub 3/Al at a critical value of the resistivity can be attributed to overdamping of acoustic plasmons, which decreases the electron pairing interaction despite relatively small changes in the density of states. Agreement for T/sub c/ and susceptibility chi with previous calculations is found of the position of the Fermi energy is near a peak. Possible experiments are proposed to check the above models.

International Nuclear Information System (INIS)

Time-differential magnetic moment measurements on the first-excited Isup(#pi#)=2"+ states in "2"0Ne and "2"4Mg with mean lives of 1.0 and 2.1 ps, respectively are described. The lifetime of the latter state was determined simultaneously. A special detection geometry was designed to improve the experimental #gamma#-ray anisotropy measured with finite-size detectors. For "2"0Ne also a time-integral measurement with charge-state separation was performed. The necessary electronics circuitry built to perform these complicated measurements and the plunger assembly with laser interferometer are also described. A magnetic moment measurement of "2"2Ne(2_1"+) with tau=5.0 ps and transient field measurements at low and high recoil velocities are reported. A discussion of possible extensions of the techniques are given. (Auth.).

Energy Technology Data Exchange (ETDEWEB)

The electronic structure of the C15, or cubic-Laves-phase material, UAl/sub 2/ has been calculated using the linearized relativistic augmented-plane-wave method. The anomalous behavior of the electrical resistivity, specific heat, and magnetic susceptibility can be explained by the fine structure of the density of states near the Fermi energy alone, without the necessity of the introduction of drastic spin fluctuations or many-body effects.

CERN Document Server

We provide an analytic study of the dynamics of semiconductor lasers with injection (pump) of spin-polarized electrons, previously considered in the steady-state regime. Using complementary approaches of quasi-static and small signal analyses, we elucidate how the spin modulation in semiconductor lasers can improve performance, as compared to the conventional (spin-unpolarized) counterparts. We reveal that the spin-polarized injection can lead to an enhanced bandwidth and desirable switching properties of spin-lasers.

Energy Technology Data Exchange (ETDEWEB)

Intrinsic crossluminescence (CRL) of CsBr, CsCl, and of BaF{sub 2} was investigated with electron-beam and synchrotron radiation excitation. From the CRL spectra, the excitation spectra and the reflectivity, energy level schemes were deduced. Extrinsic CRL was observed changing either the initial (CsCl:Br{sup -}) or the final (RbCl:Cs{sup +}; KCl:Cs{sup +}) state of CRL by doping. (author).

Energy Technology Data Exchange (ETDEWEB)

In scattering of channeled particles by point defects and in emission of gamma rays in the spontaneous-radiation spectral region conditions are attained where the momentum transferred to the defect is taken up by the crystal as a whole. This leads to coherent and interference effects in the radiation from the crystal defects. When the longitudinal momentum transferred is zero, an induced radiation effect appears in the transitions between the states of transverse motion.

International Nuclear Information System (INIS)

The research of the CELLO collaboration is reviewed. After a description of the CELLO detector tests of QCD and hadronic final states by determination of the strong coupling constant and studies of inclusive production of electrons and muons in multihadronic events in e"+e"- annihilation are described. Then studies of deep inelastic e#gamma# scattering with lepton pair production and the study of the structure function of the photon are briefly described. Finally studies on QED processes are described together with tau decays. (HSI).

International Nuclear Information System (INIS)

Solid state effects are taken into account in an internal conversion coefficients computation by using Wigner-Seitz boundary conditions. Both the bound and free electron wave functions are calculated from an atomic Dirac-Hartree-Fock-Slater self consistent potential. These internal conversion coefficients are compared with those obtained from the usual free atom boundary conditions. (orig.).

International Nuclear Information System (INIS)

The electronic structure of octahedral metal atom clusters Me_6 of 3d, 4d, and 5d transition metal atoms (V, Cr; Nb, Mo; Ta, W) has been calculated applying two different quantum-chemical approximation methods (Extended Hueckel (EH) method; SW-Xsub(alpha) method). Equilibrium structures, energy level schemes, Fermi energies and band widths as well as densities of states of clusters are discussed in detail.

Energy Technology Data Exchange (ETDEWEB)

The authors present design methodology and initial experimental results for a high power microwave switch. The switch is designed for application to the pulse compression system associated with the Next Linear Collider Test Accelerator (NLCTA). The switch is based on the excitation of a plasma layer within a silicon wafer by either a laser or an electron beam. They investigate problems associated with high power operation of such a switch. They explore solutions to the problems of thermal runaway, avalanche breakdown, photo-emission, and secondary emission.

International Nuclear Information System (INIS)

Results of an augmented-plane-wave calculation of the positron lifetime and the angular-correlation curves for aluminum, both in the vacancy-free crystal and in the crystal with a vacancy, are presented. The environment of the vacancy was simulated by a face-centered-cubic supercell with a volume 27 times that of the standard primitive unit cell of the Al lattice. The calculated positron-vacancy binding energy is 3.36 eV at room temperature. The temperature dependences of the trapping potential, the positron-vacancy binding energy, and the positron lifetime both in the Bloch state and in the vacancy-trapped state, associated only with the static thermal expansion of the lattice, have been calculated. It is found that the fractional increase in positron lifetime in the Bloch state is only approx.80% of the fractional increase in the volume of the lattice. The lifetime in the vacancy-trapped state is also ...

Science.gov (United States)

Hybrid density functionals, which replaces a fraction of a density functional theory exchange with exact Hartree-Fock (HF) exchange, have been used to study the structural, magnetic, and electronic properties of ?-Pu. The fractions of exact Hartree-Fock exchange used were 25%, 40%, and 55%. Compared to the pure PBE functional, the lattice constants expanded with respect to the experimental value when the PBE-HF hybrid functionals were applied. For pure PBE and hybrids functionals with HF exchange amounts of 25% and 40%, the ground state structure was anti-ferromagnetic, while for 55% HF contribution the ground state was non-magnetic. The 5f electrons tend to exhibit slight delocalization or itinerancy for the pure PBE functional and well-defined localization for the hybrid functionals, with the degree of 5f electron localization increasing with the amount of HF exchange. Overall, ...

Science.gov (United States)

We will report on a new type of tunable semiconductor laser, which is based on the electronic selection of one Bragg grating among an array of such gratings in silica. The device that we have built operates at 120 Mb/s but extension to 1 Gb/s for Gigabit-Ethernet applications would be straightforward. In comparison with tunable semiconductor lasers using gratings in the III-V materials, silica gratings offer two significant advantages: 1-wavelength stability and predictability, 2-the ability to phusically overlap many gratings in a compact space in order to enable the selection of a large number of wavelengths for wavelength division multiplexed communications systems. The time required to chagne the wavelength in our laser has not been measured for lack of the necessary electronics but it is expected to be in the microsecond range on the basis of a straightforward calculation. The robust all solid-state nature of our ...

International Nuclear Information System (INIS)

In this paper, molecular quantum computation is numerically studied with the quantum search algorithm (Grover's algorithm) by means of optimal control simulation. Qubits are implemented in the vibronic states of I_2, while gate operations are realized by optimally designed laser pulses. The methodological aspects of the simulation are discussed in detail. We show that the algorithm for solving a gate pulse-design problem has the same mathematical form as a state-to-state control problem in the density matrix formalism, which provides monotonically convergent algorithms as an alternative to the Krotov method. The sequential irradiation of separately designed gate pulses leads to the population distribution predicted by Grover's algorithm. The computational accuracy is reduced by the imperfect quality of the pulse design and by the electronic decoherence processes that are modeled by the non-Markovian master equation. ...

Energy Technology Data Exchange (ETDEWEB)

Many important advances in the physics of strongly correlated electron systems have been driven by the development of new materials: for instance the filled skutterudites MT{sub 4}X{sub 12} (M=alkali metal, alkaline earth, lanthanide, or actinide; T=Fe, Ru, or Os; X=P, As, or Sb), certain lanthanide and actinide intermetallic compounds such as URu{sub 2-x}Re{sub x}Si{sub 2} and CeTIn{sub 5} (T=Co, Rh, or Ir), and layered oxypnictides and related materials. These types of complex multinary d- and f-electron compounds have proven to be a vast reservoir of novel strongly correlated electron ground states and phenomena. In these materials, the occurrence of such a wide range of ground states and phenomena arises from a delicate interplay between competing interactions that can be tuned by partial or complete substitution of one element for another, as well as the application of ...

International Nuclear Information System (INIS)

Potassium deposition in ultrahigh vacuum on 12-(3-thienyl)dodecanethiol monolayers assembled on gold surfaces has been investigated using X-ray and ultraviolet photoelectron spectroscopies (XPS and UPS). Angle-resolved XPS indicates that initially deposited potassium penetrates the self-assembled monolayer (SAM) and diffuses to the SAM/Au interface. Even after large metal doses, the presence of thiophene ring valence electronic states in the UPS spectra confirms that most of the thiophene rings (at the SAM/vacuum interface) are not covered by potassium. The binding energy shifts of the thiophene ring valence states and the C1s and thiophene S2p peaks, referenced to the Fermi level, are due to the work function changes of the gold substrate. This indicates that these electronic states are pinned to the vacuum level, in contrast to the thiolate S2p orbital, which is pinned to the ...

International Nuclear Information System (INIS)

X-ray emission spectroscopy (XES) and X-ray photoelectron spectroscopy (XPS) methods were employed in the present paper to investigate the electronic structure of face-centred cubic (fcc) molybdenum dioxide, fcc-MoO_2. For the mentioned compound, the XES O K#alpha# and Mo L#beta#_2_,_1_5 bands reflecting the valence O p- and Mo s,d-like states, respectively, were derived and compared on a common energy scale with the XPS valence-band spectrum. For comparison, the similar experimental studies of the electronic structure were made for a usual orthorhombic form of molybdenum trioxide, MoO_3. Band-structure calculations of fcc-MoO_2 were made using the full potential linearized augmented plane wave (FP-LAPW) method. A rather good agreement of the experimental XES and XPS results and the theoretical FP-LAPW data for the electronic properties of fcc-MoO_2 has been achieved in the present paper. A new ...

Energy Technology Data Exchange (ETDEWEB)

This thesis consists of five chapters, each of which is a self-contained unit. The first chapter overviews methods for electronic-structure calculations. Chapter 2 introduces a new method to generate a rapidly converging configuration expansion. The approach iteratively combines (1) a least-squares fitting of a configuration expansion to a many-body wave function with (2) a transfer-matrix method for projecting out the ground state. Results are shown to be equivalent to multiconfiguration Hartree-Fock. Results from test calculations are given for a simple finite difference model of the helium atom. In Chapter 3 the use of the finite-element method in electronic structure calculations is discussed. Chapters 4 and 5 discuss developments in Monte Carlo methods based on Hubbard-Stratonovich transformations. Chapter 4 introduces a canonical ensemble formulation of the method, which is more appropriate than the usual grand ...

International Nuclear Information System (INIS)

We present first-time measurements of the Fermi surface and low-energy electronic structure of intermetallic compounds Gd_2PdSi_3 and Tb_2PdSi_3 by means of angle-resolved photoelectron spectroscopy (ARPES). We show that the Fermi surface in both compounds consists of an electron barrel at the #GAMMA# point surrounded by spindle-shaped electron pockets originating from the same band, with the band bottom of both features lying at 0.5 eV below the Fermi level. From the experimentally measured band structure, we estimate the momentum-dependent RKKY coupling strength and demonstrate that it is peaked at the 1/2#GAMMA# K wave vector. Comparison with neutron diffraction data from the same crystals shows perfect agreement of this vector with the propagation vector of the low-temperature in-plane magnetic order, thereby demonstrating the decisive role of the Fermi surface geometry in explaining the complex magnetically ordered ...

Energy Technology Data Exchange (ETDEWEB)

A future e{sup -}-e{sup +} (electron-positron) linear collider can be configured with perhaps minimal modification to serve as an {gamma}-{gamma} (gamma-gamma) or a e{sup -}-{gamma} collider. This is accomplished by Compton-backscattering low energy photons (from a laser source) off of the high-energy electron beams prior to the crossing of the electron beams. However, to be competitive with the e{sup -}-e{sup +} configuration, the luminosity cannot be compromised in the process. This requires that the laser source deliver a sufficient number of photons per pulse with a pulse format and rate matching that of the electron beams. As it turns out, this requires an average optical power of 5-15 kW from the laser which is beyond the current state of the art. In this paper, we address how to generate the required pulse format and how the high average power requirement can be met with ...

Energy Technology Data Exchange (ETDEWEB)

This thesis deals with the special electronic properties of the transition-metal aluminides. Following quasicrystals and their approximants it is shown that even materials with small elementary cells exhibit the same surprising effects. So among the transition-metal aluminides also semi-metallic and semiconducting compounds exist, although if they consist of classic-metallic components like Fe, Al, or Cr. These properties are furthermore coupled with a deep pseusogap respectively gap in the density of states and strongly covalent bonds. Bonds are described in this thesis by two eseential properties. First by the bond charge and second by the energetic effect of the bond. It results that in the caes of semiconducting transition-metal aluminides both a saturation of certain bonds and a bond-antibond alteration in the Fermi level is present. By the analysis of the near-order in form of the so-calles coordination polyeders it has been succeeded to ...

Energy Technology Data Exchange (ETDEWEB)

K{beta}-to-K{alpha} X-ray intensity ratios of Ti and Ni have been measured in pure metals and in alloys of Ti{sub x}Ni{sub 1-x} (x=0.7, 0.6, 0.5, 0.4 and 0.3) following excitation by 22.69 keV X-rays from a 10 mCi {sup 109}Cd radioactive point source. The valence-electron configurations of these metals were determined by corporation of measured K{beta}-to-K{alpha} X-ray intensity ratios with the results of multiconfiguration Dirac-Fock calculation for various valence-electron configurations. Valence-electron configurations of 3d-transition metals in alloys indicate significant differences with respect to the pure metals. Our analysis indicates that these differences arise from delocalization and/or charge transfer phenomena in alloys. Namely, the observed change of the valence-electron configurations of metals in alloys can be explained with the transfer of 3d electrons from one ...

International Nuclear Information System (INIS)

First-principles self-consistent band-structure calculations of potassium titanyl arsenate, KTiOAsO_4 (KTA), have been made using the full potential linearized augmented plane wave (FP-LAPW) method. Total and partial densities of states of the constituent atoms of KTA have been derived. The results obtained show that the valence band of KTA is dominated by contributions of the O 2p-like states, while the Ti 3d-like states are the main contributors into the conduction band of the compound. Additionally, the FP-LAPW calculations have revealed that potassium atoms are highly ionized in KTA. In the present work, the X-ray emission spectroscopy (XES) and X-ray photoelectron spectroscopy (XPS) methods were also employed to investigate experimentally the electronic structure of potassium titanyl arsenate. For the mentioned compound, the XES K Ll, Ti L#alpha#, As K#beta#_2 and O K#alpha# bands reflecting the ...

International Nuclear Information System (INIS)

The potential use of uranium in the field of catalysis is presented in the first part of this paper. Numerous applications of uranium binary oxides, as well as mixed oxides, are reviewed with a special emphasis on the role of U-Sb-O catalysts in selective oxidation (and ammoxidation) processes. Attempts are made to correlate the electronic structure of uranium, and especially the role that 5f electrons play in bonding, with its promising catalytic properties. In the second part, new data are given for uranium-bismuth mixed oxides in the catalytic oxidation of CO by O_2. Kinetic tests performed in a flow microreactor allow a mechanism to be proposed that involves the direct participation of lattice oxygen of the catalyst in the chemical process (redox mechanism). The high activity can be related to the ability of uranium to change reversibly its oxidation state. (author).

Energy Technology Data Exchange (ETDEWEB)

Photocurrent and capacitance measurements of semiconductor passive films formed on metals and alloys can be used to study the electronic properties and reveal indirect information about structure and composition. The current work used these techniques to investigate the electronic properties of the passive films formed on three austenitic stainless steels, types 304L, 316L and 254SMO, in borate. Evidence was found for the existence of a large number of localised mid bandgap states, consistent with amorphous oxides. However, the flat-band potentials of the austenitic stainless steel passive films were found to be independent of both composition and measuring frequency. The most credible explanation for the bandgap values determined from photocurrent measurements is that the passive films are formed as dual layers, iron oxide outer layer and chromium oxide inner layer. This model does not need to evoke the potential dependent ...

International Nuclear Information System (INIS)

The authors make two points. Firstly, they emphasise that while the correlation suggested by the B.C.S. formula, Tsub(c) = 1.14 thetasub(D) exp[-1/n(Esub(F))V], between Tsub(c) and the density of states at the Fermi energy, N(Esub(F)), appears to coincide with the empirical trends, this agreement is purely fortuitous. Such a correlation is due to the influence of N(Esub(F)) on the phonon frequencies, which in turn determine the strength of the electron-phonon coupling. Secondly, they point out that their analysis, which was developed for transition metals, is directly applicable to the A-15 compounds leading to results in agreement with the work of Fradin et al. (Auth.).

International Nuclear Information System (INIS)

A series of sputtered tungsten-carbon multilayer structures with periods ranging from 2 to 12 nm in the as-prepared state and after annealing at 500 degrees C for 4 hours has been studied with high resolution transmission electron microscopy. The evolution with annealing of the microstructure of these multilayers depends on their period.As-prepared structures appear predominantly amorphous from TEM imaging and diffraction. Annealing results in crystallization of the W-rich layers into WC in the larger period samples, and less complete or no crystallization in the smaller period samples. X-ray scattering reveals that annealing expands the period in a systematic way. The layers remain remarkably well-defined after annealing under these conditions.

International Nuclear Information System (INIS)

Since the advent of the first free electron laser (FEL) in 1976 up to now, a series of principles, configurations and operation modes of these FELs have been devised and partially implemented. The principles refer to transverse FEL, longitudinal FEL, combined FEL, and transverse optical klystron FEL. Configurations may be standard or many-stage and the undulators may be magnetostatic, electrostatic or electromagnetic. The operation regimes may be low-gain Compton type, high-gain Compton type, Raman type, with and without space charge. The operation modes may be the amplification of an external coherent EM radiation, a self-amplified spontaneous emission (SASE), or an oscillator. The paper presents in detail these concepts and the limit between classical approach and the quantum approach of FEL. (Author).

Energy Technology Data Exchange (ETDEWEB)

The aim of this project is to investigate the dependence of the cross sections for dissociative electron attachment to a molecule on the initial rovibrational state of the molecule. An enhancement of the cross section results in the enhancement of the rate of production of negative ion beams. Preliminary investigations reveal that for lithium dimers, Li/sub 2/, the peak attachment cross sections can increase by almost an order of magnitude if the molecule is initially vibrationally excited to the v = 1 level. Excitation to higher vibrational levels would result in further enhancement of the attachment rates. As part of present investigations, the cross sections for vibrational excitation of various molecules, using both resonant and nonresonant mechanisms is calculated.

International Nuclear Information System (INIS)

To study the nanoscale electronic order in strongly correlated electron systems and vortex states in high-Tc superconductors in high magnetic fields, we have developed scanning tunneling microscopy (STM) for the 18 T cryocooled superconducting magnet (18T-CSM). The test results of the STM operation in the 18T-CSM at room temperature indicate that our STM has a good atomic resolution up to 18 T when we use the nonmagnetic vibration-isolation table which reduce the vibration noise from the cryocoolers of the 18T-CSM. In this paper, we report on the design of the high-field STM system for large-scale magnets and its performance.

Energy Technology Data Exchange (ETDEWEB)

We have employed Environmental Scanning Electron Microscopy (ESEM) and Energy Dispersive X-ray (EDX) analysis to study the microstructural evolution of acrylic latex stabilised with a novel polysaccharide derived from agricultural waste. The analysis revealed that the micro structure of the latex in the 'wet' state consists of individual particles and clusters. Upon evaporation a discontinuous film is formed, with voids present within its structure, which is inconsistent with the conventional descriptions of film formation. Further ESEM examination of 'dry' specimens revealed that aging resulted in the formation of dendritic structures on the surfaces of the latex films, which EDX analysis confirmed to have been formed via crystallisation of salt. The experimental evidence suggests that the clusters, which are part of the structure of the latex, may act as nucleation centres that would allow the dendrites to ...

International Nuclear Information System (INIS)

The magnicon is a highly attractive candidate to be the RF source for a future multi-Tev linear collider. Physical models and computer codes have been developed which can provide start-to-end self-consistent simulations of a magnicon, including precise simulations of the high-convergence electron gun, RF-system, magnetic system, and beam collector. The 3-D beam dynamics simulations include realistic fields, finite beam size and transverse space charge effects. The codes allow one to provide steady-state simulations of the entire tube, so as to evaluate transient process of magnicon excitation, parasitic mode self-excitation, stability analysis, and tolerance analysis. The results of the simulations are found to be in good agreement with magnicon experiments. A brief description of the physical models and simulation codes employed will be given.

CERN Document Server

Superfluidity in fermionic systems originates from pairing of fermions, and Bose condensation of these so-called Cooper pairs. The Cooper pairs are usually made of fermions of different species; for example in superconductors they are pairs of electrons with opposite spins. Thus the most favorable situation for pairing and superfluidity is when the two species of fermions that form pairs have the same density. This paper studies the possible superfluid states when the two pairing species have different densities, and show that the resultant states have remarkable similarities to the phases of liquid crystals. This enables us to provide a unified description of the possible pairing phases, and understand the phase transitions among them.

International Nuclear Information System (INIS)

Oxovanadium(IV) complexes with tridentate dibasic ONO donor schiff bases derived from salicylaldehyde, 5-chlorosalicylaldehyde, 3,5-dichlorosalicylaldehyde, 5-bromosalicylaldehyde, 3-methoxysalicylaldehyde, 2-hydroxynaphthaldehyde and 2-amino-1-propanol have been prepared and characterised by elemental analysis, infrared, electronic and ESR spectra and magnetic susceptibility measurements from 83 to 297 deg K. On the basis of these studies, presence of triplet state (S=1) and a dimeric structure with singlet ground state (S=0) have been suggested. The V=0 stretching frequencies of the complexes occur around 980 cm"-"1. (M.G.B.).

International Nuclear Information System (INIS)

The optical emission of excited H reflected from clean Cu(110) after impingement of H"+ and H_2"+ in the energy range of 250 eV to 20 keV per nucleon at 70"0 angle of incidence to the surface normal was measured. For incident 10 keV H_2"+, the highest excited hydrogen state detected was the n=10 level. The Hsub(#alpha#) yield was found to be fluence and energy dependent. This effect is attributed either to fast sputtered hydrogen, surface roughness or to an increase with hydrogen concentration in electron states of p-like symmetry near the Fermi level of copper. The Hsub(#alpha#) yield per reflected nucleon shows approximately an exponential dependence on both projectile energy per nucleon and scattered particle reciprocal velocity perpendicular to the surface. (orig.).

British Library Electronic Table of Contents (United Kingdom)

The present study was designed with an aim to analyze the effect of acute aluminium phosphide (ALP) exposure (10mg/kg b.wt, intragastrically) on the kinetic characteristics of cytochrome oxidase and energy metabolism in male Wistar rat liver mitochondria. Liver mitochondrial preparations from ALP-treated rats exhibited significant decrease (66%) in the activity of cytochrome oxidase suggesting that there was a decrease in the catalytic efficiency of the active oxidase molecules on ALP treatment. The decreased activity of cytochrome oxidase with altered NADH and succinic dehydrogenase activities might have contributed towards a significant decline in state 3 and state 4 respiration as observed. These alterations in the electron transport chain complexes in turn adversely affected the ATP sy...

Energy Technology Data Exchange (ETDEWEB)

The purpose of the present study is to develop a new method for chemical state analysis by means of EPMA(Electron probe microanalyser). The measured X-ray intensity of Si-K{beta} characteristic X-ray spectra were read-out by a 16 bit microcomputer with a RS-232C interface. And using the curve fitting method the quantitative analysis of chemical compositions in a ternary compound that constituted of the same element has been established. The present method was applied to analyse of the friction and wear properties of Si-base ceramics sliding materials. It was found that the wear debris contains both the compositions of the sliding materials and SiO{sub 2}, and the SiO{sub 2} contents in wear debris was changed with relative humidity. The results clearly showed that the proposed method is very useful for determing the compositions in the ternary compound. (author).

Energy Technology Data Exchange (ETDEWEB)

Manganese model complexes, relevant to the oxygen-evolving complex (OEC) in photosynthesis, were studied with Mn K-edge X-ray absorption near-edge spectroscopy (XANES), Mn Kb X-ray emission spectroscopy (XES), and vibrational spectroscopy. A more detailed understanding was obtained of the influence of nuclearity, overall structure, oxidation state, and ligand environment of the Mn atoms on the spectra from these methods. This refined understanding is necessary for improving the interpretation of spectra of the OEC. Mn XANES and Kb XES were used to study a di-(mu)-oxo and a mono-(mu)-oxo di-nuclear Mn compound in the (III,III), (III,IV), and (IV,IV) oxidation states. XANES spectra show energy shifts of 0.8 - 2.2 eV for 1-electron oxidation-state changes and 0.4 - 1.8 eV for ligand-environment changes. The shifts observed for Mn XES spectra were approximately 0.21 eV for oxidation ...

Energy Technology Data Exchange (ETDEWEB)

The Two-Beam Accelerator (TBA) consists of a long high-gradient accelerator structure (HGS) adjacent to an equal-length Free Electron Laser (FEL). In the FEL, a beam propagates through a long series of undulators. At regular intervals, waveguides couple microwave power out of the FEL into the HGS. To replenish energy given up by the FEL beam to the microwave field induction accelerator units are placed periodically along the length or the FEL. In this manner it is expected to achieve gradients of more than 250 MV/m and thus have serious option for a 1 TeV /times/ 1 TeV linear collider. The state of present theoretical understanding of the TBA is presented with particular emphasis upon operation of the ''steady-state'' FEL, phase and amplitude control of the rf wave, and suppression of sideband instabilities. Experimental work has focused upon the development of a suitable HGS and the ...

Energy Technology Data Exchange (ETDEWEB)

In this paper we study different effects of excited molecules on swarm parameters, electron energy distribution functions and gas discharge modeling. First we discuss a possible experiment in parahydrogen to resolve the discrepancy in hydrogen vibrational excitation cross section data. Negative differential conductivity (NDC) is a kinetic phenomenon which manifests itself in a particular dependence of the drift velocity on E=N and it is affected by superelastic collisions with excited states. A complete kinetic scheme for argon required to model excited state densities in gas discharges is also described. These results are used to explain experiments in capacitively and inductively coupled RF plasmas used for processing. The paper illustrates the application of atomic and molecular collision data, swarm data and the theoretical techniques in modeling of gas discharges with large abundances of excited molecules. It is ...

International Nuclear Information System (INIS)

Systematic analysis of the energy level schemes, ground state absorption (GSA) and covalency effects for the Ni"2"+ ion in Ca_3Sc_2Ge_3O_1_2 was performed. The recently developed first-principles approach to the analysis of the absorption spectra of impurity ions in crystals based on the discrete variational multi-electron method (DV-ME) [K. Ogasawara et al., Phys. Rev. B 64, 115413 (2001)] was used in the calculations. As a result, complete energy level schemes of Ni"2"+ and its absorption spectra at both possible crystallographic positions (distorted octahedral Sc"3"+ and tetrahedral Ge"4"+ positions) were calculated, assigned and compared with experimental data. Energies of the charge transfer (CT) transitions for both positions are estimated. Numerical contributions of all possible electron configurations into the calculated energy states were determined. By performing analysis of the molecular ...

International Nuclear Information System (INIS)

The fundamental optical properties of dysprosium (Dy) doped strontium sulfide bulk samples for various dopant concentrations from 0.1 to 1.0 at.% were investigated by X-ray diffraction (XRD), electron paramagnetic resonance spectroscopy (EPR), room temperature photoluminescence (PL), photoluminescence excitation (PLE) and diffuse reflectance spectroscopy (DRS). Investigations by electron paramagnetic resonance yielded the state of Dy in the sample as Dy3+. An additional ESR line due to F+ center was observed. The PL emission spectrum consisted of several intense lines and a number of weaker ones which were identified as transitions between energy levels of Dy3+. The optimum doping concentration for maximum intensity was found to be 0.25 at.%. Blue shift of the absorption edge energy and red shift of the PLE spectrum were observed with increasing doping concentration. The former is due to Burstein-Moss (BM) effect and the ...

Science.gov (United States)

The Knight shift of vanadium (KV) in fine V3Si particles was studied. The average diameter (\\bar{d}) ranged from 60 to 8000 A. The strong temperature dependence of the KV characteristic of high-Tc A-15 compounds was weakened in the particles. KV at 77 K increased with a decrease in \\bar{d}. The above-mentioned trends were consistent with a broadening of the sharp peak in the electronic density of states around the Fermi energy in particles resulting from a perturbation of the surface.

Science.gov (United States)

A previous paper introduced the use of wave digital filters as a basic building block for power system simulation, particularly suitable for real-time applications. This paper stresses the simulation of non-linear and switching elements, emphasizing the advantages of the wave filters implementation. The digital structure is maintained even when non-linear components change their characteristics or power electronic devices switch their states. As a very important by-product, the suppression of numerical oscillations related to the trapezoidal rule is achieved in a rather simple way, with no effects on simulation results.

International Nuclear Information System (INIS)

Impurity effects on the photon-assisted spin-polarized transport through armchair carbon nanotubes connected with ferromagnetic leads are investigated theoretically. The impurity induces one resonant state whose position depends on the impurity strength, which can break the electron-hole symmetry. Whether the impurity suppresses or enhances the spin-coherent current depends on the nanotube length. When the microwave fields are applied on the nanotube, additional small side peaks caused by the photon-assisted tunneling are found. With increasing the impurity strength, one new current peak appears under the influence of both the microwave fields and the impurity.

International Nuclear Information System (INIS)

The DC magnetic susceptibility of the REBa_2F_7 compounds was measured by a SQUID magnetometer in the temperature range 5-300 K. Except for Eu, the other compounds show either Curie law or Curie-Weiss law with relatively small values of paramagnetic Curie temperature, #theta#_p, with effective magnetic moments in the range expected of electronic ground state of the trivalent rare earth ion with appropriate J value. The behaviour of Eu is complex. (orig.).

CERN Document Server

We present results for a complete set of polarization observables for jet production in lepton proton collision, where the final state lepton is not observed. The calculations are carried out in collinear factorization at the level of Born diagrams. For all the observables we also provide numerical estimates for typical kinematics of a potential future Electron Ion Collider. On the basis of this numerical study, the prospects for the transverse single target spin asymmetry are particularly promising. This observable is given by a certain quark-gluon correlation function, which has a direct relation to the transverse momentum dependent Sivers parton distribution.

Energy Technology Data Exchange (ETDEWEB)

The authors present design methodology for high power microwave switches. Among all possible applications for such a switch they emphasize the design parameters for application to the pulse compression system associated with the Next Linear Collider (NLC). The switch is based on the excitation of a plasma layer within a silicon wafer by either a laser or an electron beam. They investigate problems associated with high power operation of such a switch. Mainly, they explore solutions to the problems of thermal runaway, avalanche breakdown, photo-emission, and secondary emission. Different design methodologies are presented.

International Nuclear Information System (INIS)

Measurements of the temperature dependence of the electrical resistivity and correlations observed with T/sub c/ for V_3Si, V_3Ge, and A-15 Nb-Ge show (i) the existence of a universal defect in the A-15 superconductors which is not nonstoichiometry, (ii) a normal state anomaly also strongly influenced by the defects, and (iii) evidence that T/sub c/ and the electron-phonon interactions for transport processes are approx.100 times more sensitive to defect producing sample modifications in the A-15 compounds than in Nb.

International Nuclear Information System (INIS)

We provide a numerically efficient procedure to perform LDA+Hubbard I calculations including self-consistency over the charge density in the FP-LAPW basis. The method is applied to Pu, Am, and PuAm and PuCe alloys. Our results for valence photoemission spectra (PES) agree with experimental data and with previous LDA+DMFT calculations. Analysis of the J=5/2 and J=7/2 contributions to the f-occupation supports the intermediate-coupling picture of f-states in heavy actinides. The electronic specific heat coefficient is calculated for PuAm and PuCe alloys in reasonable agreement with recent experiments. We show that Pu atoms keep their mixed-valence character in these alloys. Next, we study electronic and spectral properties of Pu-based superconductor PuCoGa_5 and obtain good agreement with experimental PES. Finally, we analyze surface effects. In Pu monolayer, we find substantial modification of PES due to ...

International Nuclear Information System (INIS)

K#beta#-to-K#alpha# X-ray intensity ratios of Ti, V, Cr, and Co in pure metals and their disilicide compounds have been measured following excitation by 59.54 keV #gamma#-rays from a 200 mCi "2"4"1Am point-source. The K#beta#-to-K#alpha# intensity ratios of all these metals in the disilicide compounds are found to be less than the corresponding ratios for pure metals. Comparison of the measured K#beta#-to-K#alpha# intensity ratios for the disilicides and pure metals with the multiconfiguration Dirac-Fock calculations indicates increase of the 3d electron populations of Ti, V, Cr, and Co in the disilicides from their pure metal values suggesting the rearrangement of electrons between 3d and 4s states of the individual metal atom. This rearrangement is found to be opposite to that observed in our previously reported work on NiSi_2 and CuSi_2.

Energy Technology Data Exchange (ETDEWEB)

Lining shafts and placing them in a given strata needs extensive computation. Therefore, it is natural that the use of electronic computing and of numerical methods in this mining area started early. For shafts being sunk in non-stable water-bearing strata the deformations and stresses of the freezing wall are analysed. The complex system of an outer lining in the shaft sinking stage is designed with regard to the elastic support of the strata. In cases of strata-embedded systems the tubbing liner can be shaped as the loads require. Here analysis of safety against buckling is very important. If a sliding shaft is built as a composite construction, there are advantages in determining the distribution of the material by numerical methods. The analysis of stability is possible only by numerical methods and could not be solved otherwise. The Finite Element Method proves itself as a very general tool to solve the problem of multi-axial states of ...

Energy Technology Data Exchange (ETDEWEB)

This report summarizes the progress and accomplishments in accelerator atomic physics research supported by DOE grant DE-FG02-87ER13778 from February 16, 1990 through February 15, 1993. This work involves the experimental investigation of atomic interactions in collisions of charged projectiles with neutral targets or electrons, with particular emphasis on two-electron interactions and electron-correlation effects. The processes studied are of interest both from fundamental and applied points of view. In the latter case, results are obtained which are relevant to the understanding of laboratory and astrophysical plasmas, highly-excited (Rydberg) and continuum states of atoms and ions, atomic structure effects, the interaction of ions with surfaces, and the development of heavy-ion storage-rings. The results obtained have provided the basis for several M.A. thesis projects at Western Michigan and several ...

Energy Technology Data Exchange (ETDEWEB)

The total and state-specific electron-ion recombination rate coefficients are obtained for FeI. The calculations are carried out using a new ab initio method that incorporates both the radiative and the dielectronic recombination processes in an unified and self-consistent manner. The computations employ the close coupling approximation and the R-matrix method from atomic collision theory. A 52 state close coupling eigenfunction expansion dominated by the states of the ground 3d{sup 6}4s and excited 3d{sup 7}, 3d{sup 6}4p, 3d{sup 5}4s{sup 2}, and 3d{sup 5}4s4p configurations of FeII are used in the present calculations. The important electron correlation and radiation damping effects are included via explicit coupling of autoionization and radiative channels. This is the first detailed atomic calculation for the recombination rates for FeI. The present rates are considerably higher ...

International Nuclear Information System (INIS)

Single phase amorphous Al_xHf_1_0_0_-_x alloys with a wide amorphization range (33#<=#x#<=#75) were synthesized by the solid-state interdiffusion of pure polycrystalline Al and Hf powders at room temperature using a rod-milling technique. The mechanisms of metallic glass formation and competing crystallization processes in the mechanically deformed composite powders were investigated by means of X-ray diffraction, differential thermal analysis, scanning electron microscopy and transmission electron microscopy. The numerous intimate layered composite particles of the diffusion couples that formed during the first and intermediate stages of milling (0-173 ks) are intermixed to form amorphous phase(s) upon heating to about 980 K by so-called thermally assisted solid-state amorphization (TASSA). The amorphization heat formation for the binary Al_xHf_1_0_0_-_x system via TASSA, #DELTA#H"T"A"S"S"A_a, ...

Energy Technology Data Exchange (ETDEWEB)

The acid-base behavior of the ground and excited states of Pt(qdt){sub 2}{sup 2{minus}} and Pt(phen)(qdt), where qdt=quinoxaline-2,3-dithiolate and phen = 1,10-phenanthroline, has been studied. The pH-dependent changes in the charge-transfer absorption and emission spectra for both complexes are attributed to protonation of the quinoxalinedithiolate ligand at the imine nitrogen. For Pt(qdt){sub 2}{sup 2{minus}}, single protonation leads to a large red shift (2582 cm{sup {minus}1}) of the low-energy charge-transfer-to-dithiolate absorption band and the emergence of a new red-shifted emission feature at 728 nm. In solutions of pH below 6, a second protonation takes place at the other qdt ligand, yielding Pt-(Hqdt){sub 2}. This neutral complex has been isolated and characterized by {sup 1}H NMR spectroscopy and elemental analyses. The ground-state basicity constants of the two protonation steps have been determined from spectrophotometric ...

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A strong dependence of thermal activation energy (TAE) on infrared (IR) stimulation time for the infrared stimulated luminescence (IRSL) signal was observed for K-feldspar grains extracted from several sediments and granites from China. A TAE value as low as {approx}0.1 eV was observed at the beginning of IR stimulation and increased to {approx}0.45 eV after 90 s. For a trap depth of {approx}2 eV below the conduction band for the IRSL traps, the TAE value of {approx}0.45 eV is consistent with the energy gap between the excited states ({approx}0.5 eV below the conduction band) and conduction band. This phenomenon is explained as the result of the coexistence of thermally assisted recombination via conduction band or band-tail states hopping and athermal tunnelling recombination of electrons from the excited states under IR stimulation, leading to the observation of a higher anomalous fading rate in the ...

International Nuclear Information System (INIS)

For the first time, rheological phase method, a simple and effective route, is applied to synthesize novel cathode material LiCoPO4. X-ray diffraction spectrometer (XRD), X-ray photoelectron spectrometer (XPS), transmission electron microscope (TEM) and electrochemical impedance spectroscopy (EIS) are taken to investigate this material, respectively. XRD figure shows that the rheological sample is better crystallized than the solid-state one. XPS result of the rheological sample exhibits that the valence of Co is 2+. TEM images show that better dispersed particles with smaller size can be formed by rheological method comparing to the solid-state route. Charge-discharge test is carried out in the range of 3.0-5.0 V at 0.2 mA cm-2. The initial discharge capacity for rheological phase and solid-state powder is 71.5 and 30.9 mAh g-1, respectively. The better electrochemical property should be ascribed to ...

International Nuclear Information System (INIS)

The temperature dependence of T_1 spin-lattice relaxation time on "5"1V, "6"9Ga, "7"1Ga and Knight shift on "5"1V and "2"9Si nuclei in polycrystalline V_3Si, V_3Ga, V_3Ge and in the monocrystal V_3Si in normal state is investigated. For V_3Si and V_3Ga a rapid growth (T_1T)"-"1 is observed with temperature decrease while for V_3Ge the maximum (T_1T)"-"1 at T approximately equal to 60 K has been found. The temperature dependence peculiarities have been discussed on the basis of theoretical models available and zone structure calculations for A-15 compounds. The T_1 anisotropy and possibility of its experimental discovery are considered. Anisotropic contribution in (T_1T)"-"1 and contributions of d states of different symmetries into the electron state density at the Fermi level are estimated for V_3Si from T_1 measurements.

International Nuclear Information System (INIS)

K#beta#-to-K#alpha# x-ray intensity ratios of Fe and Ni in pure metals and in Fe_xNi_1_-_x alloys (x=0.20, 0.50, 0.58) exhibiting similar crystalline structure have been measured following excitation by 59.54 keV #gamma# rays from a 200 mCi "2"4"1Am point source to understand why the properties of the Fe_xNi_1_-_x (x=0.2) alloy are distinct from other alloy compositions. The valence electronic structure of Fe and Ni in the samples has been evaluated by comparing the measured K#beta#-to-K#alpha# intensity ratios with the results of multiconfiguration Dirac-Fock calculations. Significant changes in the 3d electron population (with respect to the pure metal) are observed for Fe and Ni for certain alloy compositions. These changes can be explained by assuming rearrangement of electrons between 3d and (4s,4p) band states of the individual metal atoms. It has been found that the valence ...

Science.gov (United States)

... TECHNICAL REPORT ARBRL-TR-02476 SCANNING ELECTRON MICROSCOPE ... SCANNING ELECTRON MICROSCOPE EXAMINATION OF ...

ScienceCinema

...english ...

Energy Technology Data Exchange (ETDEWEB)

No abstract prepared.

Energy Technology Data Exchange (ETDEWEB)

This manual describes the use of the Xyce Parallel Electronic Simulator. Xyce has been designed as a SPICE-compatible, high-performance analog circuit simulator, and has been written to support the simulation needs of the Sandia National Laboratories electrical designers. This development has focused on improving capability over the current state-of-the-art in the following areas: (1) Capability to solve extremely large circuit problems by supporting large-scale parallel computing platforms (up to thousands of processors). Note that this includes support for most popular parallel and serial computers. (2) Improved performance for all numerical kernels (e.g., time integrator, nonlinear and linear solvers) through state-of-the-art algorithms and novel techniques. (3) Device models which are specifically tailored to meet Sandia's needs, including some radiation-aware devices (for Sandia users only). (4) ...

International Nuclear Information System (INIS)

We apply our previously developed first-principles nonlocal pseudopotentials (obtained for all atoms of rows 1--5 in the Periodic Table) to study self-consistently the electronic structure of Si and Ge and the transition metals Mo and W. For Si and Ge we find that the first-principles pseudopotentials yield valence-band states in good agreement with the empirically adjusted pseudopotential and photoemission data, whereas the low conduction-band states appear to be consistently lower in energy due apparently to incomplete cancellation of the self-interaction effects. The calculated x-ray scattering factors (obtained by core orthogonalization of the pseudo-wave-functions) are in excellent agreement with experiment. The self-consistent valence charge density shows a distinct elongation of the covalent bond along the internuclear axis, in good agreement with the experimentally synthesized density. The systematic deviations of ...

International Nuclear Information System (INIS)

A systematic study for the materials design of III-V and II-VI compound-based ferromagnetic diluted magnetic semiconductors is given based on ab initio calculations within the local spin density approximation. The electronic structures of 3d-transition-metal-atom-doped GaN and Mn-doped InN, InP, InAs, InSb, GaN, GaP, GaAs, GaSb, AlN, AlP, AlAs and AlSb were calculated by the Korringa-Kohn-Rostoker method combined with the coherent potential approximation. It is found that the ferromagnetic ground states are readily achievable in V-, Cr- or Mn-doped GaN without any additional carrier doping treatments, and that InN is the most promising candidate for high-T_C ferromagnet. A simple explanation of the systematic behavior of the magnetic states in III-V and II-VI compound-based diluted magnetic semiconductors is also given. It is also shown that V or Cr-doped ZnS, ZnSe, and ZnTe are ferromagnetic without p- or n-type doping ...

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Individual nanoscale building blocks exhibit a wide range of size-dependent properties, since their size can be tuned over known characteristic length scales of bulk materials. In the last several years, the possibility of combining different materials in the form of two and three component nanoparticles (NPs) has been extensively explored. Also multi-component materials can be obtained via self-assembly of NPs from their binary colloidal mixtures. These new nanocrystal solids may possess tunable collective properties that originate from interactions between size and composition controlled building blocks. Exchange coupling between neighboring NPs of magnetically soft and hard materials enhances the magnetic energy product of the nanocomposite material. Randomly mixed solids of small and large semiconducting CdSe NPs revealed enhancement of photoluminescence intensity of large semiconductor particles accompanied by quenching of photoluminescence of the small particles because of ...

International Nuclear Information System (INIS)

A next generation e"+-e"- linear collider in the TeV range can be converted into a #gamma#-#gamma# collider by converting it to e"--e"- operation and then generating #gamma#-rays via Compton backscattering with optical beams. This provides unique access to some areas of fundamental physics as well as highly desirable redundancy to the collisions. The required optical beam (with a wavelength of about 1 micron) must have very high peak power, (about 1 TW) as well as average power (about 10 kW). To achieve a 1 : 1 conversion from an electron to #gamma#-quantum, each micropulse must contain about one Joule and must be about one picosecond long, the micropulse peak power being about one Terawatt. To match the electron beam pulse structure, a macropulse consists of a sequence of about one hundred micropulses separated by about one nanosecond, and the macropulses am repeated at a rate of about 100 Hz. Thus, the time average power is about 10 kW ...

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We report the results of ab initio calculations of cross sections and molecular-frame photoelectron angular distributions for C 1s ionization of CO2, and propose a mechanism for the recently observed asymmetry of those angular distributions with respect to the CO^+and O^+ions produced by subsequent Auger decay. The fixed-nuclei, photoionization amplitudes were constructed using variationally obtained electron-molecular ion scattering wave functions. We have also carried out electronic structure calculations which identify a dissociative state of the CO2^++ dication that is likely populated following Auger decay and which leads to O^+ + CO^+ fragment ions. We show that a proper accounting of vibrational motion in the computation of the photoelectron angular distributions, along with reasonable assumptions about the nuclear dissociation dynamics, gives results in good agreement with recent experimental observations. We also ...

International Nuclear Information System (INIS)

In this study, free electron laser (FEL) with selective wavelength was used to induce structure changes of biomolecules, which were characterized by FTIR spectroscopy. For understanding of the interactions between FEL and biomolecules as well as biological tissues, the biomolecules investigated are ATP, ADP, AMP, t-RNA, D-ribose and the complex of SmCl_3-D-ribose. Their FTIR spectra before and after irradiation of FEL show molecular structure variations of the samples after irradiation of FEL, especially the rearrangement of their hydrogen bond networks. Along with the various irradiation wavelengths, irradiation time and molecular structures, the changes after irradiation are different for these molecules. In the FTIR spectra after irradiation, the phenomenon that the bands split into several peaks indicates the existence of several structures, conformations and configurations, which may be prompted by multiple photons process induced by FEL. After irradiation, ...

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The nature of the 5f electronic structure of plutonium (Pu) remains unclear. [1] Despite many recent attempts to resolve the issue, a plethora of important unanswered questions remain. While many theoretical approaches to the problem have been promulgated, the real source of the difficulty is the absence of sufficient experimental benchmarking. This paucity of impact on the part of experimental results is driven in part by the difficulties of working with Pu: it is highly radioactive, biologically toxic, chemically reactive and restricted in its distribution and permitted access to user facilities. The results of these liabilities include the following: (1) it is very difficult, if not impossible, to get large single crystals of single phase samples and; (2) many state of the art experiments can not be done because general user facilities are not available for use with Pu samples. Additionally, there is the apparently bizarre nature of Pu, ...

Energy Technology Data Exchange (ETDEWEB)

Nanocomposites containing polyethylene (PE) and montmorillonite clay organically modified (OMMT) with quaternary ammonium salts were obtained via direct melt intercalation. A montmorillonite sample from the Brazilian state of Paraiba was treated with four different types of quaternary ammonium salts. After the treatment, the powder was characterized by X-ray diffraction and scanning electron microscopy. The dispersion and morphologies of OMMT within PE were investigated by X-ray diffraction and transmission electron microscopy. The results revealed the formation of intercalated montmorillonite layers in the PE matrix. The thermal stability and flammability of the PE/montmorillonite clay nanocomposites were measured by thermogravimetry and horizontal burning tests for HB classification, Underwrites Laboratories (UL 94), respectively. It was shown that the samples do not degrade at the processing temperature. By adding only 3 ...

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A Numerical study of beam dynamics was performed for two injector systems for the proposed National High Magnetic Field Laboratory at the Florida State University (FSU) Free Electron Laser (FEL) facility. The first considered a system consisting of a thermionic DC gun, two buncher cavities operated at 260 MHz and 1.3 GHz and two TESLA type cavities, and is very similar to the injector of the ELBE Radiation Source. The second system we studied uses a DC photogun (a copy of JLab FEL electron gun), one buncher cavity operated at 1.3 GHz and two TESLA type cavities. The study is based on PARMELA simulations and takes into account operational experience of both the JLab FEL and the Radiation Source ELBE. The simulations predict the second system will have a much smaller longitudinal emittance. For this reason the DC photo gun based injector is preferred for the proposed FSU FEL facility.

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New oxomolybdenum(V) complexes MoOClL (where LH/sub 2/ = Schiff base) derived from ethanolamine and salicylaldehyde, 5-chlorosalicylaldehyde, 5-bromosalicylaldehyde, 5-nitrosalicylaldehyde, 3-ethoxysalicylaldehyde and 2-hydroxy-1-naphthaldehyde have been synthesized and characterised by elemental analyses, conductance, molecular weight, I.R. and electronic spectra and magnetic measurements. The Schiff bases behave as dibasic tridentate ONO donor ligands. The complexes are non-electrolytes and dimers. The complexes exhibit subnormal magnetic moments and are involved in antiferromagnetic exchange with S = 0 ground state. The complexes exhibit electronic spectral bands at ca. 13000 and ca. 17000 cm/sup -1/ due to the transitions dsub(xy)- > dsub(xz,yz) (/sup 2/B/sub 2/- > /sup 2/E) and dsub(xy)- > dsub(x2-y2) (/sup 2/B/sub 2/- > /sup 2/B/sub 1/), respectively. The ..nu..(Mo = O) frequency of the complexes is ...

International Nuclear Information System (INIS)

The band structure (BS) of crystalline Bi_2Se_2Te both pure as well as deposited on Si or SiO_2 (substrates) was calculated for the first time. The calculation approach consists of an orthogonalization of the plane wave basis set with respect to the core-like orbitals and the application of the Perdew-Alder exchange-correlation scheme. In addition, a virtual crystal approach was applied. Experimental ellipsometric spectra were used as a criterion of the advantages of the different calculation techniques. The results of traditional one-electron methods of BS calculations, using norm-conserving pseudo-potential (NCPP), and full linear augmented plane wave (FLAPW), were compared with the experimental data. Better agreement with experiment is achieved when the NCPP wave functions are orthogonalized to the 4dBi core-like states. Concerning the LMTO and the FLAPW all-electron methods, only appropriate application of the virtual ...

International Nuclear Information System (INIS)

Due to the increased computer power and advanced algorithms, quantum mechanical calculations based on Density Functional Theory are more and more widely used to solve real materials science problems. In this context large nonlinear generalized eigenvalue problems must be solved repeatedly to calculate the electronic ground state of a solid or molecule. Due to the nonlinear nature of this problem, an iterative solution of the eigenvalue problem can be more efficient provided it does not disturb the convergence of the self-consistent-field problem. The blocked Davidson method is one of the widely used and efficient schemes for that purpose, but its performance depends critically on the preconditioning, i.e. the procedure to improve the search space for an accurate solution. For more diagonally dominated problems, which appear typically for plane wave based pseudopotential calculations, the inverse of the diagonal of (H - ES) is used. However, for ...

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Interpretative transport has been used to revisit the global scalings of TJ-II ECRH plasmas from a local perspective. Density, rotational transform and ERCH power scans were analysed based upon Thomson Scattering data (electron density and temperature) in steady state discharges. A simple formula to obtain the thermal conductivity, assuming pure diffusion and negligible convective heat fluxes was used in a set of 161 discharges. All the analysis was performed with the ASTRA transport shell. The density scan indicates that inside n=0,4 there is no significant change of e with density in the range studied (0.4 <ne>(1019m-3) 1.0), while in 0,5 <0,8 approximately, e decreases with density. In the rotational transform scan it is found that the values of e when a low order rational of the rotational transform is present locally seem to be smaller for the corresponding range, although it is apparent a general beneficial effect of ...

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Semiconducting properties of passive films formed on AISI 304 stainless steel grade were investigated by capacitances measurements in chloride containing aqueous solutions for different surface finishes: BA (bright annealing in hydrogen containing atmospheres) and 2B (standard annealing in oxidising atmospheres followed by pickling in acid, then water rinsing). Mott-Schottky analysis shows that for high enough electrode potential, and whatever the surface finish, the films behave like n-type semiconductors. 2B passive film appears to be more donor-doped than BA one and the density of donor states increases with chloride concentration. The electron donor levels are assumed to be generated by negatively charged cations vacancies produced by the chloride ions reaction with the outer passive film. This reaction looks easier for 2B than BA condition, which explains why BA resists better than 2B to pit nucleation.

Energy Technology Data Exchange (ETDEWEB)

Dipole and quadrupole excitations in the semimagic N{sup .} = 50 nucleus {sup 88}Sr were investigated at the superconducting electron linear accelerator ELBE with bremsstrahlung produced at electron energies of 9.0, 13.2, and 16.0 MeV. About 160 {gamma} transitions were identified up to 12 MeV. By using polarized photons linear polarizations of about 50 {gamma} transitions were measured. In the energy range of 6 - 12 MeV there is only one M1 transition while all other transitions have E1 character. Statistical methods were applied in order to filter out inelastic transitions and to correct the intensities of the ground-state transitions for their branching ratios. The photoabsorption cross section obtained in this way provides information about the extension of the Giant Dipole Resonance towards energies below the neutron-separation energy. The experimental results are compared with existing data beyond the ...