International Nuclear Information System (INIS)

The structural, electronic and optical properties of ZnX and CdX (X = Se, Te and S) are studied using density functional theory by the Wien2k package. The energy band gap, real and imaginary parts of the dielectric function, energy loss function, optical absorption coefficient and reflectivity spectra of these compounds are calculated. The Engel-Vosko approach improves the energy band gaps of ZnX and CdX compounds. The calculated optical parameters are in good agreement with available experimental results, particularly in the Engel-Vosko approach. Furthermore the effect of hydrostatic pressure on the energy band gap, the real and imaginary parts of the dielectric function of these compounds is studied. The first and second order pressure coefficient for the energy band gaps, the static dielectric ...

Science.gov (United States)

Generally the photonic band gap (PBG) is a multi-variable function of several parameters related to the shape and size of the dielectric columns of photonic crystals (PhCs), and a time-consuming step-by-step scanning process for each parameter has to be used to find their best combination yielding maximum PBG. In this letter, the widely used Nelder-Mead simplex algorithm is introduced to optimize these parameters simultaneously to find a larger PBG for a new kind of two-dimensional (2D) hexagonal GaAs-Air PhC. This structure can be conveniently produced by the single-exposure holographic lithography, and the specific holographic design is also systematically investigated. This study reveals that the band gaps of PhCs made by holographic lithography may be widened by introducing irregularity of the columns and lowering the symmetry of the structure.

International Nuclear Information System (INIS)

Energy band diagrams of LaCuOCh (Ch = S, Se and Te) were calculated by a full-potential linearized augmented plane-wave method. The calculations, based on the local density approximation with/without an on-site Coulomb repulsion parameter, were to examine the energy levels of La 4f states. The results of the calculations showed that the on-site correlation parameter is necessary for evaluating the energy levels of La 4f states appropriately. The calculations for LaCuOCh with the on-site correlation parameter revealed that LaCuOS and LaCuOSe have almost the same energy band structure with a direct allowed-type band gap, while LaCuOTe has significantly different conduction band structure that exhibits an indirect-type band gap. This difference in electronic structure between ...

International Nuclear Information System (INIS)

Ab initio calculations of the electronic structure were performed for the silver palladium oxide, Ag_2PdO_2, by the full potential mixed linearized augmented plane wave and augmented plane wave plus local orbitals method (mixed LAPW/APW+lo) within the density functional theory and using the generalized gradient approximation (GGA96, Phys. Rev. Lett. 77 (1996) 3865) for the exchange-correlation potential. The lattice parameters were calculated from the ground-state total energy versus volume curve, and are in good agreement with the available experimental results. Our calculations of band structure predicted that the compound Ag_2PdO_2 has indirect band gap, and the Pd 4d states strongly hybridize with the O 2p states all over the valence bands and conduction bands. The valence bands are composed mainly of Ag, Pd 4d ...

International Nuclear Information System (INIS)

Photonic band gap structures with single or multiple defects show potential for use in single-beam and multi-beam klystrons and particle accelerators. The primary concerns are the coupling between the modes at each individual defect site and the damping of unwanted higher order modes. A conceptual design of a PBG based, multi-beam klystron and methods to damp HOMs and to cool and tune the structure are presented.

British Library Electronic Table of Contents (United Kingdom)

Abstract Electronic structures of two representative zigzag and armchair models of aluminum phosphide nanotube (AlPNT) were investigated by density functional theory calculations. The structures were optimized and the bond lengths, tip diameters, band gaps, and dipole moments were calculated. Moreover, the quadrupole coupling constants (CQ) were calculated for the Al-27 atoms of the optimized structures. The same values of AlP bond lengths were calculated for both models. The larger value of band gap of armchair model than the zigzag model indicated the stronger dielectric property for the former model. The values of CQ(27Al) were the largest for the Al atoms placed at the tips of both zigzag and armchair AlPNT than other Al atoms, which could reveal dominant role of the Al atoms placed at...

British Library Electronic Table of Contents (United Kingdom)

Plasma polymerization of aniline is carried out in a radiofrequency plasma reactor and the effect of polymerization time is examined in the structural, optical and optoelectronic properties of deposited films. Conjugated structures of polyaniline like films are obtained with unique and broad optical absorption band in the ultraviolet and entire visible region. The width of the absorption band increases and hence the optical band gap decreases with polymerization time. The optical constants are extracted by Swanepoel method and the optical dispersion parameters are determined by employing the Wemple-DiDomenico single oscillator model. The films exhibit similar thermal stability in air and argon atmosphere in the region of interest for optoelectronic applications. The photoluminescence study...

International Nuclear Information System (INIS)

We give a theoretical design for a locally resonant two-dimensional cylindrical structure involving a pair of C-shaped voids in an elastic medium which we term as double 'C' resonators (DCRs) and imbedded thin stiff bars, that displays the negative refraction effect in the low frequency regime. DCRs are responsible for a low frequency band gap which hybridizes with a tiny gap associated with the presence of the thin bars. Using an asymptotic analysis, typical working frequencies are given in closed form: DCRs behave as Helmholtz resonators modeled by masses connected to clamped walls by springs on either side, while thin bars behave as a periodic bi-atomic chain of masses connected by springs. The discrete models give an accurate description of the location and width of the stop band in the case of the DCR and the first two dispersion bands for the periodic thin ...

International Nuclear Information System (INIS)

We present a comprehensive, up-to-date compilation of band parameters for the technologically important III - V zinc blende and wurtzite compound semiconductors: GaAs, GaSb, GaP, GaN, AlAs, AlSb, AlP, AlN, InAs, InSb, InP, and InN, along with their ternary and quaternary alloys. Based on a review of the existing literature, complete and consistent parameter sets are given for all materials. Emphasizing the quantities required for band structure calculations, we tabulate the direct and indirect energy gaps, spin-orbit, and crystal-field splittings, alloy bowing parameters, effective masses for electrons, heavy, light, and split-off holes, Luttinger parameters, interband momentum matrix elements, and deformation potentials, including temperature and alloy-composition dependences where available. Heterostructure band offsets are also given, on an absolute scale ...

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)

We studied the effects of co-doping with Li and Al on the energy gaps of MgB2 by performing point-contact Andreev-reflection spectroscopy (PCAR) in polycrystalline Mg1-x(Al?Li1-?)xB2 samples with x?0.4. Even though the lattice parameters and the critical temperature of the compound simply scale with the effective Al content ?x, irrespective of the Li concentration, the energy gaps do not. In particular, for a given effective Al content, the comparison with Mg1-y(Al)yB2 with y = ?x shows that the ? bandgap is practically the same while the ? bandgap is higher. A clear gap merging is observed in the most doped sample (x = 0.4) when Tc<20 K. The results are discussed within the two-band Eliashberg theory and compared to the outcomes of first-principles calculations of the effects of Li and Al co-doping on the electronic structure of magnesium diboride.

International Nuclear Information System (INIS)

We report the results of a theoretical study of the electronic and structural properties of the hexagonal beryllium nitride, using first principle pseudopotential plane wave (PP-PW) as well as full potential linearized augmented plane wave (FP-LAPW) methods within density functional theory. In the case of PP-PW we generated the pseudopotential by the highly optimized Q_c-tuning method and used the local density approximation and generalized gradient approximation (GGA) for the exchange-correlation potential. We applied pressure on the unit cell by the Wentzcovitch and traditional methods. In the FP-LAPW approach only the GGA was used for the exchange-correlation potential. Our calculated values for structural properties, based on both approaches are in reasonable agreement with experimental and other theoretical (Hartree Fock) results. By applying the above two approaches and also the Tight Binding Linear Muffin Thin Orbital method, the ground ...

Science.gov (United States)

By using a model dielectric matrix in electron self-energy evaluations the computational effort of a quasiparticle band-structure calculation for a semiconductor is greatly reduced. Applications to various systems with or without inversion symmetry, having narrow or wide band gaps, and semiconductor alloys demonstrate the reliability and accuracy of the method. Calculations have been performed for thirteen semiconducting or insulating materials: Si, LiCl, AlP, AlAs, AlSb, GaP, GaAs, GaSb, InP, InAs, InSb, and the Al{sub 0.5}Ga{sub 0.5}As and In{sub 0.53}Ga{sub 0.47}As alloys. Excellent agreement with experimental results is obtained for the quasiparticle energies for these materials. The only three exceptions, {ital E}({Gamma}{sub 1{ital c}}) of AlP, {ital E}({ital L}{sub 1{ital c}}) of AlAs, and {ital E}({ital L}{sub 1{ital c}}) of AlSb are discussed and attributed to various experimental ...

Energy Technology Data Exchange (ETDEWEB)

The passive films formed on 316L stainless steel in various NaCl solutions have been investigated by capacitance measurements (Mott-Schottky). Pitting parameters have been determined using the galvano-kinetic polarisation method. The obtained results reveal the existence of a shallow and a deep donor level localised in the band gap of the semiconducting oxide film. These energy levels are due to iron ions in the tetrahedral and octahedral positions. It also appears that the participation of the deep donor level effects the electric field. The study developed allows us to compare characteristic parameters of the electronic structure of the passive film to those related to pitting susceptibility. (authors) 25 refs.

International Nuclear Information System (INIS)

In this work we study the structural and electronic properties of Be chalcogenides (BeS, BeSe and BeTe) using two different methods: the full-potential linear augmented-plane wave (FP-LAPW) and the plane-wave pseudopotential (PPsPW). The exchange-correlation effects are treated in the local-density approximation (LDA) and the generalized-gradient approximation (GGA). We have evaluated the ground-state quantities such as equilibrium volume, bulk modulus and its pressure derivative as well as the elastic constants. Various structural phase transitions were considered here in order to confirm the most stable structure and to predict the phase transition under hydrostatic pressure. In addition we have studied the band structure and the density of states, which show a wide indirect band gap for these compounds. These results were in favourable ...

International Nuclear Information System (INIS)

GaAs1-xPx p-n junction structures were grown on the epi-ready n-type GaAs(100) substrate by solid source MBE system for different phosphor compositions. To obtain the lattice-match sample structure was applied graded growth procedure. The structural and optical properties of the sample structures with different P concentration were investigated by using X-ray diffraction (XRD), spectroscopic ellipsometry (SE). In addition, The range of lattice parameters in the graded epilayer and phosphorous composition were determined from the HRXRD rocking curve simulation. We analyse dielectric function spectra of disordered GaAs1-xPx junction structures measured using spectroscopic ellipsometry at room temperature in the 0.6-4.7 eV photon energy region. The critical energy points such as band gap energy and spin-orbit-split energy of these ...

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The dispersion curves E(k-bar) have been calculated for bound and resonant (110) surface states of AlSb, AlAs, and AlP. AlSb is predicted to have no surface states within the bulk fundamental band gap, but AlAs and AlP are predicted to have surface state band minima which are very near the conduction band edge, and could lie either within the gap or immediately above the edge.

British Library Electronic Table of Contents (United Kingdom)

Indium sulfide thin films consisting of porous network of nanoplatelets, have been deposited using chemical bath deposition (CBD) method onto the tin-doped indium oxide (ITO) coated glass substrate. Aqueous solutions of indium sulfate and thioacetamide have been used as indium and sulfur precursors. As a complexing agent, acetic acid was used. The chemically deposited indium sulfide thin films were examined for their structural, surface morphological and optical characterizations. The X-ray diffraction analysis revealed the formation of the cubic b-In2S3 onto the substrate. From scanning electron micrograph, it is observed that the surface of substrate is covered by nanoporous platelets type morphology. The optical studies showed a direct band gap of 2.84eV for indium sulfide platelets. Ph...

British Library Electronic Table of Contents (United Kingdom)

Inspired by the recent realizations of quantum dot (QD)-DNA conjugation, we study the spectral density of a magnetic impurity coupled to a mesoscopic semiconducting host. Using a combination of exact diagonalization technique and an analytic approach, we demonstrate that various types of resonances occur according to the relative position of impurity levels (IL) with respect to the host levels (HL). While the usual Coulomb peaks appear when the IL lie inside a band gap, with IL approaching HL and hybridization activated, they shift nonlinearly with the repulsion strength and even undergo splitting for a strong hybridization. When IL merge into HL, multiple resonances of a comblike structure are found along with a parity effect.

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The low-power operation of a semiconductor buried-heterostructure Raman laser is reported. We are developing these devices for very wide-band optical communication in the terahertz frequency region. It has a structure with a GaP active layer and Al{sub {ital x}}Ga{sub 1{minus}{ital x}}P cladding layers, which are grown by the temperature-difference method under controlled vapor pressure. By making the stripe width 30--40 {mu}m, we have obtained a threshold pump power of 500 mW. A low-threshold semiconductor Raman laser can be pumped by semiconductor injection lasers. We have measured the optical loss of the waveguide and detected the contribution from scattering and leakage at heterointerfaces.

Energy Technology Data Exchange (ETDEWEB)

The thermophotovoltaic (TPV) option was not selected for further deep space mission technology development in NASA for several reasons. Chief among them was the large radiator required to keep the photovoltaic cells at a sufficiently low operating temperature. This led to significant integration problems with the spacecraft and limited sensor view angles. It is clear that the issue of cell temperature is crucial for space applications because of radiator size and system impact. Many efforts have focused on matching cell band gap to appropriate emitters in the 1 to 2 {mu}m range, resulting in band gaps in the 0.5 to 0.8 eV range. However, low band gaps lead to low open circuit voltages ({approximately}0.25 to 0.45 V) caused by high intrinsic carrier concentrations (n{sub i}{sup 2}). Thus, in order to obtain high performance. Photovoltaic cell temperatures must be ...

International Nuclear Information System (INIS)

We present results from the first studies of electric-field effects on optical transitions in visible-band-gap InGaP/InAlGaP multiple-quantum-well (MQW) structures. These structures, grown at 775 degree C by metalorganic vapor phase epitaxy on (100) GaAs substrates misoriented 6 degree towards P(111)right-angle left-angle 111 right-angle A, consist of nominally undoped MQWs surrounded by doped In_0_._4_9Al_0_._5_1P cladding layers to form p-i-n diodes. The Stark shifts of various allowed and forbidden quantum-well transitions were observed in bias-dependent electroreflectance spectra of In_0_._4_9Ga_0_._5_1P/In_0_._4_9(Al_0_._5Ga_0_._5)_0_._5_1P MQW samples with 10-nm-thick layers. We find the magnitude of these shifts to depend on the details of the Mg doping profile, confirming the importance of Mg diffusion and unintentional background doping in these materials. Our results show that (InAlGa)P materials are promising for ...

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In this study, WO{sub 3} thin films were grown on glass substrates using an aqueous solution containing tungstate (NH{sub 4}){sub 2}WO{sub 4} as precursor. The substrate temperature incremented from 250 to 500 deg. C, by steps of 50 deg. C. The structural properties were investigated using XRD, atomic force microscopy and scanning electronic microscopy techniques. Microprobe analyses showed that a balanced stoichiometric composition was obtained for thin films prepared at T{sub s} = 350 and 400 deg. C. The X-ray diffraction analyses showed different structure crystallography in function of the substrate temperature. Moreover, films deposited at 400 deg. C were annealed in air for 2 h at 450 and 500 deg. C, respectively and the structural changes due to heat treatment were studied. Finally, the optical properties of these films were carried out using optical measurements of transmittance T({lambda}) and reflectance ...

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The structure of hydroxylated oxide films (passive films) formed on Cr(110) in 0.5 M H{sub 2}SO{sub 4} at +0.35, +0.55, and +0.75 V/SHE has been investigated by in situ scanning tunneling microscopy (STM). Cathodic reduction pretreatments at {minus}0.54, {minus}0.64, and {minus}0.74 V/SHE destroy the well-defined topography of the single-crystal electrode and they have been excluded from the passivation procedure. Two different passive film structures have been observed, depending on the potential and time of passivation. At low potential (+0.35 V/SHE), the passive film, consisting mostly of chromium hydroxide, has a noncrystalline and granular structure whose roughness suggests local variations of thickness of ca. {+-} 0.5 nm. A similar structure is observed at higher potential (+0.55 V/SHE), but only for a short polarization time. For longer polarization at 0.55 V/SHE, and at higher potentials (+0.75 ...

Science.gov (United States)

Beta silicon carbide is an excellent candidate semiconductor material for demanding applications in high power and high temperature electronic devices due to its high breakdown voltage, relatively large band gap, high thermal conductivity and high melting...

International Nuclear Information System (INIS)

Novel CdS hollow microspheres have been successfully synthesized via a facile template-free solution-phase reaction from cadmium nitrate and thioacetamide precursors. The morphology of CdS hollow microspheres depends strongly on the ratio between the precursors, cadmium nitrate to thioacetamide ratio. The physical properties of the hollow microspheres have systematically been studied by different characterization methods. The stoichiometry of the hollow microspheres studied by the energy dispersive X-ray diffraction spectroscopy confirmed that the synthesized CdS hollow microspheres are nearly stoichiometric bulk like CdS. The morphology of the hollow microspheres studied by high resolution scanning electron microscopy and transmission electron microscopy observations showed that the CdS hollow microspheres of the size of 2.5 ?m have hollow structure and are constructed by several nanoparticles of the size between 30 and 40 nm. The UV-visible diffuse reflectance ...

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We present the results of a comprehensive study of the temperature dependences of the quantum efficiency for ultraviolet detectors based on GaAs, GaP and 4H--SiC Schottky structures, and on Si, GaAs p-n structures. For ultraviolet detectors based on Schottky structures, the quantum efficiency increases with increasing temperature for all photon energies, even including the semiconductor intrinsic absorption region. On the other hand, for ultraviolet detectors based on p-n structures, the quantum efficiency is practically temperature independent in the semiconductor intrinsic absorption region. The change in the quantum efficiency for the GaAs and Si detectors is less than 0.01% per degree. To explain the measurements, a variable trap occupancy model is presented. Subsurface imperfections of the semiconductor cause fluctuations in the profile of the conduction ...

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Band-structure studies of NbN and VN are reported. The results of angle-resolved photoemission experiments performed on NbN/sub 0.93/ and VN/sub 0.89/ are presented. The bulk-band structures calculated for stoichiometric NbN and VN using the linearized augmented-plane-wave method are presented and utilized in the interpretation of the experimental spectra. It is shown that most of the features in the spectra can be accounted for by direct bulk-band transitions. A fairly good agreement between experimental and calculated band locations and dispersions is obtained.

International Nuclear Information System (INIS)

We use the Generalized Quasi-Chemical Approach (GQCA) combined with ab initio ultrasoft pseudopotential calculations within density functional theory in order to obtain the structural and electronic properties of Al_xGa_yIn_1_-_x_-_yX (X=As, P or N) quaternary alloys in the zincblende structure. Results for the bond lengths show that their variations with composition are approximately linear and that they do not deviate much from the values of the corresponding binary compounds. For the variation of the band gaps, we obtain a bowing parameter b=0.26 eV for the (Ga_0_._4_7In_0_._5_3As)_z(Al_0_._4_8In_0_._5_2As)_1_-_z quaternary alloy lattice matched to InP, in very good agreement with experimental data. In the case of AlGaInN, a bowing parameter of 0.22 eV is obtained for zincblende AlGaInN lattice matched to GaN. (copyright 2007 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

International Nuclear Information System (INIS)

Iron oxide thin films have been obtained by spray pyrolysis using 100% methanolic and ethanolic solutions of iron tri-chloride. The films were deposited onto ITO-coated glass substrates. The preparative conditions have been optimized to obtain compact, pin-hole-free and smooth thin films which are adherent to the substrate. The structural, morphological and compositional characterizations have been carried out by X-ray diffraction, scanning electron microscopy and energy dispersive X-ray analysis. The films deposited using ethanolic solution results into pure hematite; #alpha#-Fe_2O_3 thin films, however, films deposited using methanolic solution consists of hematite and maghemite-c phases of iron oxide. The films are nanocrystalline with particle size of 30-40 nm. The optical absorbance of the film was of the order of 10"5 cm"-"1. The optical band gap of films was found to be 2.26 and 2.20 eV for the films deposited using ...

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A p[sup +]-Al[sub 0.3]Ga[sub 0.7]As/n[sup +]-GaAs heterojunction tunnel diode was fabricated using Atomic Layer Epitaxy (ALE) growth technique. Background carbon doping of [similar to]10[sup 20] cm[sup [minus]3] was achieved in the p-side of the diode by optimizing growth conditions such as V/III ratio, exposure times to reactant gases, and growth temperature. In the n-side of the diode GaAs was doped with silane and doping concentrations as high as 7[times]10[sup 18] cm[sup [minus]3] were also achieved. The dopants are chosen to satisfy the high levels and low diffusion requirements. The diode can be used to interconnect the high and low band-gap cells in the AlGaAs/GaAs cascade solar cell structure. The reactor used in this investigation is a commercial MOCVD system which has been specially modified for dual operation of ALE and MOCVD growth modes.

British Library Electronic Table of Contents (United Kingdom)

We analyse numerically the acoustic stop band properties of an array of orthotropic coated cylinders whose elastic parameters are deduced from a geometric transform [H. Chen, C.T. Chan, Acoustic cloaking in three dimensions using acoustic metamaterials, Appl. Phys. Lett. 91 (2007) 183518]. We find that whereas a single coated inclusion is acoustically neutral at any frequency, an array of them might display some stop bands. More precisely, an array of freely vibrating coated voids is always neutral, whereas an array of clamped coated inclusions might display a zero frequency stop band. Interestingly, an array of radially symmetric coated inclusions behaves as local Helmholtz resonators, for which the eigenfield within each cloak is obtained in closed form, leading to a frequency estimate a...

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The theoretical performance of ideal single- and multijunction cells are compared at 100xconcentration under a range of cloudless-sky conditions. The sensitivities of device performance to cell temperature and spectral variations are shown to depend on the number of junctions (one, two or three), the way in which the junctions are connected (series, parallel or independent), and the band gaps of the devices. The average performances of all of the multijunction devices surpass that of a single-junction GaAs device, but the inconsistency in performance of some of the multijunction devices is significant for large variations in cell temperature and incident spectrum. The choice of band gap and connection scheme is more important than the number of junctions in determining the consistency of device performance. (orig.).

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A new band gap profile (exponential profile) for the active layer of the a-SiGe:H single junction cell has been designed and experimentally demonstrated. In this paper we compare its optical and electrical characteristics with the two more common profiles: the U- and V-shapes. As predicted by the simulations, the new profile combines the advantages of both profiles. Like the V-shape, the exponential shape reduces the amount of Ge in the i-layer, decreasing both the space charge defect density inside the i-layer and the recombination losses. It also improves the electric field. At the same time, the exponential shape generates the same current density as the U-shape.

Energy Technology Data Exchange (ETDEWEB)

Microcrystalline silicon carbide ({mu}c-SiC) was prepared at low substrate temperatures using Hot Wire chemical vapor deposition (HWCVD). High crystalline volume fractions were achieved at high hydrogen dilution and high deposition pressure. Without intentional doping, such material shows high dark conductivity and high optical absorption below the band gap. The material prepared at low deposition pressure or low hydrogen dilution, on the other hand, shows much lower conductivity and sub-gap absorption, but high spin densities up to 5 x 10{sup 19} cm{sup -3}. This high absorption can be attributed to free carriers, different to {mu}c-Si:H where a correlation between the sub-gap absorption and the spin density is observed.

Science.gov (United States)

Spontaneous emission in photonic crystals with anisotropic three-dimensional dispersion relation is studied. If the upper level is below a characteristic frequency omega(1), or above omega(2), or between omega(1) and omega(2), the radiation is a localized field with a frequency in the band gap, or a propagating field with a frquency in the band, or a diffusion field, respectively. An analytical expression for the Lamb shift is obtained. The Lamb shift for the current case is small compared to that in an ordinary vacuum or in one- or two-dimensional photonic crystals due to lower density of states. PMID:11017227

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We summarize the results of point-contact Andreev-reflection (PCAR) spectroscopy in MgB{sub 2} doped by chemical substitutions, either magnetic (Mn) or non-magnetic (Al,C), obtained by us and by other groups in the last four years. Despite the variety of samples used (crystals and polycrystals of various origin) and some minor differences in the experimental techniques, these measurements have directly provided a complete and consistent picture of the effects of chemical substitutions on the gaps of MgB{sub 2} shedding light on other relevant parameters (scattering rates, DOSs) affected by doping. In Al-doped crystals and polycrystals, the gap amplitudes {delta}{sub {sigma}} and {delta}{sub {pi}} - obtained through a two-band Blonder-Tinkham-Klapwijk (BTK) fit of the Andreev-reflection conductance curves - decrease on increasing the Al content x (i.e. on decreasing the critical temperature of the contacts T{sub c}{sup A}), ...

International Nuclear Information System (INIS)

The credibility of the model proposed by Ghosh in predicting the refractive indices of mixed semiconductor crystals of technological importance within their miscibility range as a function of band gap is demonstrated. The high-frequency refractive indices of four quaternary alloys Al_xGa_1_-_x_-_yIn_yP (y = 0.49, 0 #<=# x #<=# 0.51), InSb_xAs_1_-_x_-_yP_y (y = 2.2x, 0 #<=# x #<=# 0.313, 0 #<=# y #<=# 0.638), Cd_xZn_1_-_x_-_yHg_ySe (x + y = 1, 0.153 #<=# x #<=# 0.684, 0.316 #<=# y #<=# 0.847), and CdS_1_-_x_-_ySe_xTe_y (x + y = 1, 0.15 #<=# x #<=# 0.93, 0.07 #<=# y #<=# 0.85) are calculated according to the relation n"2-1 = A/(E_g + B)"2 where A is an energy gap dependent constant and B is a constant depending on crystal ionicity. The calculated values show excellent agreement with the experimental data thus justifying the validity of the model.

International Nuclear Information System (INIS)

The crystal structure, electronic structure, and photoluminescence properties of EuxSi6-zAlz-xOz+xN8-z-x (x=0-0.1, 0xMySi6-zAlz-x-yOz+x+yN8-z-x-y (M=2Li, Mg, Ca, Sr, Ba) have been studied. Single-phase EuxSi6-zAlz-xOz+xN8-z-x can be obtained in very narrow ranges of x?0.06 (z=0.15) and z2+ ions can be incorporated into nitrogen-rich Si6-zAlzOzN8-z. The Eu2+ ion is found to occupy the 2b site in a hexagonal unit cell (P63/m) and directly connected by six adjacent nitrogen/oxygen atoms ranging 2.4850-2.5089 A. The calculated host band gaps by the relativistic DV-X? method are about 5.55 and 5.45 eV (without Eu2+ 4f5d levels) for x=0 and 0.013 in EuxSi6-zAlz-xOz+xN8-z-x (z=0.15), in which the top of the 5d orbitals overlap with the Si-3s3p and N-2p orbitals within the bottom of the conduction band of the host. EuxSi6-zAlz-xOz+xN8-z-x shows a strong green emission with a broad Eu2+ ...

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The effects of dilute impurity doping on charge-density wave (CDW) structures and gaps in NbSe{sub 3} 1T-TaS{sub 2} and 2H-NbSe{sub 2} have been studied by using a scanning tunneling microscope (STM) operating at 4.2 K. In Fe doped samples of NbSe{sub 3} the STM spectroscopy measurements indicate that the added impurities can significantly shift the CDW energy gaps. In NbSe{sub 3}, Fe reduces both CDW gaps by 25-30%, and produces changes in the conductance structure relative to the pure material. The images of Fe{sub 0.01}NbSe{sub 3} show that all three surface chains in the unit cell still carry a strong CDW modulation with no evident disorder. However, a change in the relative amplitudes of the high and low temperature CDWs is detected. The effects of Co and Ni impurities on the gaps in NbSe{sub 3} have also been studied. While Co increases both by 25-30%, Ni ...

International Nuclear Information System (INIS)

Bone marrow is one of the most radiosensitive organs. Irradiation causes a marked decrease in the total number of hematopoietic cells in the bone marrow. The reticular meshwork structure of marrow stromal cells, however, is relatively resistant to irradiation. Unimpaired stromal cell structure has been thought to be a prerequisite for the repopulation of hematopoietic cells during recovery from the effects of irradiation. The reticular framework is maintained by cell adhesion apparatuses such as gap junctions. The in vitro radiobiologic survival values of a cloned stromal cell line, H-1/A, were studied (n = 1.8, D0 = 138 cGy). Radiation doses of up to 4000 cGy had no detectable effects on the production of colony-stimulating factor 1. H-1/A cells communicate with each other via gap junctions as determined by the sensitive dye-transfer method. Gap-junctional communication between ...

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Spectroscopy based on the Andreev reflection (AR) process at the interface between the normal metal tip and the superconductor has become one of the very successful methods for studies in novel exotic superconductors. The method is capable to address the size, symmetry as well as multiplicity of the superconducting order parameter. The method provided one of the first evidences of the two-gap superconductivity in MgB{sub 2} with a detailed temperature dependence of the both gaps. A theory treating the Andreev reflection spectroscopy in the mixed state is missing. We analyse the AR spectra of MgB{sub 2} in the mixed state via modelling the magnetic pair-breaking by the increasing spectral broadening parameter {gamma}. As a result a non-trivial pair breaking effect in the {pi}-band is found.

UK PubMed Central (United Kingdom)

Electronic and structural properties of antiphase boundaries in group III-V semiconductor compounds have been receiving increased attention due to the potential to integration of optically-active III-V...Full Text Available

International Nuclear Information System (INIS)

The measurements obtained here indicate ways in which micro-Raman spectroscopy can be used to elucidate structural characteristics and distribution of carbon in meteorites and interplanetary dust particles (IDPs). Existing information about structurally significant aspects of Raman measurements of graphite is combined with structurally relevant findings from the present micro-Raman studies of carbons prepared by carbonization of polyvinylidine chloride (PVDC) at various temperatures and natural material, as well as several acid residues from the Allende and Murchison meteorites in order to establish new spectra-structure relationships. Structural features of many of the materials in this study have been measured by x ray analysis and electron microscopy: thus, their structural differences can be directly correlated with differences in the Raman spectra. The ...

British Library Electronic Table of Contents (United Kingdom)

In this paper, it is shown that (In1?xAlx)2S3 thin films can be grown through the co-evaporation of elemental indium, aluminum and sulfur. It is nevertheless observed that the introduction of aluminum within the indium sulfide thin films hinders the crystallites size and even yields almost amorphous films when x is 0.2. The investigations of the optical properties of the films reveal that contrary to what could be expected, the band gap increase is low; the highest values measured do not exceed 2.2eV. However, as suggested by X-ray photoelectron spectroscopy measurements, such widening most probably affects the lower conduction band states.

Energy Technology Data Exchange (ETDEWEB)

The nano-structured Fe(III)-doped TiO{sub 2} photocatalysts with anatase phase have been developed for the oxidation of non-biodegradable different organic dyes like methyl orange (MO), rhodamine B (RB), thymol blue (TB) and bromocresol green (BG) using UV-Hg-lamp. The different compositions of Fe{sub x}Ti{sub 1-x}O{sub 2} (x = 0.005, 0.01, 0.05, and 0.1) nanocatalysts synthesized by chemical method (CM), have been characterized by X-ray diffraction (XRD), UV-vis diffuse reflectance spectra, specific surface area (BET), transmission electronic microscopy (TEM) analysis, XPS, ESR and zeta potential. From XRD analysis, the results indicate that all the compositions of Fe(III) doped in TiO{sub 2} catalysts gives only anatase phase not rutile phase. For complete degradation of all the solutions of the dyes (MO, RB, TB, and BG), the composition with x = 0.005 is more photoactive compared all other compositions of Fe{sub x}Ti{sub 1-x}O{sub 2}, and degussa P25. The ...

International Nuclear Information System (INIS)

The ternary compound CuInS2 is attractive for solar cells due to its band gap of 1.54 eV which borders the optimum value necessary for conversion of a solar spectrum. Recently, works on thin film cells based on this material (ZnO/CuInS2) has been reported to show efficiency as high as 11.4%. In this paper, the orientation and the morphology of CuInS2 sprayed films are determined by the means of X-ray diffraction and scanning electron microscopy. Sprayed CuInS2 films deposited onto a transparent Pyrex substrate with standard fabrication parameters show a chalcopyrite structure with a preferential orientation (1 1 2). A model based on the calculation of the relative dielectric function ? has been performed in order to obtain the profile of variation of this parameter and to understand the optical behavior of this material via its transmittance and reflectance in visible and near-infrared regions (0.35-2.5 ?m). In the same ...

International Nuclear Information System (INIS)

In this work, ?-SnS2 thin films have been prepared on glass substrates by the spray pyrolysis technique using an alcohol solution which contains tin chloride (SnCl4) and thiourea (SC(NH2)2) as precursors. The structural study shows that ?-SnS2 thin film prepared using optimal experimental conditions: substrate temperature Ts = 280 deg. C and the concentration ratio of sulfur and tin elements in the spray solution x = [S]/[Sn] = 2.5, crystallizes in the hexagonal phase with a strong (0 0 1) X-ray diffraction line. In the same way, microprobe analyses (EPMA) as well as X-ray photoelectron spectroscopy (XPS) show the presence of undiserable phase of SnO2. From the transmission and reflectance spectra, the band gap energy is 2.65 eV. On the other hand, the photothermal properties of such films have been studied, the thermal conductivity was Kc = 0.85 W m-1 K-1 and the thermal diffusivity was Dc = 14.5 x 10-6 m2 s-1. The ...

International Nuclear Information System (INIS)

The present communication deals with the synthesis, single crystal growth and characterization of a new nonlinear optical material L-proline strontium chloride monohydrate (L-PSCM). Single crystals have been grown using the slow solvent evaporation technique. Single crystal XRD analysis confirmed that the crystal belongs to the orthorhombic structure with lattice parameter a=6.6966(3) A, b=12.4530(5) A, c=15.2432(5) A and space group P2_12_12_1. Presence of various functional groups in L-PSCM and protonation of the ions were confirmed by Fourier transform infrared spectroscopy (FT-IR) analysis. The melting point of the single crystal was found to be 126 "oC using DSC. Ultraviolet-visible spectral analyses showed that the crystal has low UV cut-off at 226 nm combined with very good transparency of 90% in a wide range. The optical band gap was estimated to be 5.82 eV. Capacitance and dielectric-loss measurements were carried ...

CERN Document Server

We point out that electromagnetic one-way edge modes analogous to quantum Hall edge states, originally predicted by Raghu and Haldane in 2D gyroelectric photonic crystals possessing Dirac point-derived bandgaps, can appear in more general settings. In particular, we show that the TM modes in a gyromagnetic photonic crystal can be formally mapped to electronic wavefunctions in a periodic electromagnetic field, so that the only requirement for the existence of one-way edge modes is that the Chern number for all bands below a gap is non-zero. In a square-lattice gyromagnetic Yttrium-Iron-Garnet photonic crystal operating at microwave frequencies, which lacks Dirac points, time-reversal breaking is strong enough that the effect should be easily observable. For realistic material parameters, the edge modes occupy a 10% band gap. Numerical simulations of a one-way waveguide incorporating this crystal show ...

Energy Technology Data Exchange (ETDEWEB)

The near normal incidence reflectivity of the ferromagnets U/sub 3/P/sub 4/ and U/sub 3/As/sub 4/ and the isostructural but diamagnetic compounds Th/sub 3/P/sub 4/ and Th/sub 3/As/sub 4/ has been measured from 0.03 to 12 eV. Trithorium tetraphosphide and tetraarsenide are shown to be indirect gap semiconductors with gap energies of 0.43 and 0.39 eV, respectively. U/sub 3/P/sub 4/ and U/sub 3/As/sub 4/ display similar sets of p..-->..d transitions than the corresponding thorium compounds, however, they are shifted by 0.85 eV to lower photon energies. It is concluded that the uranium compounds are metals due to a merging of the valence p band into the 6d conduction band giving direct experimental evidence for a p-f mixing effect of the same size. Energy level schemes are derived.

Science.gov (United States)

The visible absorption spectra of 1,4-(dihydroxy)-9,10-anthraquinone and of Co(II), Ni(II), Cu(II) and Zn(II) chelates have been studied in different organic solvents. This system provides a model for the anthracycline antibiotics and their metal chelates. The band structure of the spectrum has been determined using the second and fourth derivatives of the spectrum. The visible absorption band of the parent molecule can be assigned to a single electronic state with a reduced dipole moment in the excited state; structure in this band is ascribed to two overlapping vibrational progressions. In contrast, the dianion (hydroxy protons removed) shows a single electronic state with an increased dipole moment in the excited state; structure in this band can be assigned to a single vibrational progression. All of the metal chelates show spectra which ...

Energy Technology Data Exchange (ETDEWEB)

The influence of small amounts of alloying elements (0.36% Cu and 0.47% Cr) on the semiconducting properties of passive films formed on weathering steels was investigated either in tetraborate/boric acid buffer solution (pH 9.2) or artificial atmospheric environment (SO{sub 2}-containing environment). The electrochemical behaviour was assessed by potentiodynamic polarisation, capacitance measurements and photoelectrochemistry. The chemical characterisation of the films was carried by Auger electron spectroscopy. The polarization results obtained in the buffer solution show that the addition of chromium decreases the passive current density. The capacitance results show that the films behave as an n-type semiconductor with shallow and deep donor levels situated in the forbidden gap. The presence of copper seems to affect the density of the shallow and of the deep donor levels in the forbidden gap, and as chromium, it also decreases the doping ...

British Library Electronic Table of Contents (United Kingdom)

A mechanical model with local resonators is proposed as an acoustic metamaterial that exhibits an unusual frequency-dependent effective stiffness. If treated as an equivalent elastic solid, its effective Young's modulus can become unbounded or vanishingly small at two respective frequencies. Moreover, in a certain frequency range, the effective Young's modulus would become negative, resulting in a band gap that coincides with this frequency range. The wave attenuation behavior and mechanism are studied through numerical simulations on the acoustic metamaterial model. The capability of the metamaterial to selectively block or filter unwanted waves is demonstrated by a numerical simulation example.

Energy Technology Data Exchange (ETDEWEB)

The purified integral membrane protein, band 3, from human erythrocytes was inserted into egg lecithin liposomes. The insertion of band 3 was determined from thermal transition data from the analysis of the C-H stretching region bands recorded at temperatures from 25 to -22[sup o]C. Raman spectra show that band 3 considerably broadens and lowers the thermal transition of egg lecithin liposomes, suggesting the insertion of band 3. The band 3-inserted liposomes were irradiated with gamma-rays (40 Gy) and the radiation target groups were determined by the analysis of the structural sensitive Raman bands in the 1600-1700 cm[sup -1] (amide I), 1200-1300 cm[sup -1] (amide III) and 550-1030 cm[sup -1] (side chain amino groups) regions. The radiation-sensitive groups as identified from Raman spectra in the region 550-1030 cm[sup ...

Energy Technology Data Exchange (ETDEWEB)

The electronic structures of platinum group elements (Ru, Os, Rh, Ir, Pd, and Pt) silicides have been calculated. Ir{sub 3}Si{sub 5} is a semiconductor with the direct gap of 1.14 eV. Among monosilicides, RuSi and OsSi with the FeSi-type structure are semiconductors with the gap values of 0.21 and 0.41 eV but RhSi, IrSi, PdSi, and PtSi with the MnP-type structure are metals. No semiconducting compounds can be found in other platinum group elements silicides other than known Ru{sub 2}Si{sub 3}, Os{sub 2}Si{sub 3}, and OsSi{sub 2}.

International Nuclear Information System (INIS)

The newly discovered oxypnictide family of superconductors show very high critical temperatures of up to 55 K. Whilst there is growing evidence that suggests a nodal order parameter, point contact Andreev reflection spectroscopy can provide crucial information such as the gap value and possibly the number of energy gaps involved. For the oxygen deficient NdFeAsO_0_._8_5 with a T_c of 45.5 K, we show that there is clearly a gap value at 4.2 K that is of the order of 7 meV, consistent with previous studies on oxypnictides with lower T_c. In addition, taking the spectra as a function of gold tip contact pressure reveals important changes in the spectra which may be indicative of more complex physics underlying this structure. (rapid communication)

British Library Electronic Table of Contents (United Kingdom)

In many industrialised societies, women remain underrepresented in the sciences, which can be predicted by the gender gap in math achievement at school. Using PISA 2006 data, we explore the role of family background and single-sex schooling in girls' disadvantage in maths in South Korea and Hong Kong. This disadvantage is found to be associated with single-sex schooling, but not with family background. Attending a girls' school confers a benefit only in South Korea, whereas the gendered curriculum counteracts the selectivity advantage of girls' schools in Hong Kong. We find that a gendered social structure prevalent in both societies.

British Library Electronic Table of Contents (United Kingdom)

We have measured the frequency-dependent dielectric function of semi-crystalline polybutylene terephthalate (PBT) in the terahertz region between 100?GHz and approximately 2.8?THz. A characteristic band is observed around 2.38?THz. The intensity of this band is a good indicator of the degree of crystallinity of the different samples. A potential assignment of this band is proposed, based on the comparison with spectroscopic data of the structurally very similar polyethylene terephtalate (PET). Furthermore, the frequency-dependent index of refraction of PBT reveals more insight about the morphology and different thermal history of the samples under investigation.

International Nuclear Information System (INIS)

The method of augmented plane wave (APW) is used to obtain the band structure of the SmS compound in the semiconductor and metal phases. The noncentral part of the Coulomb electron-electron interaction is taken into account in the first order perturbation theory. In this case the radial part of the wave APW-function is taken as a zero approximation function. A multiplet structure of the excited configuration f"5d, which provides a good description of the X-ray photoelectron spectrum and optical spectrum epsilon_2(#omega#), is obtained. The configuration fd is calculated for the interpretation of the optical absorption spectrum of the samarium monosulfide metal phase. (author).

International Nuclear Information System (INIS)

Nonrelativistic band calculations of Mattheiss for Nb and Petroff and Viswanathan for Mo are used to calculate the imaginary part epsilon_2 of the dielectric function for these metals. The structure resulting from interband transitions in the frequency range 0.1--0.5 Ry is found to give fairly good agreement with experiment. The calculation indicates that structure in epsilon_2 can arise from transitions away from symmetry points and lines in the Brillouin zone. The difficulty in distinguishing between the direct and indirect transition models for epsilon_2 is shown to arise from a lack of strong optical critical points. Predictions of the rigid-band model for the optical properties of Nb-Mo alloys are presented.

International Nuclear Information System (INIS)

The band offsets and subband levels in a double quantum well layer for a 660 nm-Ga_0_._4In_0_._6P/(Al_0_._5Ga_0_._5)_0_._5In_0_._5P quantum well laser are determined by photoreflectance using a 410 nm InGaN laser with current modulation at room temperature. The subband levels are analyzed by numerical calculation of the Schroedinger equation for the layer structure by varying the conduction band offset and compared with the measured photoreflectance spectra. The conduction band offset ratio is determined to be 0.5+0.03. (copyright 2009 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Energy Technology Data Exchange (ETDEWEB)

Using Gammasphere data on prompt gamma rays from spontaneous fission of 252Cf, we propose energy-level schemes for 110,111,112, & 113Rh (Z=45). The fission-gamma data complement earlier studies of others on beta decay of fission products in that prompt fission gammas mainly populate yrast or near-yrast levels, while beta decay populates lower-spin levels. For the odd-A rhodium nuclei studied here, their ground bands and collective sidebands are compared with model calculations using triaxial-shaped nucleus with one odd quasi-proton. The energies and E2 transition rates are best fit by a shape slightly to the prolate side of maximum triaxiality, namely, gamma = 28 deg. The model calculations also show a K=1/2+ band with energies not in good agreement with a corresponding experimental band. The experimental 1/2+ band is regarded as an intruder band from a prolate-driving proton ...

Energy Technology Data Exchange (ETDEWEB)

Relativistic mean field (RMF) theory is applied to modern problems of nuclear structure, such as the description of rotating bands in super-deformed nuclei or the investigation of neutron halos in light exotic nuclei. (orig.)

International Nuclear Information System (INIS)

High-spin states in "1"7"7Ta were produced using the "1"7"0Er("1"1B, 4n) reaction at 55 and 60 MeV. Considerable extensions have been made to the previously known level scheme, and new structures have been found. B(M1)/B(E2) ratios have been extracted for strongly coupled bands. The behavior of the different rotational cascades, in particular the anomalous crossing frequency observed in the [541]1/2"- proton h_9_/_2 band and the occurrence of ''identical bands,'' is discussed. Comparisons are made with projected shell model calculations.

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.

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...

British Library Electronic Table of Contents (United Kingdom)

This paper presents studies carried out on tin-doped indium sulfide films prepared using Chemical Spray Pyrolysis (CSP) technique. Effect of both in-situ and ex-situ doping were analyzed. Ex-situ doping was done by thermal diffusion, which was realized by annealing Sn/In2S3 bilayer films. In-situ doping was accomplished by introducing Sn into the spray solution by using SnCl45H2O. Interestingly, it was noted that by ex-situ doping, conductivity of the sample enhanced considerably without affecting any of the physical properties such as crystallinity or band gap. Analysis also showed that higher percentage of doping resulted in samples with low crystallinity and negative photosensitivity. In-situ doping resulted in amorphous films. In contrast to ex-situ doping, `in- situ doping' resulted i...

Energy Technology Data Exchange (ETDEWEB)

By using a two-step homogenization approach, we derive analytical formulas of effective mass density {rho}{sub e} and effective bulk modulus B{sub e} for two- and three-dimensional acoustic metamaterials of Helmholtz resonators (HRs) in fluid. A negative B{sub e} is found at certain frequencies due to the monopolar resonance, leading to a low-frequency acoustic band gap. A unified picture is presented for metamaterials of HRs and three-component metamaterials of negative {rho}{sub e}. Our work supports recent observations in a one-dimensional array of HRs [N. Fang et al., Nat. Mater. 5, 452 (2006)] and presents important high-dimensional extensions for exploring more fascinating phenomena.

Energy Technology Data Exchange (ETDEWEB)

The authors have studied (Al{sub x}Ga{sub 1{minus}x}){sub 0.5}In{sub 0.5}P doped with tellurium using deep level transient spectroscopy and associated electrical measurements. Several defect states are observed in the upper half of the band gap, that are believed to be intrinsic to the alloy system as well as related to the tellurium donors. Defects observed at measurement temperatures above 390 K exhibit a hysteretic behavior. The observed spectra depend on the biasing conditions applied to the Schottky diode during cooling. The hysteretic behavior suggests the existence of different defect configurations, which can be accessed under conditions of high temperatures and electrical stress, but remain stable below 300 K.

International Nuclear Information System (INIS)

The structural and electronic properties of the A-15 compounds Nb_3Rh and Nb_3Ir were studied by means of escalar relativistic full-potential linearized augmented-plane wave (FP-LAPW) calculations with generalized gradient corrections. An investigation of the band structure of the hypothetical Nb_3Nb compound was also performed at the theoretical equilibrium lattice constant to ascertain the contribution of the nontransition elements on the B site in these A_3B-type compounds. Band structures and total densities of states were obtained. A rough estimate of the electron-phonon coupling parameter #lambda# as well as of the electronic specific-heat coefficient #gamma# were obtained for both Nb_3Rh and Nb_3Nb, which confirms that this latter is a low-temperature superconductor with T_c - 10K.

International Nuclear Information System (INIS)

The first-order relativistic correction to the kinetic energy of an electron, the mass-velocity term, is not bounded from below. It can, therefore, not be used within a variational framework. To overcome this deficiency we developed a method to include the entire relativistic kinetic energy #sq root#(p"2c"2+m_0"2c"4)-m_0c"2 in a spline-augmented plane-wave band calculation. The first results for silver are quite promising, especially for d and p states: The analysis of the energies of the core states as well as of the valence band structure suggests that the energies of d bands are reproduced within 1 mRy. However, the combination of the relativistic kinetic energy with the Darwin term leads to energies which are too low for s-like valence states by 10 mRy. Therefore, the s and d valence band complex is spread out and the Fermi level is lowered by the same amount as the s states. We ...

Energy Technology Data Exchange (ETDEWEB)

The average angle of repose and the packing density of random planar heaps of hard disks falling ballistically onto a sticky base line, where the first layer of disks is quenched in random positions, are computed for heaps with a small fixed number of gaps in the base layer. The results we find appear to be almost independent of the size of the heap and they agree with those obtained from computer simulations of large systems.

UK PubMed Central (United Kingdom)

The structure of unintegrated human immunodeficiency virus type 1 (HIV-1) DNA from acutely infected human lymphoid cells was analyzed by nuclease S1 cleavage. We observed a unique, discrete single-stranded...Full Text Available

International Nuclear Information System (INIS)

We propose a method of plasma production by capacity-coupled multidischarge (CCMD) at atmospheric pressure. The discharge gaps in the CCMD consist of a common electrode and a number of compact electrodes (CCE) which are directly coupled with small capacitors for quenching the discharge. A simple CCE structure is provided by a cylindrical capacitor, the inner conductor of which is used as a gap electrode. A short pulse discharge is observed to appear homogeneously at each CCE. A charge transfer for the single-pulsed discharge is 10-100 times as large as that of the conventional dielectric barrier discharge. A high efficiency of ozone production has been confirmed in the CCMD using O_2 gas. A device configuration of the CCMD is quite flexible with respect to its geometrical shape and size. The CCMD could be used to produce plasmas for various kinds of industrial applications at atmospheric pressure.

International Nuclear Information System (INIS)

Excited states in the T_z=(1/2) nucleus "8"5Mo have been observed for the first time with the reaction "5"8Ni("3"2S,#alpha#n#gamma#) at 105 MeV. #gamma#-ray transitions in this nucleus have been assigned unambiguously by combining the information from the GASP #gamma#-ray array, the ISIS silicon ball, and the n-Ring neutron detector. Two band structures have been observed in this nucleus; they continue the smooth evolution of the known bands from the lighter N=43 isotones and have been tentatively assigned spins and parity on this basis. After reaching a maximum of collectivity at "8"3Zr, the trend with increasing mass is reversed, showing a smaller collectivity at "8"5Mo. The rotational behavior of the observed bands is discussed on the basis of the projected shell model calculations.

International Nuclear Information System (INIS)

The #pi#g_9_/_2 band structure in "1"2"1Cs is obtained. The experiment was performed at the HI-13 MV tandem accelerator of China Institute of Atomic Energy. The excited states of "1"2"1Cs were populated via the reaction "1"1"2Sn("1"2C, p2n). The #gamma#-#gamma# coincidence data were taken with five BGO-AC HpGe detectors at beam energy of 60 Mev. The energy-level schemes of "1"2"1Cs is presented.

International Nuclear Information System (INIS)

Using an ab initio pseudopotential method within a generalized gradient approximation of the density functional theory, the structural, electronic, and phonon properties of SrS in the B1 (NaCl) and B2 (CsCl) structures have been studied. The calculated lattice constants, static bulk modulus, and first-order pressure derivative of the bulk modulus are reported for both the B1 and B2 structures and compared with previous experimental and theoretical calculations. Electronic band structures and densities of states have been derived for SrS. Subsequently, a linear-response approach to the density functional theory is used to derive the phonon frequencies and densities of states.

Energy Technology Data Exchange (ETDEWEB)

The large aggregating proteoglycan aggrecan is a major structural component of the extracellular matrix of articular cartilage. Recent cDNA cloning of the human aggrecan gene (AGC1) reveals a core protein of at least 2316 amino acids characterized by several distinct structural domains. Two globular domains, termed G1 and G2, are present at the amino terminus of the molecule and a third, termed G3, is present at the carboxy terminus. The G1 domain is homologous in structure to the cartilage link protein and accounts for the aggregating potential of aggrecan through its ability to interact with hyaluronic acid. The aggrecan gene is known to consist of 15 exons, with each exon encoding a distinct functional region of the mature protein. However, while the link protein gene is known to reside on chromosome 5 in the human, the location of the aggrecan gene is currently undetermined in any species. The probe (pAGG2) for the ...

International Nuclear Information System (INIS)

Calculations of the Compton profiles for the transition metals Ta and W are performed, using electron wave functions obtained from self-consistent augmented plane wave (APW) band structure calculations within the local density formalism of Hedin-Lundqvist. Relativistic effects are included except for the spin-orbit interaction. The observed structures of the Compton profiles in these metals are understood in terms of the topology of their Fermi surfaces. (author).

International Nuclear Information System (INIS)

The electronic band structure, transport properties, and lattice dynamics in AuX_2 (X = Al, Ga and In) under high pressure have been extensively studied with full potential linearized augmented plane wave and pseudopotential plane wave methods. The theoretical results for the electronic band structure and Fermi surface reveal pressure-induced electronic topological transitions (ETTs) in AuGa_2 and AuIn_2, while they are absent in AuAl_2, in excellent agreement with the experimental observations. Moreover, calculations of the transport properties at different pressures reveal subtle changes in the band structure close to the Fermi surface of the three intermetallic compounds. It is clear that the anomalies in transport properties are due to ETTs. Interestingly, a pressure-induced soft transverse acoustic (TA) phonon mode is identified only in AuGa_2. The TA ...

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 ...

International Nuclear Information System (INIS)

We report on the possibility to prepare ZnSe porous layers with different degrees of porosity by means of electrochemical methods. The prepared porous structures were characterized using scanning electron microscopy (SEM), photoluminescence (PL) and cathodoluminescence (CL) techniques. The PL of the as-grown material and porous layers measured at low temperatures (10 K) was found to be dominated by an emission band at 2.796 eV as well as a band at 2.700 eV with several phonon replicas. The analysis of the dependence of these bands upon the excitation power density and temperature suggests that free-to-bound and respectively donor-acceptor electron transitions are responsible for the emission bands involved. The comparison of SEM and CL images taken from the same porous regions demonstrated that cathodoluminescence intensity from layers with small characteristic sizes of the porous ...

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)

Isotropic Compton profiles of TaC and TaN have been measured for the first time, at an intermediate resolution, using 662 keV #gamma#-radiation. Energy bands, density of states and Fermi surface topology of TaC and TaN have been computed using linear combination of atomic orbitals with density functional theory and full potential linearised augmented plane wave method. Both band structure calculations predict the metallic character of TaC and TaN. The electron momentum densities calculated using various approaches of density functional theory are compared with the present measurements. On the basis of Mulliken's population, it is also seen that TaC has more covalent bonding than TaN. The optical properties computed using full potential linearised augmented plane wave method are explained in terms of intraband transitions.

British Library Electronic Table of Contents (United Kingdom)

Nano- and microstructured surfaces are known to impact on the binding and differentiation of cells, but the detailed basic understanding of the underlying regulatory mechanisms is still scarce, which impedes the rational design of smart biomaterials. Towards a comprehensive analysis of the interplay between topographical parameters such as feature design and lateral and vertical dimensions we here report on a combinatorial screening approach, BioSurface Structure Array (BSSA) of test squares each with a distinct topography. Using such BSSA libraries of 504 topographically distinct surface structures, we have identified combinations of size, gap and height of structures which enhance mineralization as well as the expression of osteogenic markers of a preosteoblastic murine cell line. This g...

International Nuclear Information System (INIS)

The electronic structures of the set of molecular clusters of dielectric oxide crystals AWO4 (A = Pb, Cd, Zn), the sizes of which increase sequentially are ab-initio calculated by the Restricted Hartree-Fock (RHF) method. The results of calculations of molecular orbitals and energy dependences of partial densities of electronic states of different clusters are compared each to other and to experimental data. It is found that calculated electronic structures of the tungstate groups and cations which are surrounded in cluster by certain number of the nearest neighbor atoms of the crystals quite well represent the experimentally obtained value of the forbidden gap of corresponding AWO4 crystal. (authors)

International Nuclear Information System (INIS)

The detailed electronic energy band structure of hexagonal close-packed #alpha#-zirconium, corresponding to the atomic configuration of 4d"25s"2 of its four outermost valence electrons, has been computed by the composite-wave variational version of the augmented-plane-wave(APW) method in conjunction with the X#alpha#(#alpha# = 0.70424) exchange approximation for obtaining the potentials. From these data the electronic density of states and its angular-momentum-decomposed components have been obtained by the Raubenheimer-Gilat method. These quantities are required in order to calculate the electron-phonon interaction parameter (lambda) and the superconducting transition temperature (Tsub(c)) within the framework of the theories of Gaspari and Gyorffy and McMillan. A study of the variation of Tsub(c) with the Coulomb pseudopotential (#mu#*) revealed that #mu#* = 0.1 yields the best agreement between theory and experiment for #alpha#-Zr. Also ...

Energy Technology Data Exchange (ETDEWEB)

Electronic properties of passive films formed on Fe at various applied potentials in pH 8.5 buffer solution were examined through the photocurrent measurement and impedance spectroscopy. Passive film formed on Fe at relatively low potentials was found to be r-FeOOH layer and internal r-Fe{sub 2}O{sub 3} layer. However, the r-FeOOH layer became unstable and disappeared at potentials below 400mV and hence may be an adsorbed layer. An electronic band structure model for the passive film of Fe was suggested on the basis of the spinel band model with involving two types of electronic excitation processes, i. e., the p-d and the d-d transition together. The effects of applied potential on the photocurrent behaviors of the passive film on Fe were explained appropriately by separating the photocurrent spectra depending on the transition type. The Mott-Schottky behavior for the passive film on Fe and the photocurrent variation with ...

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).

Energy Technology Data Exchange (ETDEWEB)

Perylene bisimides (PBIs) represent an important class of organic n-type semiconductors exhibiting a relatively high electron affinity among large-band-gap materials. Herein synthesis and characterization of several unsymmetrical N-substituted PBI dyes is presented and the thermotropic behavior, which is strongly affected by the respective N-substituents was investigated. Two different series of highly soluble and fluorescent derivatives have been synthesized: (1) PBIs bearing swallow-tailed alkyl chains, different in size or (2) one swallow-tailed alkyl chain and one branched oligoethylenglycolether. Synthesis of these PBIs is generally feasible by two distinct divergent synthesis approaches. Thermotropic behavior was studied by DSC, POM and XRD measurements. Inherent {pi}-{pi} interactions between cofacially orientated perylene molecules and the elliptic shape of the molecule favor the ordering in columns and self-organized architectures. Among them hexagonal ...

CERN Document Server

Cadmium telluride (CdTe) and cadmium zinc telluride (CdZnTe) have been regarded as promising semiconductor materials for hard X-ray and Gamma-ray detection. The high atomic number of the materials (Z_{Cd} =48, Z_{Te} =52) gives a high quantum efficiency in comparison with Si. The large band-gap energy (Eg ~ 1.5 eV) allows us to operate the detector at room temperature. However, a considerable amount of charge loss in these detectors produces a reduced energy resolution. This problem arises due to the low mobility and short lifetime of holes. Recently, significant improvements have been achieved to improve the spectral properties based on the advances in the production of crystals and in the design of electrodes. In this overview talk, we summarize (1) advantages and disadvantages of CdTe and CdZnTe semiconductor detectors and (2) technique for improving energy resolution and photopeak efficiencies. Applications of these imaging detectors in future hard X-ray and ...

International Nuclear Information System (INIS)

The effect of electron and ion beam irradiation on the Sisub(LVV) Auger spectra of SiO_2, Si_3N_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_3N_4, but SiO_2 appeared to be extremely sensitive for electron and ion beam irradiation. By low energy electron loss spectroscopy of ion bombarded SiO_2 and Si_3N_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. (author).

Energy Technology Data Exchange (ETDEWEB)

The structural and electronic properties of the A-15 compounds Nb{sub 3}Rh and Nb{sub 3}Ir were studied by means of escalar relativistic full-potential linearized augmented-plane wave (FP-LAPW) calculations with generalized gradient corrections. An investigation of the band structure of the hypothetical Nb{sub 3}Nb compound was also performed at the theoretical equilibrium lattice constant to ascertain the contribution of the nontransition elements on the B site in these A{sub 3}B-type compounds. Band structures and total densities of states were obtained. A rough estimate of the electron-phonon coupling parameter {lambda} as well as of the electronic specific-heat coefficient {gamma} were obtained for both Nb{sub 3}Rh and Nb{sub 3}Nb, which confirms that this latter is a low-temperature superconductor with T{sub c} - 10K.

Energy Technology Data Exchange (ETDEWEB)

The level structure of the doubly-odd /sup 242/Am nucleus was investigated by means of thermal-neutron-capture gamma-ray and conversion electron spectroscopy. Pair, curved-crystal, and ..beta.. spectrometers were used. The data from these measurements, combined with previous direct reaction results, permit us to establish a detailed level scheme including six new well-developed bands. Our experimental results are interpreted in the framework of the Nilsson model. Precise Gallagher-Moszkowski splittings and Newby odd-even shifts extracted from the data are compared with theoretical calculations.

International Nuclear Information System (INIS)

We have studied the ion-beam synthesis of GaSb nanocrystals in Si by high-fluence '' hot '' implantation of Sb and Ga ions followed by thermal annealing. The Rutherford backscattering, transmission electron microscopy/transmission electron diffraction, Raman spectroscopy and photoluminescence were used to characterize the implanted layers. It was found that the nanocrystal size increases from 5 to 60 nm in the samples annealed at 900"oC up to 20-90 nm in those annealed at 1100"oC. For the samples annealed at 900"oC a broad band in the region of 0.75-1.05 eV is registered in the photoluminescence spectra. The nature of this photoluminescence band is discussed. (author)

Energy Technology Data Exchange (ETDEWEB)

Low power rf measurements, S11, of electro-discharge machined (EDM) diffusion bonded mm-wave traveling wave rf cavities were not in satisfactory agreement with electromagnetic simulations. During subsequent mechanical inspection, the cell-to-cell iris were found to be distorted. This led to a series of systematic experiments to study the mechanical properties of oxygen free high conductivity Copper (OFHC) and Glidcop AL-15. Results of these studies which include cell-to-cell iris distortion, EDM machining accuracies, surface quality, and the results of different bonding techniques are presented. The results of our mechanical studies are used to develop a set of mechanical design constraints for a second series of constant impedance W-Band structures that also used wire EDM and high temperature bonding for their manufacture.

British Library Electronic Table of Contents (United Kingdom)

We investigate quantum mechanical electron transport along the long axis of the DNA molecule using an effective tight-binding model. The overall contour plot of transmission, the current-voltage characteristics, and the differential conductance are examined for the variation of backbone onsite energy, the energy-dependent hopping strength, and the contact coupling between the leads and the DNA molecule. It is shown that as backbone asymmetry increases, the merging and collapse of the two mini-bands take place and an extra resonance peak in the transmission appears. In addition, we present the modulation of voltage threshold in the current-voltage curves and a double-peak structure in the differential conductance due to the disappearance of the merged mini-band. Finally, in the Coulomb bloc...

Energy Technology Data Exchange (ETDEWEB)

We develop a continuum description for the axial segregation of granular materials in a long rotating drum based on the dynamics of the thin near-surface granular flow coupled to bulk flow. The equations of motion are reduced to the one-dimensional system for two local variables only, the concentration difference and the dynamic angle of repose, or the average slope of the free surface. The parameters of the system are established from comparison with experimental data. The resulting system describes both initial transient traveling wave dynamics and the formation of quasi-stationary bands of segregated materials. A long-term evolution proceeds through slow logarithmic coarsening of the band structure which is analogous to the spinoidal decomposition described by the Cahn-Hilliard equation. {copyright} {ital 1999} {ital The American Physical Society}

British Library Electronic Table of Contents (United Kingdom)

Teleost gut associated lymphoid tissue (GALT) consists of leucocyte populations located both intraepithelially and in the lamina propria with no structural organization. The present study aims to assess different protocols for the isolation of GALT cells from an important fish species in the Mediterranean aquaculture, the gilthead seabream. Mechanical, chemical and enzymatic treatments were assayed. Nylon wool columns and continuous density gradients were used for further separation of cell subpopulations. Light microscopy and flow cytometry showed that the highest density band (HD) consisted of a homogeneous lymphocytic population, whereas the intermediate density band (ID) corresponded to epithelial and secretory cells and some lymphocytes. Respiratory burst activity of total cell suspen...

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.

International Nuclear Information System (INIS)

The energy bands and the nature of the conduction electrons have been studied for two intermetallic compounds of dysprosium, i.e, DyZn and DyRh, following the self-consistent augmented-plane-wave (APW) method. The convergence of energy was found to be rapid for DyZn because the shell of 3d"1"0 electrons for Zn lies below the conduction band. The Fermi energies (E/sub F/) have been calculated to be 0.421 and 0.477 Ry for DyZn and DyRh, respectively. The densities and the numbers of conduction electrons inside and outside the APW spheres in each of these compounds are calculated, and it is shown that the character of conduction electrons inside the APW sphere of Dy is predominantly of d type. In order to see the accuracy of these results, self-consistent calculations were done for DyZn for different choices of the exchange potentials, and the calculated number of conduction electrons did not change significantly. The consequence of the ...

Energy Technology Data Exchange (ETDEWEB)

The CaWO{sub 4}:Ln{sup 3+} SiO{sub 2} (Ln=Tb, Dy and Ho) nanoparticles were synthesized via a combustion process at 800 {sup o}C, using citric acid as chelating agent and fuel, ammonium nitrate as fuel, boric acid as flux material and silica as supports. The persistent phosphor nanoparticles were characterized by X-ray diffraction (XRD), reflectance UV-vis and fluorescence spectroscopy (PL) and transmission electron microscopy (TEM) techniques. XRD patterns indicated that crystalline calcium tungstate with scheelite structure was produced. The reflectance UV-vis spectra showed the broad absorption band of WO{sub 4}{sup 2-} groups and the PL spectra showed the WO{sub 4}{sup 2-} wide excitation band, broad emission band of WO{sub 4}{sup 2-} and characteristic emissions of Ln{sup 3+} ions. The average particle sizes were determined by TEM, which are about 50 nm.

International Nuclear Information System (INIS)

The high-spin structure of the Z=77 nucleus "1"8"7Ir has been studied using the fusion-evaporation reaction "1"8"6W("7Li6n) at a beam energy of 59 MeV. The excitation scheme of this nucleus has been extended by more than 110 new states, including extensions of all previously established rotational bands. The band crossing region of the h_9_/_2 negative-parity yrast band has been revised and new intrinsic high-K states have been identified. In particular, a 29/2"- isomeric state [T_1_/_2=1.8(5)#mu#s] at an excitation energy of 2487 keV has been observed for the first time, and on top of it, a rich level scheme reaching up to spin (59/2"-) and excitation energies around 7 MeV has been established.

Energy Technology Data Exchange (ETDEWEB)

The deformation behavior and structure changes of magnesium alloy AZ31 were studied in compression at temperatures ranging from 523 K to 673 K and at a strain rate of 3 x 10{sup -3} s{sup -1}. They depend sensitively on deformation temperature. At high temperatures, grain fragmentation takes place due to frequent formation of kink bands initially at corrugated grain boundaries and then in grain interiors, followed by full development of new grains in high strain. At lower temperatures, in contrast, twinning takes place in rather coarse grains and kink bands are formed mainly in finer original ones in low strain. It is concluded that new grain evolution can be controlled by a deformation-induced continuous reaction resulting in grain fragmentation by kink bands, i.e. continuous dynamic recrystallization (cDRX). The latter is discussed comparing with conventional, i.e. discontinuous, DRX. (orig.)

International Nuclear Information System (INIS)

We report the results of a linearized augmented-plane-wave calculation of the electronic structure of fcc La at three lattice constants corresponding to ambient pressure, 50, and 120 kbars. The Kohn-Sham-Gaspar approximation for exchange and correlation is used and the potential is allowed a fully non-muffin-tin form. The f bands lie approx.2--2.5 eV above the Fermi level and are approx.1 eV wide, resulting in a very small (0.05 electrons) localized f occupation. Under pressure the f bands rise and broaden appreciably, resulting in only a slight increase in f occupation. The rigid-muffin-tin approximation for the electron-phonon interaction lambda overestimates the superconducting transition temperature T/sub c/ by 40%, but we find that the drastic increase in T/sub c/ under pressure can be attributed primarily to changes in the electronic stiffness eta. Structural transitions which occur at 25 and 53 ...

International Nuclear Information System (INIS)

We have performed self-consistent (SC) band structure calculations for the A15 compounds V_3X and Nb_3X, X = Al, Ga, Si, Ge, and Sn, using the augmented-plane-wave (APW) method. Relativistic effects (except the spin-orbit interaction) have been included in each SC cycle, along with corrections to the usual muffin-tin approximation. The latter apply the APW wave functions outside of the muffin-tin spheres to compute the interstitial charge densities and potentials. The resulting interstitial potential has full cubic symmetry (no spherical averaging), although a spherically averaged muffin-tin form is retained inside the spheres. The final SC potentials were used to generate energies and wave functions on a cubic mesh of 35 k points in 1/48th of the Brillouin zone. These results were interpolated onto a finer mesh of 969 k points using a symmetrized Fourier method; the densities of states (DOS), N (E), were determined using tetrahedral ...

CERN Document Server

We present structure calculations of neutral and singly ionized Mg clusters of up to 30 atoms, as well as Na clusters of up to 10 atoms. The calculations have been performed using density functional theory (DFT) within the local (spin-)density approximation, ion cores are described by pseudopotentials. We have utilized a new algorithm for solving the Kohn-Sham equations that is formulated entirely in coordinate space and, thus, permits straightforward control of the spatial resolution. Our numerical method is particularly suitable for modern parallel computer architectures; we have thus been able to combine an unrestricted simulated annealing procedure with electronic structure calculations of high spatial resolution, corresponding to a plane-wave cutoff of 954eV for Mg. We report the geometric structures of the resulting ground-state configurations and a few low-lying isomers. The energetics and HOMO-LUMO ...

British Library Electronic Table of Contents (United Kingdom)

Orthogonal frequency division multiplexing (OFDM) can fully use the frequency band and transmit data at high speeds. The ADSP-TS101 is a high performance digital signal processor (DSP) with good properties that include parallel processing and a high speed. Aimed at the real-time processing requirement of the OFDM algorithm, an underwater acoustic communication system with real-time processing capability is carried out. The system is mainly composed of multiple ADSP-TS101s, a multi-channel synchronous sample module and a field programmable gate array (FPGA) chip. The multiprocessor structure is made up of a cluster/data flow associated multiprocessing parallel processing structure as the operation kernel, and a multi-channel synchronous sample module is designed to realize no phase warp amo...

British Library Electronic Table of Contents (United Kingdom)

We report the first band structure calculations of the quasi-one-dimensional [MnTPP][TCNE] compounds (TPP?=?meso-tetraphenylporphyrinato, TCNE?=?tetracyanoethylene), based on Density Functional Theory (DFT) methods, in order to interpret the magnetic ordering in these prototypic systems. We compare and contrast the results of broken-symmetry DFT calculations for extended systems, with periodic boundary conditions, and for finite systems, magnetic dimers modeling the actual molecular magnets. By varying systematically the main angles, we are able to determine the geometry dependence of the exchange interaction. Structure?properties correlations in these charge-transfer salts reveal the determinant role of the Mn-(N?C)TCNE bond angle on the strength of the ferrimagnetic coupling between the ...

Energy Technology Data Exchange (ETDEWEB)

Plasma arc welding processes are used in off-shore industry for construction and maintenance in the wet surrounding of underwater structures and pipelines. In greater water depth the density of the plasma gas increase because of the greater hydrostatic pressure. This causes the increase of conductive heat losses to the wet surrounding. To keep up the energy flux to the workpiece to be welded, the plasma arc has to burn in a local dry area with an inside pressure of 1 bar. This requirement can be fulfilled by a rotating cylinder with a liquid film flowing down the inner wall. The flow around the rotating cylinder to create a local dry area around the plasma arc under water is experimentally investigated. The rotating cylinder is placed above the work surface which is simulated by a flat plate. According to the centrifugal forces of the rotating flow inside the gap between the lower end of the cylinder and the flat plate the water is forced out ...

International Nuclear Information System (INIS)

The core bypass flow in a prismatic very high temperature reactor (VHTR) is an important design consideration and can have considerable impact on the condition of reactor core internals including fuels. The interstitial gaps are an inherent presence in the reactor core because of tolerances in manufacturing the blocks and the inexact nature of their installation. Furthermore, the geometry of the graphite blocks changes over the lifetime of the reactor because of thermal expansion and irradiation damage. The occurrence of hot spots in the core and lower plenum and hot streaking in the lower plenum (regions of very hot gas flow) are affected by bypass flow. In the present study, three-dimensional computational fluid dynamic (CFD) calculations of a typical prismatic VHTR are conducted to better understand bypass flow phenomena and establish an evaluation method for the reactor core using the commercial CFD code FLUENT. Parametric calculations changing several factors ...

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, ...

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 ...

Medline Plus

... the pulmonary vein and because there's a gap, electricity is going across the ablation line and capturing ...

DEFF Research Database (Denmark)

Udgivelsesdato: 2009

British Library Electronic Table of Contents (United Kingdom)

A novel continuous laminar shear structuring crystallizer with a suitable cooling system was designed and built. This is a new method to continuously crystallize edible fat in the desirable polymorphic form from the melt while being uniformly sheared.The machine consists of four main sections: Feed unit, shearing mechanism, cooling system and power unit. In each of these sections specific design considerations are taken into account which makes the process controllable and continuous. The shearing unit is made of two concentric cylinders. The internal cylinder is stationary and has a cooling system inside for temperature control. The outer cylinder rotates to produce a uniform shear in the sample fluid placed in the 1.5mm gap between the cylinders. The sample's feed rate is controlled whil...

International Nuclear Information System (INIS)

The effect of both dopant and neutron radiation on the optical and thermal properties of polyvinyl chloride (PVC) has been studied. The doped samples with Pb and Cd were irradiated with a 14 MeV-neutron fluence in the range 7-28.8 x 10"9 n/cm"2. The optical energy gap E_o_p exhibits a significant dependence on the type of additive and the neutron irradiation fluence. The specific heat at constant pressure C_p showed a nonmonotonical change with radiation fluence. The results of this study show that PVC:Pb behaves as a crystalline structure which is only slightly affected by neutron irradiation, while PVC:Cd is highly affected. (author).

British Library Electronic Table of Contents (United Kingdom)

Forest gap models have been used widely in the study of forest dynamics, including predicting long-term succession patterns and assessing the potential impacts of climate change on forest structure and composition. However, little effort is devoted to predict forest dynamics in the high elevation areas, although they have the sensitive response to global climate change. In the present study, based on a modified height-diameter function, we developed a new version (FAREAST-GFSM) of the forest patch model, FAREAST for simulating the changes of subalpine forests. The observed data from the Gongga Mt. Alpine Station were also used to test model precision. With the improved performance of FAREAST-GFSM, we explored the impact of three warming scenarios on subalpine forest on the eastern Tibetan ...

Energy Technology Data Exchange (ETDEWEB)

Abstract - We have designed, built, and tested a 2-D pixellated thermal neutron detector. The detector is modeled after the MicroMegas-type structure previously published for collider-type experiments. The detector consists of a 4X4 square array of 1 cm 2 pixels each of which is connected to an individual preamplifier-shaper-data acquisition system. The neutron converter is a 10B film on an aluminum substrate. We describe the construction of the detector and the test results utilizing 252Cf sources in Lucite to thermalize the neutrons.Drift electrode (Aluminum) Converter (10B) 3 mm Conversion gap neutron (-900 V)

Energy Technology Data Exchange (ETDEWEB)

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 results of the study of dimensionally dependent fluorescence of boron difluoride ?-diketonates of general formula (R1COCHCOR2)BF2 are presented. The fact that for most of the compounds studied a noticeable hypsochrome shift of the luminescence band maximum is characteristic during transition from bulk crystals to microcrystals was detected. However, for boron difluoride dibenzoylmethanate having a unique supramolecular structure, a bathochromic shift of luminescence due to the crustal size reduction is observed. The dimensionally dependent luminescence properties of the complexes have been analyzed within the exciton mechanism

Energy Technology Data Exchange (ETDEWEB)

The experimental results of the components substitution effect on crystal structure, electronic transport properties, and Eu effective valence in solid solutions based on EuCu{sub 2}Si{sub 2} and EuPd{sub 2}Si{sub 2} ternary compounds are presented. It is shown, that when the Eu effective valence reaches the critical value {nu}{sup cr}{sub eff}=2.1, corresponding to degeneration of the 4f{sup 7} and 4f{sup 6} configurations, the condition of the concentrated Kondo system and an essential perturbation of the band electron spectrum near the Fermi level occur. (orig.).

International Nuclear Information System (INIS)

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

Energy Technology Data Exchange (ETDEWEB)

A 4-loop Pressurised Water Reactor (PWR) primary coolant system has been analysed for the postulated Loss of Coolant Accident (LOCA) event in order to derive peak dynamic loads for qualifying the design of equipment supports and pipe whip restraints. Pipe whip restraints as well as pipe and equipment supports are nonlinear by nature because of the presence of gaps and the different directional stiffnesses arising from snubber, steelwork and geometric and material interaction at the concrete to steel embedment. The different structural idealisations for the supports and restraints have an influence on the dynamic response of the structure. In the first of the two part paper a range of idealisation models for the Steam Generator and Reactor Coolant Pump vertical columns ranging from elastic stiffnesses to bilinear stiffnesses with or without preload were examined. Due to both structural and loading ...

Energy Technology Data Exchange (ETDEWEB)

A new class of one-dimensional active acoustic metamaterials (AAMMs) with programmable effective densities is presented. The proposed AAMM is capable of producing densities that are orders of magnitudes lower or higher than the ambient fluid. Such characteristics are achieved by using an array of fluid cavities separated by piezoelectric diaphragms that are controlled to generate constant densities over wide frequency bands. The piezodiaphragms are augmented with passive electrical components to broaden the operating frequency bandwidth and enable densities higher than the fluid medium to be generated. The use of these components is shown to be essential to maintain the closed-loop compliance of the piezodiaphragm away from the zone of elastic instabilities. The values of the passive components are selected on a rational basis in order to ensure a balance between the frequency bandwidth and control voltage. With this unique structure of the ...

International Nuclear Information System (INIS)

Moss-Schottky plots and photoelectrochemical measurements were made on films formed at different potentials on AISI 304 stainless steel in a borate/boric acid solution, pH 9.2. The results allowed the determination of the semiconductive properties and band structure of the films, which account for the existence of two kinds of films depending on the formation potential. For potentials below 0 V (SCE), the results point out for a film with an inverse spinel structure constituted by Cr-substituted magnetite with two donor levels. Above 0 V only one donor level is detected, which should be Fe"2 "+ on tetrahedral sites.

Energy Technology Data Exchange (ETDEWEB)

AZ31 magnesium alloy was friction-welded to AM60 and the microstructures and the friction welding process were studied. The microstructures changed near the weld interface. The AZ31 was refined to a grain size of several {mu}m near the weld interface. The nucleation occurred in the shear bands that were introduced during the welding process. On the other hand, the eutectic structure was deformed and the lamellar structure which was composed of {alpha}-Mg and Mg{sub 17}Al{sub 12} was formed near the weld interface in AM60 alloy. In the friction process, the adhesion and peel off occurred alternately between AZ31 and AM60. Eventually, bonding was completed during upset process. (orig.)

International Nuclear Information System (INIS)

O.K. Andersen has recently introduced a linear augmented plane wave method (LAPW) for the calculation of electronic structure that was shown to be computationally fast. A more general formulation of an LAPW method is presented here. It makes use of a freely disposable number of eigenfunctions of the radial Schroedinger equation. These eigenfunctions can be selected in a self-consistent way. The present formulation also results in a computationally fast method. It is shown that Andersen's LAPW is obtained in a special limit from the present formulation. Self-consistent test calculations for copper show the present method to be remarkably accurate. As an application, scalar-relativistic self-consistent calculations are presented for the band structure of FCC lanthanum. (author).

International Nuclear Information System (INIS)

Passive films formed on Alloy 690 in different pH solutions at high temperatures were studied by potentiodynamic polarization, Auger electron spectroscopy, thermodynamic diagrams and the Mott-Schottky relation. The chemical compositions and electronic structures of the passive films were found to be strongly pH-dependent. In alkaline solutions, a secondary passivation was clearly observed on potentiodynamic polarization curves. The passive films were a mixture of Cr2O3 and FeCr2O4 below the flat band potential of nickel oxide and were NiFe2O4 above this potential. Electronic structure models, describing the electrochemical properties of the passive films, are proposed and discussed.

Energy Technology Data Exchange (ETDEWEB)

Between 25 and 30 percent of total known petroleum reserves are contained within oil-laden fractured reservoirs where the dominant flow path is through the fractures. Economic oil recoveries from fractured reservoirs depend on a better understanding of the flow in fractures and networks of fractures. However, the flow of heavy oil and water, and particularly the flow regime map for two-phase immiscible flow has received less attention in contrast with gas-liquid flow in fractures. This paper discussed the use of flow pattern observations in a Hele-Shaw cell to generate two-phase flow regime maps. The paper investigated the effect of fracture gap and fluid viscosities on flow regimes. A correlation based on different flow and fracture properties was developed to define flow transition conditions between flow regimes. The paper presented the experiments, with particular reference to the experimental apparatus and the liquid-liquid system used in the experiments. ...

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 ...

Energy Technology Data Exchange (ETDEWEB)

The 4025/2 bands in [sup 177]Ta which are ''identical'' to the neighboring even-even [sup 176]Hf groundstate band have been extended to higher angular momentum. These bands in the two nuclei are seen to diverge from each other in the region of the first i[sub 13/2] neutron alignment. The lower observed crossing frequency for the 4025/2 bands indicates a lower deformation for these bands compared to [sup 176]Hf. Extensions to the h[sub 9/2] 5411/2 yrast band are also reported. (orig.)

International Nuclear Information System (INIS)

For the intermetallic system CaCdsub(1-x)Tlsub(x), 0 <= x <= 1, the Knight shift Ksub(s) of the Cd-NMR and the Tl-NMR were calculated as a function of x, Ksub(s) = Ksub(s)(x). The theoretical investigations were performed on the basis of relativistic augmented-plane-wave (RAPW) band-structure calculations for the boundary phases CaCd and CaTl respectively, and by using the rigid band model for the ternary phases. The density of states and the matrix elements of the relativistic hyperfine operator for electron states at the Fermi surface were calculated in detail. The obtained values were compared with nonrelativistic calculations. The effect of using different exchange potentials was studied for Ksub(s)(Tl). For the Cd-NMR the relativistic effects enhance the nonrelativistic results by a factor of about 1.4. The theoretical value for the Knight shift is smaller than the experimental one by a factor of 1.13. The band ...

International Nuclear Information System (INIS)

This thesis is devoted to the study and development of Heterojunction Bipolar Transistors (HBTs) designed for high voltage operation. The work concentrates on the use of wide bandgap III-V semiconductor materials as the collector material and their associated properties influencing breakdown, such as impact ionisation coefficients. The work deals with issues related to incorporating a wide bandgap collector into double heterojunction structures such as conduction band discontinuities at the base-collector junction and results are presented which detail, a number of methods designed to eliminate the effects of such discontinuities. In particular the use of AlGaAs as the base material has been successful in eliminating the conduction band spike at this interface. A method of electrically injecting electrons into the collector has been employed to investigate impact ionisation in GaAs, GaInP and AlInP which has used the ...

Energy Technology Data Exchange (ETDEWEB)

The Thai natural rubber economy is described in the context of the world rubber market. An econometric model is estimated for 15 structural equations; it includes the Thai, US, and rest-of-the-world rubber economies. Several simulation experiments are analyzed for the period from 1984 to 1995. Impact and dynamic multipliers are reported for major endogenous variables in response to changes in US GDP, world crude oil price, Thai replanting cess tax and Thai natural rubber production. A 1%, one-time increase in the US GDP has a positive effect on the Singapore natural rubber price. A world crude oil price decline shock has a negative effect in both the short-run and the long-run. The INRO buffer stock stabilization policy as well as alternative domestic Thai policies of market intervention are analyzed. The simulation results show that buffer stock management which allows a price band of +/-20% around the price target has the most stabilized ...

International Nuclear Information System (INIS)

We report, for the first time to our knowledge, on the active optical planar waveguides in Nd : YAG laser crystals fabricated by O3+ ion implantation at low doses of ?1014 ions cm-2. The reconstructed refractive index profiles based on the measured dark-mode spectroscopy show that an enhanced refractive index well is created in the near-surface region, forming a non-leaky waveguide structure. With thermal annealing treatment at 260 0C for 90 min, the propagation losses of the waveguides could be reduced to ?3 dB cm-1 at a wavelength of 632.8 nm. The micro-luminescence investigation reveals that the emission bands of Nd3+ ions are not significantly affected by the waveguide formation processing, which shows promising potentials for efficient waveguide laser operations at near-infrared wavelength bands.

Energy Technology Data Exchange (ETDEWEB)

The coherent interaction of femtosecond laser pulses and a thin CdSe sample is investigated both experimentally and theoretically. Observation of coherent phenomena in semiconductors is very rare because the incoherent processes occur in the femtosecond time domain in these materials. One example of such a phenomena is the so called optical Stark effect of exciton where a blue shift of the exciton resonance occurs as a result of pumping below the bandgap. The coherent effects involving band-to-band and also exciton transitions. Using femtosecond transmission measurements clear evidence was observed for coherent interference effects of the light field and the driven material polarization. These interferences manifest themselves as oscillatory structures in the differential transmission spectra. The oscillatory features are explained by comparison with a semiclassical theory. Examples of the computed results are presented for different time ...

Energy Technology Data Exchange (ETDEWEB)

A non-invasive, wide-band electromagnetic (EM) impedance difference system for shallow subsurface electrical structure characterization in environmental and engineering problems has been developed at the Lawrence Berkeley National Laboratory (LBNL). Electrical parameters of interest are electrical conductivity and dielectric permittivity that are deduced from the impedance difference data. The prototype system includes a magnetic loop transmitter, which operates between 0.1 MHz and 100 MHz, an electrical dipole antenna for observing the electric field, and a loop antenna for measuring the magnetic field.All antennas are mounted on a cart made of non-metallic material for easy movement of the whole array for profiling. Surface EM impedance difference is obtained by taking the difference of the ratios of the electric fields to the magnetic fields at selected frequencies at two different levels. Numerical simulations will be presented to verify ...

Energy Technology Data Exchange (ETDEWEB)

When a metallic alloy is quenched into a miscibility gap, a mixture of two phases develops, whose domain structure then coarsens because of the interfacial energy between the two phases. This spatial arrangement of the domains and the rate at which they evolve may be strongly influenced by elastic interactions. In a recent paper, the authors described a method for simulating the effect of anisotropic elastic interactions in a two-dimensional Ising model of a cubic alloy, using Kawasaki dynamics with the elastic interactions represented by a long-range two-body interaction potential. Here they present the results of such simulations at various temperatures, alloy compositions and misfits (by misfit they mean the difference in size between the two kinds of atom), exhibiting snapshots both of the microscopic configurations (corresponding to experimental measurements using transmission electron microscopy) and of their squared Fourier transforms ...

Science.gov (United States)

We describe the Hubble Space Telescope (HST) Wide Field Camera 3 (WFC3) Early Release Science (ERS) observations in the GOODS-South field. The new WFC3 ERS data provide calibrated, drizzled mosaics with FHWM=0.07--0.15" in the near-UV (filters F225W, F275W, and F336W) and near-IR (F098W, F125W, and F160W) in typically 2 orbits per filter. Together with the existing HST/ACS GOODS-S mosaics in the BVi'z' filters, the 10-band ERS data cover 40-50 sq. arcmin to AB=26-27.0 mag (10-sigma for point sources). In this poster, we describe the: (1) scientific rationale, data taking and reduction procedures of the WFC3 ERS mosaics; (2) object cataloging and star-galaxy separation techniques used in these 10 different filters; (3) reliability and completeness of the 10-band object catalogs from the ERS mosaics; (4) object counts in 10 different filters from 0.2-1.7 microns to AB=26.0-27.0 mag; and (5) the full-color 10-band ERS images. ...

Science.gov (United States)

The dependence of the photoluminescent properties of In{sub 0.48}(Al{sub {ital y}}Ga{sub 1{minus}{ital y}}){sub 0.52}P alloys (0{le}{ital y}{le}0.5) on growth temperature and substrate misorientation off GaAs(100) has been studied. Samples were grown using low-pressure metalorganic vapor phase epitaxy. By studying the dependence of ordering behavior in InGaP as a function of substrate misorientation and growth temperature simultaneously, a very large range in low-temperature photoluminescence emission energy---135 meV---has been obtained. The photoluminescence linewidth exhibits a strong, continuous dependence on the extent of atomic ordering (the emission energy) in the alloys. The results indicate that inhomogeneity in the microstructure of the material (i.e., between ordered'' domains and the disordered'' matrix) is the dominant photoluminescence broadening mechanism. This investigation has allowed a significant optimization of the optical ...

International Nuclear Information System (INIS)

We have demonstrated that optical images can be stored in transparent lead-lanthanum-zirconate-titanate (PLZT) ceramics by exposure to near-UV light with photon energies greater than the band gap energy of approx. equal to 3.35 eV. The image storage process relies on optically induced changes in the switching properties of ferroelectric domains (photoferroelectric effect). Stored images are nonvolatile but can be erased by uniform UV illumination and simultaneous application of an electric field. Although high quality images, with contrast variations of >= 100:1 and spatial resolution of approx. equal to 10 #mu#m, can be stored using the photoferroelectric effect, relatively high exposure energies (approx. equal to 100 mJ/cm"2) are required to store these images. This large exposure energy severely limits the range of possible applications of nonvolatile image storage in PLZT ceramics. We have recently found from studies of H, He and Ar ...

International Nuclear Information System (INIS)

Full text: Hybrid functionals, containing a fraction of the exact exchange, allow for a rather accurate treatment of e.g. small molecules and band gaps in bulk materials. A plane-wave based algorithm was implemented in VASP (Vienna Ab-initio Simulation Package) to accomplish the calculation of the exact exchange. Two functionals including exact exchange are presently available, i.e. the PBE0 (Perdew-BurKEX-Ernzerhof) and the HSE (Heyd-Scuseria-Ernzerhof). A rigorous assessment of the implementation was performed by geometry optimization and calculation of the atomization energies of the G2-1 quantum chemical test set, containing 55 molecules. Excellent agreement compared to corresponding Gaussian 03 data and good agreement with experiment was achieved. The mean absolute error (theory related to experiment) for the atomization energies calculated with the PBE and the PBE0 is 8.6 and 3.7 kcal/mol, respectively. To investigate the properties of ...

International Nuclear Information System (INIS)

Exploration for epithermal Au has been active lately in the Aegean Sea of the eastern Mediterranean Basin, both in the islands of the Quaternary arc and in those of the back-arc region. The purpose of this study was the structural mapping and analysis for a preliminary investigation of possible epithermal gold mineralization, using remotely sensed data and techniques, structural and field data, and geochemical information, for a specific area on the Island of Lesvos. Therefore, Landsat-TM and SPOT-Pan satellite images and the Digital Elevation Model (DEM) of the study area were processed digitally using spatial filtering techniques for the enhancement and recognition of the geologically significant lineaments, as well as algebraic operations with band ratios and Principal Component Analysis (PCA), for the identification of alteration zones. Statistical rose diagrams and a SCHMIDT projection Stereo Net were generated from ...

DEFF Research Database (Denmark)

Udgivelsesdato: DEC

Energy Technology Data Exchange (ETDEWEB)

A high power (200KV), intense current density, low emittance (71mmmrad), high brightness (8x10{sup 10}A/m rad) electron beam was generated in the 10cm long, high-voltage-resistive multi-gap hollow cathode pseudospark chamber filled with 15pa nitrogen and driven by an improved pulse line accelerator. The beam was ejected with the 1mm diameter, the 2.2KA beam current, and the 400ns pulse length, and could propagated 20cm in the drift tube. At a distance of 5cm from the anode it penetrated consecutively an acid-sensitive discoloring film and a 0.05mm-thick copper foil both stuck closely, left 0.6mm and 0.3mm holes on them, respectively. That 10 shots on an acid-sensitive film produced a hole of 1.6mm at 7cm downstream of anode showed its good repeatability. After 60 shots the pseudospark discharge chamber was disassembled and observed that almost no destructive damage traces left on the surfaces of its various electrodes and insulators. But on almost all the surfaces ...

International Nuclear Information System (INIS)

This study was undertaken to determine the scope and focus for an integrated assessment of climate change impacts on, and adaptation options for, the Cairns Great Barrier Reef (CGBR) region. To achieve this, the authors employed both technical expertise and regional stakeholder input. This document describes the study objectives and the process used to meet these objectives, and provides an overview of the CGBR region, the views of technical experts on potential climate change impacts, stakeholder prioritisation of impacts and adaptation options, a list of perceived knowledge gaps, and a recommended structure for a future integrated assessment in the region. The aim of the study was to determine the scope and focus for an integrated regional assessment of climate change impacts on, and adaptation options for, the CGBR region. The key objectives of the study were: Define and describe the study region; Develop a process for the study, which ...

International Nuclear Information System (INIS)

There are 173 three quasiparticle rotational bands, out of which 38 bands display signature splitting and sometimes a signature inversion also. The observed signature splitting is basically due to the higher order Coriolis coupling and calculation based on particle rotor model (PRM) are in progress

Science.gov (United States)

The zinc-blende (ZB) and wurtzite (W) structures are the most common crystal forms of binary octet semiconductors. In this work we have developed a simple scaling that systematizes the {ital T}=0 energy difference {Delta}{ital E}{sub W{minus}ZB} between W and ZB for all simple binary semiconductors. We have first calculated the energy difference {Delta}{ital E}{sub W{minus}ZB}{sup LDF}({ital AB}) for AlN, GaN, InN, AlP, AlAs, GaP, GaAs, ZnS, ZnSe, ZnTe, CdS, C, and Si using a numerically precise implementation of the first-principles local-density formalism (LDF), including structural relaxations. We then find a {ital linear} scaling between {Delta}{ital E}{sub W{minus}ZB}{sup LDF}({ital AB}) and an atomistic orbital-radii coordinate {ital {tilde R}}({ital A},{ital B}) that depends only on the properties of the free atoms {ital A} and {ital B} making up the binary compound {ital AB}. Unlike classical ...

CERN Document Server

A simple analytical model of the barrier discharge in a long gap between opposing plane electrodes is developed. It is shown that the plasma density becomes uniform over large part of the gap in the course of the discharge development, so that one can speak of a formation of a dynamic positive column. The column completely controls the dynamics of the barrier discharge and determines such characteristics as the discharge current, discharge duration, light output, etc. Using the proposed model, all discharge parameters can be easily evaluated

Science.gov (United States)

Nonparabolicity of the heavy hole band in diamond-like semiconductors, which occurs within the framework of the three band model with the perturbation from the other bands taken into account according to the Loewdin procedure, is studied. A direct dependence of nonparabolicity on the band anisotropy (caused by the different effect of Gamma/sub 15c/ and Gamma/sub 12c/ bands) and the inverse dependence on the magnitude of the spin-orbit splittiing is established. A connection between the effective mass of heavy holes and their energy is obtained, which is valid for the majority of diamond-like semiconductors, except for materials with a very strong nonparabolicity of the band of silicon type

British Library Electronic Table of Contents (United Kingdom)

In this paper, we present the photoluminescence properties of Pr3+-, Sm3+- and Dy3+-doped germanate glasses and glass ceramics. From the X-ray diffraction measurement, the host glass structure was determined. These glasses have shown strong absorption bands in the near-infrared (NIR) region. Compared to Pr3+-, Sm3+- and Dy3+-doped glasses, their respective glass ceramics have shown stronger emissions due to the Ba2TiGe2O8 crystalline phase. For Pr3+-doped glass and glass ceramic, emission bands centered at 530nm (3P03H5), 614nm (3P03H6), 647nm (3P03F2) and 686nm (3P03F3) have been observed with 485nm (3H43P0) excitation wavelength. Of them, 647nm (3P03F2) has shown bright red emission. Emission bands of 4G5/26H5/2 (565nm), 4G5/26H7/2 (602nm) and 4G5/26H9/2 (648nm) for the Sm3+:glass and gl...

Science.gov (United States)

Ternary copper(II) complexes [Cu(L1)B](ClO4) (1, 2) and [Cu(L2)B](ClO4) (3, 4), where HL1 and HL2 are tridentate NSO- and ONO-donor Schiff bases and B is a heterocyclic base, viz. dipyrido[3,2-d:2',3'-f]quinoxaline (dpq, 1 and 3) or dipyrido[3,2-a:2',3'-c]phenazine (dppz, 2 and 4), were prepared and their DNA binding and photoinduced DNA cleavage activity studied. Complex 1, structurally characterized by single-crystal X-ray crystallography, shows an axially elongated square-pyramidal (4 + 1) coordination geometry in which the monoanionic L1 binds at the equatorial plane. The NN-donor dpq ligand exhibits an axial-equatorial binding mode. The complexes display good binding propensity to calf thymus DNA, giving a relative order 2 (NSO-dppz) > 4 (ONO-dppz) > 1 (NSO-dpq) > 3 (ONO-dpq). They cleave supercoiled pUC19 DNA to its nicked circular form when treated with 3-mercaptopropionic acid (MPA) by formation of hydroxyl radicals as the cleavage active species ...

CERN Document Server

The recently measured experimental data of Argonne National Laboratory for high-spin states in neutron-rich $^{71,73,75,77}$Ga isotopes have been interpreted in the framework of large-scale shell model. Calculations have been performed in $f_{5/2}pg_{9/2}$ model space with two recent effective shell model interactions, JUN45 and jj44b. We also predict high-spin states for $^{79,81}$Ga, where very little is known experimentally. The calculated results show that existence of band structure built on top of the 3/2$^-$, 5/2$^-$ and 9/2$^+$ levels in $^{71-77}$Ga. The collective structure reflected in experimental data is not well reproduced in calculated values. The calculated positive parity states in $^{71,73,75}$Ga are higher in energy in comparison to experimental finding, while for $^{77,79}$Ga, the positive parity states are in better agreement. Both the interactions predict, leading configuration of $\\pi(f_{5/2}^3)$ and ...

International Nuclear Information System (INIS)

Excitonic transitions in metalorganic vapor phase epitaxially grown In_xGa_1_-_xP/In_0_._4_8(Al_0_._7Ga_0_._3)_0_._5_2P strained single quantum-well structures are characterized using low-temperature photoluminescence and photoluminescence excitation (PLE) spectroscopies. The structures consist of several uncoupled quantum wells with thicknesses between 1.2 and 11.3 nm, and compositions x of 0.48 (nominally lattice matched) and 0.56 (#approx#0.6% biaxial compressive strain). The photoluminescence spectra exhibit intense peaks over the wavelength range 550--650 nm, with linewidths between 7 and 23 meV depending on the well thickness. The PLE spectra reveal strong heavy-hole and light-hole transitions, as well as higher-order (n=2) transitions in the thicker wells. The heavy-hole/light-hole splitting shows little dependence on well thickness in the strained structures, indicating a relatively large conduction ...

Energy Technology Data Exchange (ETDEWEB)

The ortho-metalated Pt(II) complexes Pt(ppy)(CO)Cl (1), Pt(ptpy)(CO)Cl (2), and Pt(ppy)(Hppy)Cl (3) (where ppy and ptpy are respectively the ortho-C-deprotonated forms of 2-phenylpyridine and 2-p-tolylpyridine and Hppy is 2-phenylpyridine) have been prepared. The CO ligand is coordinated trans to the nitrogen atom of the ortho-metalated ligand and exerts a strong trans effect resulting in a relatively long Pt-N bond [2.114(19) {angstrom}]. This structure shows both the bidentate ppy ligand and the monodentate Hppy with the nitrogens of these ligands trans to each other. The UV/vis electronic absorption spectra of 1-3 have intense bands in the near-UV region ({approximately}375 nm) which have been assigned as metal to ligand charge transfer (MLCT) transitions, and higher energy bands were assigned as ligand-centered transitions. Each complex exhibits relatively long-lived structured emissions in the ...

Science.gov (United States)

"ID# ","Measurement ID Number " "DATE ","Date " "JDATE ","Julian Date " "TIME ", "Local Time " "GMT ","Greenwich Mean Time " "BAND ","Dielectric Probe Band ...

International Nuclear Information System (INIS)

We report de Haas--van Alphen measurements of the Fermi surface of lutetium at temperatures down to 0.3 K and in fields up to 150 kG in the (1010) and (1120) planes. Lutetium, having a filled 4f shell, serves as a nonmagnetic prototype of the structurally similar (hcp), trivalent, heavy rare-earth elements from Gd to Tm. The fact that no complete frequency branches were observed indicates that there are no closed pieces of the Fermi surface. We observed all but one orbit predicted by relativistic augmented-plane-wave calculations of Keeton and Loucks and by recent spin-orbit--linearized-augmented-plane-wave calculations of Tibbetts and Harmon. The data support a geometry similar to that of yttrium, and in good qualitative agreement with energy-band theory.

DEFF Research Database (Denmark)

We suggest and study designed defects in an otherwise periodic potential modulation of a two-dimensional electron gas as an alternative approach to electron spin based quantum information processing in the solid-state using conventional gate-defined quantum dots. We calculate the band structure and density of states for a periodic potential modulation, referred to as an antidot lattice, and find that localized states appear, when designed defects are introduced in the lattice. Such defect states may form the building blocks for quantum computing in a large antidot lattice, allowing for coherent electron transport between distant defect states in the lattice, and for a tunnel coupling of neighboring defect states with corresponding electrostatically controllable exchange coupling between different electron spins.

Science.gov (United States)

A separation phenomenon occurring during the Charpy impact test of API X80 pipeline steels was investigated in the present study. A detailed microstructural analysis of fractured impact specimens showed that the band structure of bainite elongated along the rolling direction worked as prior initiation sites for separations, and that the number and length of the separations increased with the increasing volume fraction of bainite. In the steels having high work hardenability, tearing-shaped separations were found because the hammer-impacted region was seriously hardened during the impact test, which led to the reduction in the impact toughness. As the test temperature decreased, the tendency toward separations increased, but separations were not found when the cleavage fracture prevailed at very low temperatures. These findings suggested that the formation of bainite and secondary phases should be minimized for preventing or minimizing ...

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 bandgaps used by ...

International Nuclear Information System (INIS)

The paramagnetic susceptibilities of all the RCo_2 compounds for which measurements are available are found to obey a Curie-Weiss law consistent with the modified indirect exchange model. The rare-earth ions are in a well defined tripositive valence state. Paramagnetic moments and paramagnetic Curie temperatures are obtained for these materials for the first time. The paramagnetic moments of these materials are changed from their free-ion values by the effects of itinerant electron polarisation, an effect which is particularly large for SmCo_2 whose paramagnetic moment is almost three times greater than the free-ion value. The modified indirect exchange model is found to be able to give a full description of the magnitude of the rare-earth, cobalt and diffuse moments in polarised neutron experiments. The band structures of the light RCo_2 compounds are found to be distinctly different to those of the heavy RCo_2 compounds. (author).

International Nuclear Information System (INIS)

Intermediate products of the conversions of 6-aminophenalenone in ethanol were investigated by pulse radiolysis. In alkaline medium the main product is the 6-aminophenalenone radical cation, the optical absorption spectrum of which contains two bands with maxima at 355 and 400 nm. The precursors of this particle are e_s, CH_3CHOH and CH_3CHO"- radicals. In neutral and acid medium, radical cations are protonated in reactions with alcohol and hydrogen ions. The H-adduct of 6-aminophenalenone that arises has optical absorption maxima at 350 and 390 nm. The presence of two maxima is due to two different structures of the product. The molar extinction coefficients of the radical anions and H-adducts of 6-aminophenalenone and the rate constants of the reactions involving them were estimated. 6 refs., 4 figs., 2 tabs.

CERN Document Server

The hyperfine interactions at the uranium site in the antiferromagnetic USb2 compound were calculated within the density functional theory (DFT) employing the augmented plane wave plus local orbital (APW+lo) method. We investigated the dependence of the nuclear quadruple interactions to the magnetic structure in USb2 compound. The investigation were performed applying the so called band correlated LDA+U theory self consistently. The self consistent LDA+U calculations were gradually added to the performed generalized gradient approximation (GGA) including scalar relativistic spin orbit interactions in a second variation scheme. The result, which is in agreement with experiment, shows that the 5f-electrons have the tendency to be hybridized with the conduction electrons in the ferromagnetic uranium planes.

CERN Document Server

We study the ground state of an ideal coupled two-component gas of ultracold atoms in a one dimensional optical lattice, either bosons or fermions. Due to the internal two-level structure of the atoms, the Brillouin zone is twice as large as imposed by the periodicity of the lattice potential. This is reflected in the Bloch dispersion curves, where the energy bands regularly possess several local minima. As a consequence, when the system parameters are tuned across a resonance condition, a non-zero temperature topological first order phase transition occurs which arises from an interplay between initernal and kinetic atomic energies. It is shown that these phenomena are also captured for two and three dimensional optical lattices.

Science.gov (United States)

Using Pd and Ag L3,2-edge x-ray-absorption near edge structures (XANES) and x-ray photoemission spectroscopy, we have investigated the charge distribution in a series of Pd-Ag alloys (Pd3Ag, PdAg, and PdAg3) from a local perspective. It is found that, relative to the pure element, both Pd and Ag gain d and lose non-d (s and p) charge upon alloying. The results are discussed in terms of band filling, rehybridization, electronegativity, and electroneutrality considerations. The possibility of using the L3,2-edge XANES white line to circumvent the need of an appropriate volume for charge transfer discussions and for other applications are noted.

British Library Electronic Table of Contents (United Kingdom)

The z-phase, existing between 35% and 70% U in Pu, belongs to the high-density phases seen from the point of view of systematics of allotropic modifications of Pu metal. Despite the volume per actinide atom only slightly higher than for a-Pu, it magnetic susceptibility is much higher than for a-Pu and exceeds even the d-Pu value. Similarly, the Sommerfeld coefficient g>40mJ/mol Pu K2 exceeds the experimental d-Pu value. The data confirm that the volume is not the primary control parameter affecting the situation around the Fermi level of common Pu phases and they point against the traditional belief that they are essentially narrow 5f band systems. Electronic structure calculations suggest that the 5f states of Pu have slightly lower occupancy comparing with d-Pu. A tendency to the 5f loca...

Energy Technology Data Exchange (ETDEWEB)

Calculating work-function modifications for flat-lying conjugated molecules on extended metal surfaces using density functional theory (DFT) is an extremely resource intensive task. This prevents fast screening of new molecules for their potential to optimize metal work functions for good electron or hole injection in organic electronic devices. We present a semi-classical model, which avoids that problem. This is achieved by identifying the dominant processes occurring at the interface between metal and adsorbate in the pinning-regime, which are then parameterizing their description using band-structure DFT calculations for a small training set With the resulting interdependent equations at hand, only simple gas-phase calculations are needed to predict the work-function changes induced by new molecules. The model is tested for ten molecules on three different metal surfaces, where it shows excellent agreement with photoelectron spectroscopy data on these systems.

Energy Technology Data Exchange (ETDEWEB)

In 1982 the semi-submersible drilling unit Ocean Ranger capsized and sank off the Grand Banks, resulting in the loss of the entire 84-man crew. A Royal Commission was set up to conduct an enquiry into the incident, and to carry out a process of research and opinion-gathering towards providing recommendations to both federal and Newfoundland governments. The primary purpose of the Commission was to determine why the Ocean Ranger sank, why none of the crew were saved, and how to avoid similar disasters. A number of studies and seminars were held to focus expert knowledge and opinion in several key fields and to update studies and fill gaps in the data base. Summaries of selected study reports and the seminar proceedings are presented in the following areas: the environment, including ice, marine climatology, weather forecasting services, wave climatology, oceanographic information, and seabed information; design, including mobile offshore drilling rig design ...

International Nuclear Information System (INIS)

At room pressure and temperature the system EuOsub(1-x)Nsub(x) has two solid-solubility ranges, each with the NaCl structure: for 0 =< x =< 0.30 the system is ferromagnetic and semiconducting above the Curie temperature; for 0.92 =< x <1 it is metallic. Conductivity and Seebeck voltages indicate intrinsic behaviour above 310 K with an energy gap that decreases with increasing x for 0 =< x =< 0.30. Magnetic susceptibilities are consistent with 4f"6 configurations at x europium ions per molecule and a ferromagnetic Curie temperature Tsub(C) that increases with x. Low-temperature transport measurements were made only for 0.20 =< x =< 0.30: a minimum in the electrical conductivity, approximately 30 K above Tsub(C) correlates well with the onset of an anomalous low-temperature crystal contraction and with deviations from a Curie-Weiss law typical of short-range magnetic order. Below Tsub(C) there is a metal-to-semiconductor ...

Energy Technology Data Exchange (ETDEWEB)

Three dimensional computational fluid dynamic (CFD) calculations of a typical prismatic very high temperature gas-cooled reactor (VHTR) were conducted to investigate the influence of gap geometry on flow and temperature distributions in the reactor core using commercial CFD code FLUENT. Parametric calculations changing the gap width in a whole core length model of fuel and reflector columns were performed. The simulations show the effects of core by-pass flows in the heated core region by comparing results for several gap widths including zero gap width. The calculation results underline the importance of considering inter-column gap width for the evaluation of maximum fuel temperatures and temperature gradients in fuel blocks. In addition, it is shown that temperatures of core outlet flow from gaps and channels are strongly affected by the ...

KoreaScience (Korea)

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Energy Technology Data Exchange (ETDEWEB)

Lifetimes have been measured for dipole bands in {sup 142}Gd using DSAM. The deduced B(M1) and B(E2) values as well as B(M1)/B(E2) ratios are compared with calculations in the framework of the TAC (Tilted Axis Cranking) and SPAC (shears mechanism with Principal Axis Cranking) models. The dipole bands DB1 to DB4 can be interpreted as magnetic rotational bands. (orig.)

KoreaScience (Korea)

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KoreaScience (Korea)

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Energy Technology Data Exchange (ETDEWEB)

The electronic structure and properties of the cubic Laves phase (C15) compounds ZrZn/sub 2/ and ZrV/sub 2/ have been determined using our all-electron full-potential linearized-augmented-plane-wave (FLAPW) method for bulk solids. The computations were performed in two stages: (i) self-consistent warped muffin tin and (ii) self-consistent full potential. Spin-orbit coupling was included after either stage. The effects of the inclusion of the nonspherical terms inside the muffin tins on the eigenvalues is found to be small (of order 1 mRy). However, due to the fact that some of the bands near the Fermi level are flat, this effect leads to a much higher value of the density of states at E/sub F/ in ZnZr/sub 2/. The most important difference between the materials ZrZn/sub 2/ and ZrV/sub 2/ is the position of the d bands derived from the Zr and V atoms. Consequently, these materials have completely different Fermi surfaces. We ...

International Nuclear Information System (INIS)

In this work, new LaSi3N5:Ce3+ phosphors have been synthesized by solid-state reaction. Rietveld refinement of the crystal structure of La1-xCexSi3N5 reveals that Ce atoms substituted for La atoms occupy 4a crystallographic positions. Broad emission and excitation bands observed were attributed to the transitions between the doublet ground state of the 4f1 configuration and the crystal field components of the 5d1 excited state. At 77 K, the centroid and crystal field splitting ?cfs of the 5d levels of Ce3+ in LaSi3N5:Ce3+ compounds were valuated at 33.4x103 and 11.3x103 cm-1, respectively. The zero-phonon line and the Stokes shift were measured to be 26.0x103 and 5.0x103 cm-1, respectively.

International Nuclear Information System (INIS)

The /sup 40/Ca(p,n)/sup 40/Sc reaction was studied at 134 MeV. Neutron energy spectra were measured by the time-of-flight technique with resolutions of 220 keV at angles from 0"0 to 41"0 and 415 keV out to 62"0. The 2"-,3"-,4"-,5"- band of states based on the (f/sub 7/2/,d/sub 3/2//sup -1/) 1p1h structure was observed at low excitation energies, in good agreement with known analog states in /sup 40/Ca and /sup 40/K. The shapes of the cross-section and analyzing-power angular distributions are in good agreement with distorted-wave impulse-approximation calculations using simple 1p1h (Tamm-Dancoff approximation) shell-model wave functions. A relatively strong transition to a state at E/sub x/ = 2.3 MeV with L = 3 is identified tentatively as a 4"- state with the predominant 1p1h structure (1f/sub 7/2/,2s/sub 1/2//sup -1/).