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 ...

International Nuclear Information System (INIS)

The experimental results of the components substitution effect on crystal structure, electronic transport properties, and Eu effective valence in solid solutions based on EuCu_2Si_2 and EuPd_2Si_2 ternary compounds are presented. It is shown, that when the Eu effective valence reaches the critical value #nu#"c"r_e_f_f=2.1, corresponding to degeneration of the 4f"7 and 4f"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)

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 ...

International Nuclear Information System (INIS)

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

Science.gov (United States)

Charge flow and valence/d-band behavior in ion-beam-mixed (IBM) Pd1-xAgx (x = 0.5-0.9) alloys have been studied by X-ray photoemission measurement of the valence bands and of core-level binding energy shifts and X-ray absorption near-edge structure. We correlated the observed Ag 3d5/2 core-level shifts in these IBM alloys, relative to the elemental Ag, with the White Line area changes at the Pd and Ag L3-edge to investigate the charge redistribution at the Ag site. The results indicate that there is a decrease in sp-like conduction electron and a negligible change in the number of d-electrons at the Ag site upon alloying. These results are in line with our previous results in which Pd gains d-charges and loses sp-type charges. This electron redistribution due to hybridization in the alloy leads small net charge transfer from the Ag site to the Pd site in accordance with electronegativity predictions. ...

Energy Technology Data Exchange (ETDEWEB)

K{beta}-to-K{alpha} X-ray intensity ratios of Ti, Cr, Fe and Co in pure metals and in Cr{sub 0.26}Fe{sub 0.74}, Cr{sub 0.80}Co{sub 0.20} and Ti{sub 0.80}Cr{sub 0.20} alloys have been measured following excitation by 59.54 keV {gamma}-rays from a 7400 MBq (200 mCi) {sup 241}Am 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 ...

International Nuclear Information System (INIS)

The detailed energy-band structure of hexagonal-close-packed technetium, corresponding to the atomic configuration 4d"55s"2 of its seven outermost valence electrons, has been obtained throughout the Brillouin zone using the composite-wave variational version of the augmented-plane-wave (APW) method in conjunction with the X#alpha# (#alpha# = 0.702 99) exchange approximation for obtaining the potentials. From the band-structure data the electronic density of states (DOS) and the angular-momentum--decomposed DOS were calculated by the accurate Gilat-Raubenheimer method. These quantities were used to calculate the electron-phonon coupling constant and the transition temperature (T/sub c/) using the theories of Gaspari and Gyorffy and of McMillan. Also studied were the Fermi surface and the optical properties of Tc via the imaginary part of the interband dielectric constant for bound electrons, the latter ...

International Nuclear Information System (INIS)

We report a detailed augmented-plane-wave energy-band study and wave-function analysis of stoichiometric PdH which shows that, even though the Fermi surface of PdH is qualitatively similar to that of silver, the simple ''proton model'' is not valid. Instead, the screening of the proton in PdH is found to be larger than in an isolated H atom due, in part, to the formation of a H-Pd bonding band below the bottom of the d-band complex. This result, which is in qualitative agreement with Switendick's earlier calculation, is confirmed by ultraviolet photoemission experiments. A partial density-of-states (DOS) analysis in the energy range spanned by the six valence and conduction bands reveals the quantitative details of the bonding mechanism between the Pd and H constituents. At the Fermi energy, the high Pd d to H s DOS ratio approx. 10.3 is found to be far higher than expected in ...

British Library Electronic Table of Contents (United Kingdom)

A novel visible light sensitive photocatalyst, AgSbO3 was prepared by a conventional solid-state reaction method. This oxide belonging to a cubic-pyrochlore structure can absorb visible light with wavelength up to about 480nm. From the band structure calculation, we found that the top of the valence band consists of the hybridized Ag 4d and O 2p orbitals and the bottom of the conduction band mainly consists of the Ag 5s and the Sb 5s orbitals. Photocatalytic activities were evaluated using O2 evolution from an aqueous silver nitrate solution and decomposition of gaseous 2-propanol under visible light irradiation. We found that AgSbO3 shows a higher O2 evolution activity than WO3 and 2-propanol can be mineralized by the AgSbO3 photocatalysis under visible light irradiation.

International Nuclear Information System (INIS)

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

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. ...

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 uncertainties. Several other ...

Energy Technology Data Exchange (ETDEWEB)

The K{beta}-to-K{alpha} X-ray intensity ratio of Ni in Ni{sub 3}Si, Ni{sub 2}Si and NiSi has been determined by energy dispersive X-ray fluorescence technique. It is found that the intensity ratio of Ni decreases from pure Ni to Ni{sub 2}Si and then increases from Ni{sub 2}Si to NiSi, in good agreement with the electronic structure calculations cited in the literature. We have also performed band structure calculations for pure Ni in various atomic configurations by means of linear muffin-tin orbital method and used this data with the normalized theoretical intensity ratios cited in the literature to estimate the 3d-occupation numbers of Ni in Ni-Si alloys. It is emphasized that investigation of alloying effect in terms of X-ray intensity ratios should be carried out for the stoichiometric alloys in order to make reliable and quantitative comparisons between theory and experiment in transition metal alloys.

International Nuclear Information System (INIS)

A new analysis is developed for long secondary photocurrent transients which gives the distribution of trapped holes in valence band tail states. Thermally assisted tunneling to dangling bonds is implicated as the rate limiting step in hole-recombination. Light-soaking causes the energetically deeper hole traps with the longer residence times to be lost first and in the same number as would be expected for the increase in dangling bonds; This result supports a model which has hole trapping in valence tail states as a precursor to light induced dangling bonds.

Energy Technology Data Exchange (ETDEWEB)

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 band and the ...

Science.gov (United States)

Basic research of the structure and electronic properties of a-Si:H is reported with particular emphasis on the role of defects. The main findings are as follows: (1) low defect density material can be deposited at a high rate using SiH/sub 4/ diluted in He or Ne. Using Ar or Kr results in a high defect density and columnar material; (2) an electrical bias during deposition modifies the band gap, hydrogen concentration and structure; (3) the clustering of hydrogen in the regions between the columns is confirmed; (4) hydrogen diffusion is observed by NMR; (5) the oxidation of an a-Si:H surface results in approx. 3 x 10/sup 11/ cm/sup -2/ dangling bonds at the interface; (6) auger recombination of photoexcited carriers is a significant non-radiative mechanism at low temperatures; (7) non-radiative recombination by diffusion and capture at dangling bonds is observed at temperatures above 50 to 100/sup 0/K; (8) the defect ...

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High-spin states in the mirror pair nuclei {sup 49}Cr and {sup 49}Mn and their cross-conjugate partners, the mirror pair {sup 47}V and {sup 47}Cr have been investigated using experimental {gamma}-ray spectroscopic techniques. The combination of high-efficiency EUROBALL cluster Germanium detectors and clean exit-channel gating afforded by a 31-element silicon ball used in conjunction with a 15-detector neutron wall allowed a revision and extension to the energy level schemes of all four nuclei up to J{sup {pi}}=31{sup -}/2. The difference in excitation energy between states of equivalent spin in the parent nucleus and its analogue partner have thus been established for both mirror pairs up to the f{sub 7/2}-shell band terminating state for the first time. This difference is assumed to be due almost entirely to the Coulomb effect and is therefore called the Coulomb energy difference (CED). The variation in the CED with spin has been interpreted as reflecting the ...

Energy Technology Data Exchange (ETDEWEB)

The Si-L X-ray emission spectrum of amorphous hydrogenated silicon (a-Si:H) is presented and discussed. For a qualitative interpretation of the measured spectra cluster calculations of pure Si clusters (SiSi4) and Si clusters with hydrogen (SiSi3H) have been performed using a simplified LCAO-X scheme. In general the level shifts caused by introduction of hydrogen are small compared with the valence band width.

Energy Technology Data Exchange (ETDEWEB)

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)

... deformed nuclei eigenvalues even-odd nuclei gold 195 hamiltonians iridium

International Nuclear Information System (INIS)

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

Energy Technology Data Exchange (ETDEWEB)

Eu 4f electronic structures of a temperature-induced valence transition system EuPd{sub 2}Si{sub 2} have been investigated by bulk-sensitive high-resolution photoemission spectroscopy at temperatures from 20 to 300 K. The bulk Eu{sup 2+} 4f component is definitely distinguished from two surface Eu{sup 2+} 4f components. The changes in the spectral intensity of the bulk Eu{sup 2+} and Eu{sup 3+} 4f configurations and in the energy separation between these states are observed in the temperature dependent photoemission spectra. These temperature dependences are related to the valence transition of EuPd{sub 2}Si{sub 2}. The Eu mean valence is evaluated to be 2.75{+-}0.03 at 20 K and 2.30{+-}0.05 at 300 K. These values are in good agreement with those evaluated from Moessbauer and Eu L{sub III}-edge X-ray absorption measurements.

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

Quark models of production of cumulative particles and the EMC effect are analyzed. It is shown that all these models are characterized by a universal relation between the spectrum of cumulative nucleons and the cross section for cumulative particles containing valence quarks of the nucleus. This relation is tested for the deuteron, and the role of secondary nuclear processes for heavy nuclei is discussed. It is noted that the ''sea'' cumulative particles (K"-, p-bar) are particularly important for understanding the nature of the difference between the structure functions of a nucleus and of a free nucleon.

International Nuclear Information System (INIS)

Quark models of cumulative particle production and EMS effect are analyzed. All the models are characterized by a universal relationship between the spectrum of cumulative nucleons and the cross section of cumulative particles containing valence nuclear quarks. This relationship is tested for a deuteron. The role is discussed played by secondary nuclear processes for heavy nuclei. A special role of ''sea'' cumulative particles (K"-, p-bar) is pointed out in understanding the nature of the difference between the structure functions of a nucleus and of free nucleon.

Energy Technology Data Exchange (ETDEWEB)

3d occupation numbers of the transition elements corresponding to various types of atomic configurations are calculated by means of the linear muffin-tin orbital (LMTO) method. This data is used with the multiconfiguration Dirac-Fock (MCDF) X-ray intensity ratios to estimate the electron populations of the 3d metals in alloys.

Energy Technology Data Exchange (ETDEWEB)

Self-consistent electronic structure calculations have been performed on two compositions of scandium sulfide ScS and Sc/sub 3/S/sub 4/. The results of the calculation of ScS are similar to those obtained for other transition metal chalcogenides and are in excellent agreement with heat capacity and reflectance measurements as well as UPS experiments. The calculation of the defect structure indicates the creation of sulfur p nonbonding states in metal-deficient ScS. The valency of the metal ions remains unchanged upon the creation of vacancies.

International Nuclear Information System (INIS)

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

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 ...

Energy Technology Data Exchange (ETDEWEB)

We have performed polarized neutron diffraction measurements on the intermediate valence compound CePd{sub 3} using the D3 spectrometer at the ILL. The results show that at low temperatures, 1.7 K, as well as at 100 K, the field-induced magnetic amplitudes measured in a field of 4.6 T could be interpreted in terms of two contributions: a 4f-type contribution with a Ce{sup 3+} form factor, and an extra delocalized contribution (relatively narrow in q-extent). In particular, we find that the values of the 4f moment deduced from the extrapolation of the neutron data to Q=0 are systematically lower than the values deduced from bulk magnetization measurements performed on the same sample. This difference can be ascribed to a possible positive polarization of the conduction band which is similar at both temperatures.

International Nuclear Information System (INIS)

This report provides a summary of theoretical and experimental studies of actinide spectra in condensed phases. Much of the work was accomplished at Argonne National Laboratory, but references to related investigations by others are included. Spectroscopic studies of the trivlent actinides are emphasized, as is the use of energy level parameters, evaluated from experimental data, to investigate systematic trends in electronic structure and other properties. Some reference is made to correlations with atomic spectra, as well as with spectra of the (II), (IV), and higher valence states. 207 refs., 39 figs., 38 tabs.

UK PubMed Central (United Kingdom)

AbstractThe structural integrity of striated muscle is determined by extra-sarcomere cytoskeleton that includes structures that connect the Z-disks and M-bands of a sarcomere to sarcomeres...Full Text Available

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.

International Nuclear Information System (INIS)

The broad bands in the room-temperature excitation spectra of Sm"3"+-, Dy"3"+- and Tm"3"+-activated Ca-#alpha#-SiAlON phosphors are interpreted as the N"3"--to-rare earth charge transfer transition (CTT). From the energies of the charge transfer transitions and from the optical data presented for the Eu"2"+ ion, the location of the divalent rare earth ion energy levels relative to the valence and the conduction band of Ca-#alpha#-SiAlON is derived. The salient features of the energy-level diagram are shown to be practical in explaining the temperature-dependent variations of the Eu"2"+ and Yb"2"+ luminescence efficiency in Ca-#alpha#-SiAlON. A comparative study pertaining to the nature of the Yb"2"+ and Eu"2"+ ion luminescence in Ca-#alpha#-SiAlON and in SrSi_2O_2N_2 is presented. A tentative energy-level diagram of the trivalent rare earth ions in Ca-#alpha#-SiAlON is also constructed.

International Nuclear Information System (INIS)

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"oC. 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"-"1 (amide I), 1200-1300 cm"-"1 (amide III) and 550-1030 cm"-"1 (side chain amino groups) regions. The radiation-sensitive groups as identified from Raman spectra in the region 550-1030 cm"-"1 are tyrosines ...

CERN Document Server

A new constraint of clustering for the AMD calculation is proposed. This new constraint gives us large improvement in studying the cluster structure by AMD which sometimes meets difficulty in giving rise to some specific cluster configurations. The usefulness of this new constraint is verified by applying it to the the study of the third $K^\\pi = 0^+$ band of $^{20}$Ne which has been discussed to have $2\\alpha$-$^{12}$C structure. This band has not been easy even to construct by AMD. We see that the AMD+GCM calculation by the use of the new constraint gives rise to the third $K^\\pi = 0^+$ band which contains the $2\\alpha$-$^{12}$C structure as an important component.

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.

Energy Technology Data Exchange (ETDEWEB)

The isomeric and {beta}-decay properties of neutron-rich {sup 53-57}Sc and {sup 53,54}Ca nuclei near neutron number N = 32 are reported, and the low-energy level schemes of {sup 53,54,56}Sc and {sup 53-57}Ti are presented. The low-energy level structures of the {sub 21}Sc isotopes are discussed in terms of the coupling of the valence 1f{sub 7/2} proton to states in the corresponding {sub 20}Ca cores. Implications with respect to the robustness of the N = 32 subshell closure are discussed, as well as the repercussions for a possible N = 34 subshell closure.

International Nuclear Information System (INIS)

The isomeric and ?-decay properties of neutron-rich 53-57Sc and 53,54Ca nuclei near neutron number N=32 are reported, and the low-energy level schemes of 53,54,56Sc and 53-57Ti are presented. The low-energy level structures of the 21Sc isotopes are discussed in terms of the coupling of the valence 1f7/2 proton to states in the corresponding 20Ca cores. Implications with respect to the robustness of the N=32 subshell closure are discussed, as well as the repercussions for a possible N=34 subshell closure.

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.

British Library Electronic Table of Contents (United Kingdom)

We present a comparative study on the acoustic tunneling through artificial periodical composites, from phononic crystals to acoustic metamaterials. We find that the features of the acoustic tunneling are closely related with the origins of band gaps. In particular, the band gap associated with the negative effective material parameter in the metamaterial results in a better analog of the tunneling effect to the quantum system.

International Nuclear Information System (INIS)

The magnetic susceptibility and high-field magnetization have been measured for the intermediate valence system Eu(Pd_1_-_xPt_x)_2Si_2 with 0#<=#x#<=#0.15. A first-order valence transition is observed for all the compounds under high field of 100 T at low temperatures. This valence transition is of first order accompanied with a large hysteresis, which is in contrast to a continuous valence change against temperature. Based on the interconfigurational fluctuation (ICF) model, the temperature- and field-induced valence transitions are discussed. It is found that a first-order valence transition can be induced by magnetic field, even if the system shows a continuous valence transition against temperature. Metamagnetic behavior at finite temperatures is also understood qualitatively by the ICF model. copyright 1997 The American Physical ...

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 ...

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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.

International Nuclear Information System (INIS)

Accurate full-potential self-consistent linearized augmented-plane-wave (FLAPW) calculations have been carried out for hexagonal boron nitride. The resulting energy-band structure indicates that this material is an indirect-gap insulator and shows the existence of two unoccupied interlayer bands, similar to those found in graphite and graphite intercalation compounds. Chemical bonding is mainly covalent, with a small charge transfer towards the nitrogen atoms. Moreover, model-potential calculations, based on first-principles FLAPW wave functions and potentials, have been used to study slabs of thickness up to 35 layers. Contrary to the case of graphite, our results do not provide evidence of surface states associated with the interlayer bands.

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.

Energy Technology Data Exchange (ETDEWEB)

The sharp, temperature induced, continuous valence transition in EuPd/sub 2/Si/sub 2/ is drastically changed by doping with Sn at the Si site up to 5 at.%. Only a first order valence transition occurs for a 3% Sn doped sample and the 2/sup +/ component which survives the valence transition orders magnetically at 4.2 K. No valence transition at all occurs for a 5% Sn doped sample right up to 1.9 K and magnetic ordering sets in around 30 K.

Energy Technology Data Exchange (ETDEWEB)

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 bars. We then combine ...

Energy Technology Data Exchange (ETDEWEB)

The pressure dependence of the photoluminescence (PL) transition associated with the fundamental band gap of ZnO nanowires has been studied at pressures up to 15 GPa. ZnO nanowires are found to have a higher structural phase transition pressure around 12 GPa as compared to 9.0 GPa for bulk ZnO. The pressure-induced energy shift of the near band-edge luminescence emission yields a linear pressure coefficient of 29.6 meV/GPa with a small sublinear term of -0.43 meV/GPa{sup 2}. An effective hydrostatic deformation potential -3.97 eV for the direct band gap of the ZnO nanowires is derived from the result.

International Nuclear Information System (INIS)

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

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)

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.

Science.gov (United States)

The neutron-rich Mn isotopes from A=59 to 63 have been studied through multi-nucleon transfer reactions by bombarding a {sup 238}U target with a beam of {sup 70}Zn at an energy of E{sub lab}=460 MeV. Prompt {gamma} rays measured by the CLARA array have been identified unambiguously for each nucleus, using coincidence relationships with ions detected in the high-acceptance magnetic spectrometer PRISMA. The new data extends the knowledge of the low-lying level structure of Mn isotopes, which is discussed in terms of the systematics of the region. Results are compared with large-scale shell-model calculations using different effective interactions and valence spaces.

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 isostructural #gamma#-#alpha# phase transition of Ce which occurs at 8 kbar has been studied by means of fully self-consistent (non-muffin-tin potential) linearized-augmented-plane-wave energy band calculations carried out for five different values of the lattice constant. In contradiction to the 4f electron promotional model of the transition, the results yield essentially one 4f electron to be occupied in each phase but with the 4f wave function somewhat less localized, and therefore more bandlike, in the ''collapsed'' #alpha# phase. A singly occupied 4f state is shown to be consistent with the available experimental data. These results strongly support the picture of a 4f localized bold-arrow-left-right itinerant transition at the #gamma#-#alpha# transition and conflict with the promotional model in which some fraction of 4f electrons are transferred to the sd conduction bands. The weaker bonding of the 4f electrons, compared to that of ...

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As the only non-polar plane the (110) surface has a unique role in GaAs. Together with Silicon as a dopant it is an important substrate orientation for the growth of n-type or p-type heterostructures. As a consequence, this thesis will concentrate on growth and research on that surface. In the course of this work we were able to realize two-dimensional electron systems with the highest mobilities reported so far on this orientation. Therefore, we review the necessary growth conditions and the accompanying molecular process. The two-dimensional electron systems allowed the study of a new, intriguing transport anisotropy not explained by current theory. Moreover, we were the first growing a two-dimensional hole gas on (110) GaAs with Si as dopant. For this purpose we invented a new growth modulation technique necessary to retrieve high mobility systems. In addition, we discovered and studied the metal-insulator transition in thin bulk p-type layers on (110) GaAs. Besides we investigated ...

International Nuclear Information System (INIS)

The projector augmented-wave (PAW) method was developed by Bloechl as a method to accurately and efficiently calculate the electronic structure of materials within the framework of density-functional theory. It contains the numerical advantages of pseudopotential calculations while retaining the physics of all-electron calculations, including the correct nodal behavior of the valence-electron wave functions and the ability to include upper core states in addition to valence states in the self-consistent iterations. It uses many of the same ideas developed by Vanderbilt in his open-quotes soft pseudopotentialclose quotes formalism and in earlier work by Bloechl in his open-quotes generalized separable potentials,close quotes and has been successfully demonstrated for several interesting materials. We have developed a version of the PAW formalism for general use in structural and dynamical studies of ...

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 magnetic susceptibility and high-field magnetization have been measured for the intermediate valence system Eu(Pd{sub 1{minus}x}Pt{sub x}){sub 2}Si{sub 2} with 0{le}x{le}0.15. A first-order valence transition is observed for all the compounds under high field of 100 T at low temperatures. This valence transition is of first order accompanied with a large hysteresis, which is in contrast to a continuous valence change against temperature. Based on the interconfigurational fluctuation (ICF) model, the temperature- and field-induced valence transitions are discussed. It is found that a first-order valence transition can be induced by magnetic field, even if the system shows a continuous valence transition against temperature. Metamagnetic behavior at finite temperatures is also understood qualitatively by the ICF model. {copyright} {ital ...

International Nuclear Information System (INIS)

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

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 ...

Energy Technology Data Exchange (ETDEWEB)

We report the results of neutron-diffraction experiments on CeM/sub 2/Si/sub 2/ (M = Ag,Au,Pd,Rh) which were performed to explore the role of valence fluctuations and 4f hybridization in the magnetic ordering of cerium compounds. All four order antiferromagnetically, the first three exhibiting structures consisting of ferromagnetic layers with moments perpendicular to the layers, which are believed to be characteristic of 4f-4f interactions mediated through hybridization with conduction electrons. CePd/sub 2/Si/sub 2/ has an anomalously small moment (0.62..mu../sub B/) in the ordered state. CeAg/sub 2/Si/sub 2/ exhibits an incommensurate longitudinal, static magnetization wave with moment and propagation direction along the a axis. The fourth compound, CeRh/sub 2/Si/sub 2/, has the highest known transition temperature (39 K) reported for cerium ordering; it exhibits another second-order transition at 27 K to a complex commensurate ...

Science.gov (United States)

Based on our cryogenic FT-IR spectroscopic studies of hydrogen bonds in cholic acid, the two-dimensional FT-IR spectroscopy was applied to enhance our understanding of the hydrogen bonds. Fine spectral structures were revealed by asynchronous 2D FT-IR spectra. The co-relationship among various bands was discussed according to the synchronous 2D FT-IR spectra. .

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.

International Nuclear Information System (INIS)

The self-consistent relativistic linearized-augmented-plane-wave method is applied to local-density calculation of electronic structure of TmS. It is found that thulium monosulphide is a compound with a trivalent state of thulium. The influence of spin-orbital interaction is shown for different symmetry states of electrons. Calculated densities of states are used for the estimation of the electron-phonon coupling constant. And in conclusion it is shown that TmS is a high temperature Kondo-like system. (author).

Energy Technology Data Exchange (ETDEWEB)

Ultraviolet photoelectron spectra were measured for vanadyl phthalocyanine (VOPc) ultrathin films prepared on graphite to study effects of the molecular orientation and the electric dipole layer on the organic electronic states. VOPc has a permanent electric dipole perpendicular to the molecular plane, hence a well-defined electric dipole layer could be intentionally prepared by using the oriented monolayer. The observed binding-energy difference of the highest occupied molecular orbital (HOMO) bands between the oriented monolayer and the double layer was found to agree with the vacuum level shift, leading to a conclusion that the molecular energy level with respect to the substrate Fermi level is changed when the molecule is in the electric dipole layer.

British Library Electronic Table of Contents (United Kingdom)

We investigate two routes to obtain negative group velocity bands in two-dimensional phononic crystal structures. The negative dispersion originates from the resonances of sub-wavelength building blocks and as such, the system should be regarded as acoustic metamaterials. The first kind of acoustic metamaterial exhibits effectively negative bulk modulus and negative mass density simultaneously. Monopolar and dipolar Mie resonances are combined to achieve an effective medium with negative refractive index. In particular, we present a double negative metamaterial for airborne sonic waves. We then show that we can obtain negative group velocity from quadrupole resonances, and the result is explained using the quasi-static approximation. The negative dispersion in quadrupole bands cannot be de...

International Nuclear Information System (INIS)

The band crossing in "1"3"2Ba has been investigated by using the interacting boson model. A broken neutron pair has been coupled to a collective boson core. The boson-fermion interaction hamiltonian contains terms which can transform a boson into a pair of quasiparticles and vice versa. The parameters were partly determined by fitting the collective states of "1"3"2","1"3"4Ba and the yrast states of "1"3"1Ba. The energy backbending has been satisfactorily reproduced. Good agreement of the electromagnetic moments has been reached. The structure of the wave functions has been discussed. (author)

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We present the recent results of our research on the high power ultra-fast silicon RF switches. This switch is composed of a group of PIN diodes on a high purity silicon wafer. The wafer is inserted into a cylindrical waveguide under TE{sub 01} mode, performing switching by injecting carriers into the bulk silicon. Our current design uses a CMOS compatible process and the device was fabricated at SNF (Stanford Nanofabrication Facility). 300 ns switching time has been observed, while the switching speed can be improved further with 3-D device structure and faster driving circuit. Power handling capacity of the switch is at the level of 10 MW. The switch was designed for active X-band RF pulse compression systems--especially for NLC, but it is also possible to be modified for other applications and other frequencies.

International Nuclear Information System (INIS)

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 1999 The American Physical Society

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A new study on the pressure-induced phase transitions of TiO_2 has been performed using all-electron density-functional theory based computations with the projector augmented wave and the linearized augmented plane wave methods considering five experimentally observed structures. The static results yield a picture that is consistent with experiments, i.e., phase transitions with pressure are predicted as rutile #-># monoclinic baddeleyite (MI) #-># orthorhombic I (OI) #-># cotunnite (OII) on compression, and OII #-># OI #-># MI #-># columbite (TiO_2II) on decompression. The elasticities of these five polymorphs are compared. Except for the baddeleyite structure, which is considerably softer than the other polymorphs, all phases show a zero pressure bulk modulus in the range of 200-240 GPa, consistent with compression results and the single crystal elastic constant; on the basis of these results we can say that the cotunnite ...

DEFF Research Database (Denmark)

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

International Nuclear Information System (INIS)

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.

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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.)

CERN Document Server

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

International Nuclear Information System (INIS)

The Schroedinger equation for nuclear quadruple surface vibrations is linearized with the consequence that a new spin degree of freedom appears in the wave function of the linearized equation. This spin is called collective spin and has a value of 3/2. The linearized Schroedinger equation for quadrupole vibrations is used for the description of certain collective aspects of even-odd "1"8"7","1"8"9","1"9"1Ir nuclei which have a spin 3/2 in their ground state. As a potential we use the #gamma#-soft collective potential of the neighboring even-even nuclei, which is inserted into the linearized Schroedinger equation via a scalar coupling. This leads to a collective spin-dependent fine structure splitting of the energy levels governed by a collective SO(5) spin-orbit coupling and a correction to the kinetic energy. Further, we consider explicitly spin-dependent potentials which effectively describe the interaction of the valence nucleon with the ...

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

The decay of molybdenum-101 has been investigated using the three-parameter (#gamma#-#gamma#-t) coincidence system of HPGe-HPGe detectors. According to the off-line analysis, the decay scheme was modified. The positions of 221.80, 318.00, 377.90; 452.50, 515.42, 1011.05, and 1759.72 keV transitions have been arranged again, the transition positions of 104.70, 105.95, and 774.15 keV gamma rays have been assigned for the first time, the positions of 169.00, 590.91, 980.52, and 1431.68 keV transitions have been reconfirmed, and the 1508.01 keV gamma ray was observed simultaneously for the first time and its transition position has been assigned. The #beta#"- intensities and the values of log ft of most levels were calculated. Combining with the high-spin states observed by the in-beam #gamma#-ray spectroscopy of previous decay works, the structure of the excited positive/negative-parity yrast states of "1"0"1Tc is discussed using a projected shell model, and a ...

International Nuclear Information System (INIS)

Interest to thin film of metals' silicides first of all is conditioned intrinsic al them unique physical properties. On their basis of it is possible to produce extremely sophisticated devices of solid-state electronics, production which needs the controlled change of physics, chemical and electrical properties with high-level of accuracy. On the present time most are in detail investigated composition, structure and properties of three-dimensional samples of metals' silicides. In the last years the intensive are led to researches in the direction of creation and study of physical-chemical properties thin (500-1000 Angstroms) and ultrafine (100-120 Angstroms) films silicides. It has information about composition, morphology of surface and emission of properties of thin film of silicides of barium, of cobalt and of palladium, was obtained in conditions of ultra-high vacuum. Low energy ion implantation and further annealing on composition, electronic and crystalline ...

International Nuclear Information System (INIS)

Intraionic spin-orbit--split multiplet levels have been observed by electronic Raman scattering in the intermediate-valence compound EuPd_2Si_2. From the temperature dependence of the Raman peak positions and widths the interconfigurational excitation energy E/sub x/ and an upper limit of the interconfigurational mixing width T/sub f/, respectively, have been obtained. This is the first spectroscopic support for the underlying assumptions of the ionic interconfigurational fluctuation model that has been proposed to describe intermediate valence.

British Library Electronic Table of Contents (United Kingdom)

The light-emitting properties of cubic silicon carbide films grown by vacuum vapor phase epitaxy on Si(100) and Si(111) substrates under conditions of decreased growth temperatures (T gr ? 900?700?C) have been discussed. Structural investigations have revealed a nanocrystalline structure and, simultaneously, a homogeneity of the phase composition of the grown 3C-SiC films. Photoluminescence spectra of these structures under excitation of the electronic subsystem by a helium-cadmium laser (?excit = 325 nm) are characterized by a rather intense luminescence band with the maximum shifted toward the ultraviolet (?3 eV) region of the spectral range. It has been found that the integral curve of photoluminescence at low temperatures of measurements is split into a set of Lorentzian components. Th...

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 ...

International Nuclear Information System (INIS)

... low temperature moessbauer effect palladium silicides thulium silicides thulium

International Nuclear Information System (INIS)

The valence and spin-state distributions of Co ions and the complex structure of antiferromagnetic Ba_2Co_9O_1_4 have led to the suggestion that doped Ba_2Co_9O_1_4 compounds may be good thermoelectric materials. We have checked this suggestion by measuring the magnetic properties as well as the transport properties of nominal Ba_1_._9A_0_._1Co_9O_1_4 (A=La or Na). We show that although all compounds are indicated to be single phase by powder X-ray diffraction analysis, they are all p-type polaronic conductors with low mobile-hole concentrations. Magnetic-susceptibility data of the parent and La-doped compounds give evidence of a second magnetic phase with ferromagnetic order setting in below 215 K; but this second phase is not seen in the Na-doped sample. We conclude that the structure is stabilized by oxidation and that cation exolution from the Ba_2Co_9O_1_4 structure creates cation vacancies that ...

British Library Electronic Table of Contents (United Kingdom)

The nanostructure Ni-doped CdO films have been prepared by sol gel spin coating method. Atomic force microscopy results indicate that the CdO films are formed from the nanoparticles and the grain size is changed with nickel content. X-ray diffraction patterns of the films indicate that the undoped and Ni-doped CdO films have polycrystalline structure with a cubic sodium chloride structure, showing two main characteristic peaks assigned to the (111) and (200) planes. The optical band gap values of undoped and Ni-doped CdO films were determined by optical absorption method. The Eg values of the CdO films were found to be in the range of 2.26?2.60?eV. The Eg values of the CdO films increase with the content of Ni dopant (up to 6% Ni). It is evaluated that the optical band gap and grain size o...

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 ...

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

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, ...

International Nuclear Information System (INIS)

The ternary stannides RE_3Ru_4Sn_1_3 (RE = La, Ce, Pr, Nd) were obtained by arc-melting of the elements. The polycrystalline samples were characterized by powder X-ray diffraction. The structures of three compounds were refined from single-crystal diffractometer data: Yb_3Rh_4Sn_1_3 type, Pm anti 3n, a = 977.74(3) pm, wR2 = 0.0379, 280 F"2 values for La_3Ru_4Sn_1_3, a = 971.34(9) pm, wR2 = 0.0333, 274 F"2 values for Ce_3Ru_4Sn_1_3, a = 970.68(8) pm, wR2 = 0.0262, 272 F"2 values for Nd_3Ru_4Sn_1_3 with 13 variables per refinement. The structures consist of three-dimensional networks of condensed RuSn_6_/_2 trigonal prisms with the RE (CN 16) and Sn2 (CN 12) atoms in two different types of cavities of the networks. The two crystallographically independent tin sites have been resolved by "1"1"9Sn Moessbauer spectroscopy. Temperature-dependent magnetic susceptibility measurements of Ce_3Ru_4Sn_1_3 gave a reduced magnetic moment of 2.32 ?_B per Ce ...

International Nuclear Information System (INIS)

We report on solid solution CePd_2_-_xMn_xSi_2 which shows an interesting transition of the Ce-ion from magnetism in a Kondo regime to an intermediate valence state coupled with a strongly magnetic 3d sublattice. ((orig.)).

International Nuclear Information System (INIS)

Our studies on K#beta#/K#alpha# X-ray intensity ratios of some of the technologically important 3d-transition metal compounds have been reviewed. Comparison of the experimental results with single-configuration Dirac-Fock calculations provided important information on the valence states of the transition metals in various compounds, which can be helpful in understanding the nature of bonding in the compounds. (author)

International Nuclear Information System (INIS)

The synthesis, crystal structure, thermal stability and absorbance spectra of perovskite-type oxynitrides with the general formula SrTi1-xNbx(O,N)3 (x=0.05, 0.10, 0.20, 0.50, 0.80, 0.90, 0.95) have been investigated. Oxide samples were prepared by a polymerized complex synthesis route and post-treated under ammonia at 850 oC for 24 h to substitute nitrogen for oxygen. Synchrotron X-ray powder diffraction (XRD) evidenced that the mixed oxide phases were all transformed into oxynitrides with perovskite-type structure during a thermal ammonolysis. SrTi1-xNbx(O,N)3 with compositions x?0.80 crystallized in a cubic and samples with x?0.90 in a tetragonal structure. The Rietveld refinement indicated a continuous enlargement of the lattice parameters towards higher niobium content of the samples. Thermogravimetric analysis (TGA) and hotgas extraction revealed the dependence of the nitrogen incorporation upon the degree of niobium ...

International Nuclear Information System (INIS)

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

Energy Technology Data Exchange (ETDEWEB)

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{sup 2 +} on tetrahedral sites.

Energy Technology Data Exchange (ETDEWEB)

The growth and properties of Si{sub 1{minus}y}C{sub y} and Si{sub 1{minus}x{minus}y}Ge{sub x}C{sub y} alloys pseudomorphically strained on Si(001) will be reviewed. Although the bulk solubility of carbon in silicon is small, epitaxial layers with more than 1 at.% C can be fabricated. The relation between substitutional and interstitial carbon incorporation will be presented. Substitutionally incorporated C atoms allow strain manipulation, including the growth of strain-free or inversely strained Si{sub 1{minus}x{minus}y}Ge{sub x}C{sub y} layers. The mechanical properties, microscopic structure, thermal stability, as well as the influence of C atoms on band structure will be discussed.

British Library Electronic Table of Contents (United Kingdom)

A concentric reducer tube, which was a part of the top exit roughing hydraulic descaler in a hot strip mill failed prematurely under working pressure. A detailed metallurgical investigation comprising physical examination, optical microscopy, scanning electron microscopy, and electron probe microanalysis was carried out to find out the genesis of the failure. Physical examination revealed cracks located symmetrically around the circumference of the tube that ran along its full length, up to the weld beads at both ends. Optical microscopy of etched samples revealed a banded ferrite-pearlite structure and the existence of forging folds near the change-in-section(160? fillets). Cracks were found to initiate from these forging folds. No structural abnormalities were found in the weld beads and...

Energy Technology Data Exchange (ETDEWEB)

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 Cr{sub 2}O{sub 3} and FeCr{sub 2}O{sub 4} below the flat band potential of nickel oxide and were NiFe{sub 2}O{sub 4} above this potential. Electronic structure models, describing the electrochemical properties of the passive films, are proposed and discussed.

Energy Technology Data Exchange (ETDEWEB)

Spiral orbit tribometry friction tests performed on Ni-rich Ni55Ti45 titanium ball bearings indicate that this alloy is a promising candidate for future aerospace bearing applications. Microstructural characterization of the bearing specimens was performed using transmission electron microscopy and energy dispersive spectroscopy, with NiTi, Ni4Ti3, Ni3Ti, and Ni2Ti4Ox phases identified within the microstructure of the alloy. Density functional theory was applied to predict the electronic structure of the NixTiy phases, including the band structure and site projected density of states. Ultraviolet photoemission spectroscopy was used to verify the density of states results from the density functional theory calculations, with good agreement observed between experiment and theory.

International Nuclear Information System (INIS)

The [402]5/2 bands in "1"7"7Ta which are ''identical'' to the neighboring even-even "1"7"6Hf 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_1_3_/_2 neutron alignment. The lower observed crossing frequency for the [402]5/2 bands indicates a lower deformation for these bands compared to "1"7"6Hf. Extensions to the h_9_/_2 [541]1/2 yrast band are also reported. (orig.).

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 ...

Energy Technology Data Exchange (ETDEWEB)

Using the transfer matrix method we calculate the omni-directional band gap of a 1-D photonic crystal consisting of alternating layers of two dielectric materials A and B with refractive index n{sub A} and n{sub B}, respectively. The refractive index of layer A is constant and the refractive index of layer B varies according to the envelope of a Gaussian function. We find that under certain circumstances it is possible to obtain 100% reflectivity for both polarizations and any value of the incident angle of the electromagnetic waves. Although the structure considered does not posses a higher omni-directional band gap than the periodic sequence of low and high constant refractive indexes, it can be used to produce a new type of omni-directional mirrors without abrupt interfaces. (copyright 2007 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

International Nuclear Information System (INIS)

Local-density-functional calculations of the energy bands, equilibrium lattice constant, bulk modulus, and cohesive energy have been performed using a newly developed self-consistent full-potential linearized augmented-plane-wave (LAPW) program. Scalar-relativistic effects are included for the band states, and the core-level states are treated fully relativistically in a central-field approximation. Excellent agreement is obtained with the experimental lattice constant and bulk modulus. Generally good agreement is obtained with the scalar-relativistic pseudopotential results of Bylander and Kleinman. In this context, the impact of various approximations used in including the core states is assessed, and these findings are related to the frozen-core and pseudopotential approximations, especially with regard to the treatment of the somewhat overlapping 5p semicore states and their effect on ground-state properties. Comparison with the recent LAPW ...

Energy Technology Data Exchange (ETDEWEB)

We used light confinement in optical microcavities to achieve a strong enhancement and a precise wavelength tunability of the electrical photoconductance of nanostructured porous silicon (PS). The devices consist of a periodic array of alternating PS layers, electrochemically etched to have high and low porosities - and therefore distinct dielectric functions. A central layer having a doubled thickness breaks up the symmetry of the one-dimensional photonic structure, producing a resonance in the photonic band gap that is clearly observed in the reflectance spectrum. The devices were transferred to a glass coated with a transparent SnO{sub 2} electrode, while an Al contact was evaporated on its back side. The electrical conductance was measured as a function of the photon energy. A strong enhancement of the conductance is obtained in a narrow (17nm FWHM) band peaking at the resonance. We present experimental results of the ...

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 ...

International Nuclear Information System (INIS)

In this study, WO3 thin films were grown on glass substrates using an aqueous solution containing tungstate (NH4)2WO4 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 Ts = 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(?) and reflectance R(?) spectra in 300-1800 nm domain. The ...

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 ...

Energy Technology Data Exchange (ETDEWEB)

Neutron capture ..gamma..-ray spectra have been measured at 11 average neutron energies from 10 to 530 keV in /sup 88/Sr using a 20 x 15 cm NaI detector with time-of-flight discrimination of background events. The partial radiation widths and the calculated partial valence widths are compared for the strong p-wave resonances at 287 and 321 keV and found to be highly correlated. At these energies, the spectra are dominated by strong transitions to low-lying single particle states, in confirmation of the role of valence capture in the 3p region. However, the data do not support this mechanism at <508> keV.

Science.gov (United States)

The advanced technologies of Ka-Band systems such as high gain spot .... sometimes used based on link requirements for a specific application. .... received at NASA LeRC from a Ku-band satellite and retransmitted to the USAT at Ka-Band. .... and to the Office of Management and Budget, Paperwork Reduction Project ...

International Nuclear Information System (INIS)

Tris(8-quinolinolato)aluminum(III) (Alq3) shows electronic absorption bands at 378, 360 (in a 1:1 mixed solvent of methanol and ethanol (ME) at 77 K), 334, 316, 300, 263, 255.8, and 233 nm in ethanol at room temperature. According to the polarized fluorescence excitation spectrum together with MO calculations, for instance, the 360 nm band is assigned to an LL CT transition (an intramolecular charge transfer transition between two ligands), and the 378 nm band to an LM/ML CT one (an intramolecular charge transfer transition between ligand and metal). Alq3 shows a broad fluorescence band peaking at around 478 nm in the ME matrix at 77 K. The emission spectrum measured with a phosphoroscope has two emission bands at 567 and 478 nm. The 567 nm band accompanies vibronic bands at 578 and 605 nm, being safely assigned to a phosphorescence of Alq3. ...

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 ...

International Nuclear Information System (INIS)

The neutron capture cross sections of the stable molybdenum isotopes have been measured with high energy resolution (#DELTA#E/E < approximately 0.2%), between 3 and 90 keV neutron energy, at the 40 m station of ORELA. Average resonance parameters are extracted for s- and p-wave resonances. The s-wave neutron strength function is close to 0.5x10"-"4 for all isotopes, but the p-wave strength function exhibits a well defined peak near A approximately 95. Both s- and p-wave radiative widths decrease markedly as further neutrons are added to the closed shell. The p-wave radiative widths are generally greater than the s-wave widths showing the presence of non-statistical #gamma#-decay mechanisms. Valence neutron theory fails to explain the magnitude of the p- to s-wave radiative width disparity and doorway state processes are invoked. In particular, the data for "9"8Mo appear to violate the usual valence theory, since the correlations between ...

International Nuclear Information System (INIS)

Eu-#alpha#-SiAlON (Eu_m_/_2Si_1_2_-_m_-_nAl_m_+_nO_nN_1_6_-_n) was synthesized with nominal compositions having small m and n values, by firing the powder mixture of Eu_2Si_5N_8, #alpha#-Si_3N_4, AlN, and Al_2O_3 at 1900 "oC for 6 h under 1 MPa nitrogen atmosphere. The ratio of the oxidation state of Eu"2"+/Eu"3"+ was estimated from the X-ray absorption fine structure (XAFS) measurement. The observed X-ray absorption near edge spectrum (XANES) showed that the Eu ion in Eu-#alpha#-SiAlON was mainly in divalent state but also coexisted with a small amount of Eu in the trivalent state. The crystal structure of Eu-#alpha#-SiAlON was refined by the Rietveld analysis of the X-ray powder diffraction patterns. The lattice constants of the samples increased with increasing m and n values. The excitation band of Eu-#alpha#-SiAlON ranged from the ultraviolet to the visible light region and a broad emission band ...

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 ...

Science.gov (United States)

Space Network Ku-band service. ... Completed GLAST mission schedule and budget assessment .... Utilize Ku band SN link (TDRSS) for science data return ...

Energy Technology Data Exchange (ETDEWEB)

A micellar method has been used to prepare silver-coated cobalt (Co-Ag) nanoparticles. The synthesized particles have been deeply characterized by several methods, i.e., XRD, UV-Vis, TEM, XPS, and electrochemical techniques. There is every indication that the obtained particles show a truly core-shell structure. All the nanoparticles obtained under different conditions are in the size range 3-5 nm. High-resolution TEM (HRTEM), Fast Fourier Transformation (FFT), and Selected Area Electron Diffraction (SAED) indicated that the presence of hcp-Co and fcc-Ag, in which cobalt is located in the central area; meanwhile silver is at the edges of the nanoparticle. The absorption band of the Co-Ag colloid shifts to a longer wavelength and broadens relative to that of pure silver colloid. Voltammetric characterization allowed to determine the coverage of the cobalt core.

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.

CERN Document Server

We present mid-infrared spectro-imagery and high-resolution spectroscopy ofthe Orion bar and of a region in the Orion nebula. These observations have beenobtained in the Guaranteed Time with the Circular Variable Filters of the ISOcamera (CAM-CVF) and with the Short Wavelength Spectrometer (SWS), on board theEuropean Infrared Space Observatory (ISO). Our data shows emission fromamorphous silicate grains from the entire HII region and around the isolatedO9.5V star Theta2 Ori A. The observed spectra can be reproduced by a mixture ofinterstellar silicate and carbon grains heated by the radiation of the hotstars present in the region. Crystalline silicates are also observed in theOrion nebula and suspected around Theta2 Ori A. They are probably ofinterstellar origin. The ionization structure and the distribution of thecarriers of the Aromatic Infrared Bands (AIBs) are briefly discussed on thebasis of the ISO observations.

Science.gov (United States)

Homogenous Al{sub x}Ga{sub 1{minus}x}P liquid phase epitaxial layers have been obtained with the temperature difference method under controlled vapor pressure (TDM-CVP). Very clear fine structures near band edge in photoluminescence spectra have been observed at 77 K for the first time. Photoluminescence measurement results confirmed that the free exciton recombination without phonon assistance plays an important role in the luminescence at 77 K and becomes dominant at room temperature. It is considered that Zero-phonon assisted free exciton recombination is intensified by some local perturbations to electrical potentials against carriers or excitons introduced by Al atoms in Al{sub x}Ga{sub 1{minus}x}P layers, which can give momentum change necessary for recombination.

International Nuclear Information System (INIS)

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 ...

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.

International Nuclear Information System (INIS)

Pulsed radiolysis method is used to study transformations intermediates of 6-aminophenalenone in ethanol. In alkaline medium the main product is radical-anion of 6-aminophenalenone, which optical absorption spectrum contains two bands with maxima at 355 and 400 nm. The particle precursors are e_s, CH_3CHOH and CH_3CHO"- radicals. In neutral and acid medium radical-anions are protonated in reactions with alcohol and hydrogen ions. The resulting H-adduct of 6-aminophenalenone has optical absorption maxima at 350 and 390 nm. Availability of two maxima is related to two various product structures. Molar extinction coefficients of radical-anions and H-adducts of 6-aminophenalenone and rate constants of reactions with their participation are estimated.

International Nuclear Information System (INIS)

GaInP solar cell interfaces were characterized by admittance spectroscopy. Admittance spectroscopy is shown to be sensitive to the band structure at the heterojunction interfaces. In particular, a correlation between activation energy of the capacitance step in a capacitance versus temperature plot and effective potential barrier for majority carriers is demonstrated, indicating a new method for the determination of potential barriers at heterointerfaces. Using this technique, the effective potential barrier for holes at the p-Al_0_._5_3In_0_._4_7P/p-GaAs interface is found to be equal to 0.6 eV. Effects of interface defects and spreading resistance in the emitter of solar cells are illustrated and discussed.

International Nuclear Information System (INIS)

A theoretical study of electron and positron band structures of zinc-blende AlN and InN and their alloy Al_0_._5In_0_._5N is presented using the first-principles full-potential linearized augmented plane-wave method. Equilibrium lattices constants are determined from the total-energy minimization method. The results are compared with previous calculations and with experimental measurement. Electron and positron charge densities are computed as function of position in the unit cell. Detailed plots of distributions are along the direction. The ionicity factors are calculated by means of three different approaches. The calculated results of the positron charge density reflect the high insight for the annihilation effect.

International Nuclear Information System (INIS)

Molecular cluster predictions for electronic energy levels, wave functions, momentum densities, and Compton profiles of VO and VO_2 are examined within the Hartree-Fock-Slater model. VO_6 clusters are treated in O/subh/, D_4/subh/, and D_2/subh/ symmetry to obtain quantitative relations between distortion parameters and level shifts and splittings. Effects of the crystal environment are taken into account by a potential field. Results for VO are consistent with the augmented plane-wave band calculation of Mattheiss and x-ray emission data; the VO_2 levels are in good agreement with x-ray photoelectron spectroscopy data. A sizable anisotropy is predicted for the Compton profile of VO and VO_2.

Energy Technology Data Exchange (ETDEWEB)

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.

British Library Electronic Table of Contents (United Kingdom)

In the present study the optical properties of co-evaporated indium sulfide thin films are investigated. Before being optically characterized, the composition as well as the crystalline properties of the film have been checked with the help of energy dispersive spectroscopy (EDX) and X-Ray diffraction (XRD) analyses. The optical absorption coefficient ? of this indium sulfide film has been deduced from reflectivity R(?) and transmission T(?) measurements. The fit of the curve representing ?(h?) suggests that the ?-In2S3 has an indirect bandgap of 2.01?eV. Density functional theory (DFT) calculations are performed on this indium sulfide compound, using TB-LMTO code. Through these band structure investigations, an indirect bandgap is predicted as observed experimentally. The top of the valen...

Energy Technology Data Exchange (ETDEWEB)

The potentiodynamic polarization measurement of 254SMO stainless steel (UNS 31254) was conducted in 3.5% NaCl solutions with pH ranging from 0.1 to 5. The results indicated that this stainless steel offered excellent pitting corrosion resistance in corrosive environments. Further, it also exhibited various features on the polarization curves in different pH solutions. The electrochemical constant-potential passivation treatment performed at different pH followed by XPS analysis revealed that the primary constituents of the outermost layer of the passive films formed in the weak (pH 5) and strong (pH 0.8) acid solutions are iron oxides and Cr{sub 2}O{sub 3} and Cr(OH){sub 3}, respectively. Molybdenum oxides, primarily in the six-valence state, existed in the outermost layer of the passive film. Only very weak signals corresponding to that of nickel oxides were detected in the film formed in the weak acid (pH 5) solution. The ICP-MS analyses indicated selective ...

Science.gov (United States)

Neutron resonance interactions with /sup 100/Mo were studied at a time-of-flight facility. The transmission of two oxide samples (97.4% /sup 100/Mo) was measured at a 78.20 m flight path and the neutron capture cross section was measured at 40.12 m. Resonance analyses yielded parameters of 124 resonances. Capture ..gamma..-ray spectra from 11 resolved resonances were measured with a Ge(Li) detector at a 10.45 m flight path. In contrast to neighboring nuclei, partial radiation widths of strong p-wave resonances are not in agreement with valence model predictions.

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)

Doping of manganese (Mn3+/Mn4+) into the Aurivillius phase Pb1-xBi4+xTi4-xMnxO15 was carried out using the molten salt technique for various Mn concentrations (x=0, 0.2, 0.4, 0.6, 0.8, and 1). Single phase samples could be obtained in the composition range with x up to 0.6 as confirmed by X-ray and neutron diffraction analysis. Dielectric measurements show a peak at 801, 803, 813 and 850 K for samples with x=0, 0.2, 0.4, and 0.6, respectively, related to the ferroelectric transition temperature (Tc). The main contribution of the in-plane polarization for x?0.2 which was calculated from the atomic positions obtained by the structure analysis is the dipole moment in the Ti(1)O6 layer; however, for x?0.4 the polarization originates from the dipole moment in the Ti(2)O6 layer. Mn doping in the Pb1-xBi4+xTi4-xMnxO15 does not show any long range magnetic ordering. -- Graphical abstract: The dipole moment of TiO6 dependence of x in Pb1-xBi4+xTi4-xMnxO15 (0?x?0.6): (a) ...

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)

Electrodeposition of semiconducting iron oxide (Fe_2O_3) thin film was carried out from an alkaline sulphate bath. A 0.1 M ferrous sulphate (FeSO_4#centre dot#7H_2O) was complexed with 0.1 M citric acid. By addition of 1 N NaOH, pH of the solution was made alkaline (pH=9) and deposition of iron oxide (Fe_2O_3) thin films was carried out potentiostatically at room temperature (300 K). From cyclic voltametry (CV), electrochemical studies were carried out for deposition of iron oxide thin films. The XRD studies reveal that Fe_2O_3 with epsilon (#epsilon#) phase having monoclinic crystal structure is formed. By observing scanning electron microscope (SEM), it is seen that iron oxide films were homogeneous, uniform and well covered to surface of the substrate. Grain size was found to be in nanometers range from XRD analysis. The optical band gap of Fe_2O_3 thin film was estimated to be 1.90 eV. Electrical resistivity was order of 10"4 #OMEGA# cm. ...

CERN Document Server

Context. We present a multi-wavelength, high-resolution observational survey of the young binary system Haro 6-10 (GV Tau, IRAS 04263+2426), which is harbouring one of the few known infrared companions. Aims. The primary goal of this project is to determine the physical and geometrical properties of the circumstellar and circumbinary material in the Haro 6-10 system. Methods. High-resolution optical (HST/WFPC2) and near-infrared (VLT/NACO) images in different bands were analysed to investigate the large-scale structures of the material around the binary.Mid-infrared interferometry (VLTI/MIDI) and spectroscopy (TIMMI2 at the 3.6m ESO telescope) were carried out to determine the structure and optical depth of the circumstellar material around the individual components. Results. The multi-wavelength observations suggest that both components of the binary system Haro 6-10 are embedded in a common envelope. The measured ...

International Nuclear Information System (INIS)

A tri-functional polyhedral oligomeric silsesquioxane (POSS) based silane precursor R_xR_yR_z(SiO_3_/_2)_n (x + y + z = n = 6, 8, 10, ...) bearing 3-(N-(3-triethoxysilylpropyl)ureido)propyl, isooctyl and perfluoropropyl groups was synthesized and investigated as corrosion protective coating for AA 2024 alloy. Infrared reflection-absorption (IR RA) combined with X-ray photoelectron spectroscopy and atomic force microscopy provided information about partial self-assembling of coatings having a fluorine enriched upper layer with a low surface energy (#gamma#"t"o"t = 12.37 mN/m). The structural changes that accompanied corrosion produced under chronocoulometrical conditions were assessed from ex-situ IR RA spectra. A new band at 1690-1700 cm"-"1 appeared above the corrosion potential, and was assigned to the formation of amidonium ions and consequent relaxation of urea-urea associations.

Energy Technology Data Exchange (ETDEWEB)

(12/11)CASSCF and (12/11)CASPT2 ab initio electronic structure calculations with both the cc-pVDZ and cc-pVTZ basis sets find that there is a barrier to the very exothermic hydrogen shift that converts singlet methylnitrene, CH{sub 3}N, to methyleneimine, H{sub 2}C{double{underscore}bond}NH. These two energy minima are connected by a transition structure of C{sub s} symmetry, which is computed to lie 3.8 kcal/mol above the reactant at the (12/11)CASPT2/cc-pVTZ//(12/11)CASSCF/cc-pVTZ level of theory. The (12/11)CASSCF/cc-pVTZ value for the lowest frequency vibration in the transition structure is 854 cm{sup {minus}1}, and CASPT2 calculations concur that this a{double{underscore}prime} vibration does indeed have a positive force constant. Thus, there is no evidence that this geometry is actually a mountain top, rather than a transition structure, on the global potential energy surface or that a C{sub 1} ...

Energy Technology Data Exchange (ETDEWEB)

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

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In the framework of the search for a ceramic material usable in the radioactive waste storage, uranium and thorium phosphates have been investigated. Their experimental synthesis conditions have been entirely reviewed, they lead to the preparation of four new compounds: U(UO{sub 2})(PO{sub 4}){sub 2}, U{sub 2}O(PO{sub 4}){sub 2}, UCIPO{sub 4}, 4H{sub 2}O, and Th{sub 4}(PO{sub 4}){sub 4}P{sub 2}O{sub 7}. Experimental evidenced are advanced for non existent compounds such as: U{sub 3}(PO{sub 4}){sub 4}, U{sub 2}O{sub 3}P{sub 2}O{sub 7} and Th{sub 3} (PO{sub 4}){sub 4}. Characterization by several techniques (X-rays and neutron powder diffractions, UV-Visible and Infra-red spectroscopies, XPS,...) were performed. The ab initio structure determination of U(UO{sub 2})(PO{sub 4}){sub 2} has been achieved by X-rays and refined by neutron diffractions. Through its physico-chemical analysis, we found that this compound was a new mixed valence uranium ...

Science.gov (United States)

The spread spectrum acquisition and tracking performance for the Shuttle S-band and Ku-band communication links are analyzed and compared to test results. The S-band link requirements are more severe than those of the Ku-band links, hence, different despreader designs were developed for the two systems. The S-band despreader acquires pseudonoise code lock by examining all possible code phases in half chip steps while the Ku-band despreader acquires pseudonoise code lock by continuously sweeping a tau-jitter loop. Both despreaders employ a tau-jitter loop for code tracking. The code tracking performance is computed for the tau-jitter loop and compared to that of the more complex delay lock loop.

Energy Technology Data Exchange (ETDEWEB)

The use of platinum(II) complexes as tags and probes for biomolecules is indeed advantageous for their reactivities can be selective for certain purposes through an interplay of mild reaction conditions and of the ligands bound to the platinum. The use of {sup 195}Pt NMR as a method of detecting platinum and its interactions with biomolecules was carried out with the simplest model of platinum(II) tagging to proteins. Variable-temperature {sup 195}Pt NMR spectroscopy proved useful in studying the stereodynamics of complex thioethers like methionine. The complex, Pt(trpy)Cl{sup +}, with its chromophore has a greater potential for probing proteins. It is a noninvasive and selective tag for histidine and cysteine residues on the surface of cytochrome c at pH 5. The protein derivatives obtained are separable, and the tags are easily quantitated and differentiated through the metal-to-ligand charge transfer bands which are sensitive to the environment of the tag. ...

Energy Technology Data Exchange (ETDEWEB)

This work is a theoretical investigation on the physical properties of semiconductor-based two-dimensional photonic crystals, in particular for what concerns systems embedded in planar dielectric waveguides (GaAs/AlGaAs, GaInAsP/InP heterostructures, and self-standing membranes) or based on macro-porous silicon. The photonic-band structure of photonic crystals and photonic-crystal slabs is numerically computed and the associated light-line problem is discussed, which points to the issue of intrinsic out-of-lane diffraction losses for the photonic bands lying above the light line. The photonic states are then classified by the group theory formalism: each mode is related to an irreducible representation of the corresponding small point group. The optical properties are investigated by means of the scattering matrix method, which numerically implements a variable-angle-reflectance experiment; comparison with experiments is ...

International Nuclear Information System (INIS)

The structural transition and anomalous properties of the high temperature A-15 superconductors have been investigated from two different standpoints. The first is a Landau theory based on Gorkov's physical model of a Peierls-like charge density wave (CDW) transition involving electronic CDW order parameters coupled to phonon coordinates. Pretransition elastic anomalies, softening of the [1 anti 10] transverse ([1 anti 10] polarized) phonon, sublattice distortions, variation of transition temperature with stress and alloying and other effects have been accurately predicted, and a detailed comparison is made with experimental results. Central peaks in neutron scattering are shown to be non-dynamic in nature and no pretransition forbidden (300) reflection is predicted. The GAMMA_1_2 optic mode does not go soft at the transition, though its frequency is expected to be temperature dependent right up to room temperature. A tight binding, two (3-D) ...

Energy Technology Data Exchange (ETDEWEB)

Anionic complexes of transition metals were stabilized in aqueous solutions containing high concentrations of various short-chain quaternary ammonium salts. Compounds with longer paraffin chains were effective in much less concentrated solution. Complex ions were detected spectrophotometrically. FeCl/sub 4//sup -/, which is usually formed in concentrated HCl, was the predominant Fe(III) complex in 30 m choline chloride containing only 0.12 M HCl. A yellow transitory Tc(VII) chloro-addition intermediate, formed in the reduction of TcO/sub 4//sup -/ by concentrated HCl, was stabilized when the solution also contained 25 m choline chloride. Its spectrum, as well as the isolation of an already known Tc(VII) bipyridyl complex, is reported. Concentrated organic electrolytes also stabilized Tc(V) oxide halides against disproportionation and Tc(IV) hexahalides against hydrolysis. Halochromates of Cr(VI) were formed and stabilized in dilute acid containing quaternary ammonium salts. Their UV ...

International Nuclear Information System (INIS)

Neutron resonance interactions with "1"0"0Mo were studied at a time-of-flight facility. The transmission of two oxide samples (97.4% "1"0"0Mo) was measured at a 78.20 m flight path and the neutron capture cross section was measured at 40.12 m. Resonance analyses yielded parameters of 124 resonances. Capture #gamma#-ray spectra from 11 resolved resonances were measured with a Ge(Li) detector at a 10.45 m flight path. In contrast to neighboring nuclei, partial radiation widths of strong p-wave resonances are not in agreement with valence model predictions.

International Nuclear Information System (INIS)

The intermediate valent behaviour of YbPd_2Si_2 has been studied under pressure in the temperature range from 1.2 K to 90 K by using the 84 keV Moessbauer transition in "1"7"0Yb. At 54 kbar and 4.2 K we obtain an increase of the electric field gradient (EFG) by a factor of #approx =# 3. In addition, the EFG varies strongly with temperature, in contrast to the behaviour at ambient pressure. At 1.2 K a change of the hyperfine pattern is observed indicating a magnetic character of the Yb ion. These results provide evidence of a pressure induced change of the valence state close to 3+. (orig.).

Energy Technology Data Exchange (ETDEWEB)

Lithium isotope separation by displacement chromatography is studied using fundamental principles; the equations are derived assuming theoretical stages in lithium adsorption bands. The concentration profiles in the band are calculated numerically under unsteady state.

Science.gov (United States)

... to-noise density than the uplink budget has (74.2 ... in heav:, point-to-point link applications with ... 11.7 Expanded bands allocated (Ku band) (500 MHz ...

British Library Electronic Table of Contents (United Kingdom)

The pentenary compound semiconductor Cu(In,Ga)(Se,S)2 is one of the most attractive materials for high-efficiency solar cells due to its tunable band gap to match well the solar spectrum. In this study, semiconducting Cu(In,Ga)(Se,S)2 thin films were prepared by a classical two-step growth process, which involves the selenization and/or sulfurization of In/Cu?Ga precursor. During the precursor formation step metallic In/Cu?Ga alloys were deposited onto the Mo-coated soda-lime glass substrates by DC magnetron sputter process. The respective precursors were subsequently reacted with H2Se and/or H2S gasses, at elevated temperatures. By optimizing the selenization parameters, such as the gas concentrations, reaction time, reaction temperature, and the flow of H2Se and H2S, high quality, single...

British Library Electronic Table of Contents (United Kingdom)

Abstract P/2004 A1 (LONEOS) is one of the few active objects in the dynamical class of Centaurs. It has been recently injected into an inner orbit with a perihelion distance-q-= 5.5 au. The aim of this paper is to characterize the dust coma of this peculiar object, 2.5 yr after its first -new- perihelion passage inside the Solar system. Broad-band visible images taken at the TNG telescope in 2007 February were analysed in order to characterize the dust coma of the Centaur: it was still quite active at-rh-= 6.5 au post-perihelion, with a coma and a well-developed wide tail-like structure, with a measured-R-Af= 162 10-cm in an aperture radius = 104 km. The (V---R) colour and the reddening values depict a scenario of a slightly red dust coma. A dust mass-loss rate of--= 133 kg-s-1 is derived ...

Energy Technology Data Exchange (ETDEWEB)

The Sloan Digital Sky Survey (SDSS) started a new phase in August 2008, with new instrumentation and new surveys focused on Galactic structure and chemical evolution, measurements of the baryon oscillation feature in the clustering of galaxies and the quasar Ly{alpha} forest, and a radial velocity search for planets around {approx}8000 stars. This paper describes the first data release of SDSS-III (and the eighth counting from the beginning of the SDSS). The release includes 5-band imaging of roughly 5200 deg{sup 2} in the Southern Galactic Cap, bringing the total footprint of the SDSS imaging to 14,555 deg{sup 2}, or over a third of the Celestial Sphere. All the imaging data have been reprocessed with an improved sky-subtraction algorithm and a final, self-consistent recalibration and flat-field determination. This release also includes all data from the second phase of the Sloan Extension for Galactic Understanding and Evolution (SEGUE-2), ...

International Nuclear Information System (INIS)

The millimeter microwave source of gyrotron-traveling-wave amplifier (gyro-TWT) is capable of generating high power coherent radiation in a broad bandwidth, while its performance is severely deteriorated by the stability problems. This paper focuses on modeling and the stability analysis of the Naval Research Laboratory (NRL) Ka-band TE01 mode gyro-TWT based on an interaction circuit alternately loaded with lossy ceramic shells and metal rings. The propagation characteristics of the interaction circuit is analyzed first, based on which the boundary impedance method is employed to build an equivalent uniform lossy circuit. Then the stability of the interaction system is studied using linear and nonlinear theories. The analysis reveals that, due to the special waveguide structure and the dielectric loss, the propagation characteristics of the complex waveguide are similar to that of a uniform lossy circuit. The analysis of the absolute ...

Energy Technology Data Exchange (ETDEWEB)

New oxomolybdenum(V) complexes MoOClL (where LH/sub 2/ = Schiff base) derived from ethanolamine and salicylaldehyde, 5-chlorosalicylaldehyde, 5-bromosalicylaldehyde, 5-nitrosalicylaldehyde, 3-ethoxysalicylaldehyde and 2-hydroxy-1-naphthaldehyde have been synthesized and characterised by elemental analyses, conductance, molecular weight, I.R. and electronic spectra and magnetic measurements. The Schiff bases behave as dibasic tridentate ONO donor ligands. The complexes are non-electrolytes and dimers. The complexes exhibit subnormal magnetic moments and are involved in antiferromagnetic exchange with S = 0 ground state. The complexes exhibit electronic spectral bands at ca. 13000 and ca. 17000 cm/sup -1/ due to the transitions dsub(xy)- > dsub(xz,yz) (/sup 2/B/sub 2/- > /sup 2/E) and dsub(xy)- > dsub(x2-y2) (/sup 2/B/sub 2/- > /sup 2/B/sub 1/), respectively. The ..nu..(Mo = O) frequency of the complexes is observed in the 900-970 cm/sup -1/ region. On ...

International Nuclear Information System (INIS)

The nuclear structure of A #propor to# 100 nuclei has been studied in the frame of this thesis with a recently developed #beta# - #gamma# - #gamma# triple coincidence fast timing technique and different models such as shell model, hydrodynamic model, Nilsson and particle-rotor models. This technique which allows the measurement of the level lifetimes in the ps range has been applied at JOSEF at the research reactor DIDO of KFA Juelich in studes of the short-lived neutron-rich nuclei in the A #approx =# 100 region. Lifetimes of level in "9"6,"9"8,"1"0"0 ZR, "9"9,"1"0"1-"1"0"4 Nb, "1"0"0-"1"0"5 Mo have been measured, which are in many cases completely new, and otherwise more precise than previously published data. From the lifetimes of the members of rotational bands, the size of the nuclear deformations has been deduced. (orig./HSI).

CERN Document Server

We search for an infrared signature of the transiting extrasolar planet HD 209458b during secondary eclipse. Our method, which we call `occultation spectroscopy,' searches for the disappearance and reappearance of weak spectral features due to the exoplanet as it passes behind the star and later reappears. We argue that at the longest infrared wavelengths, this technique becomes preferable to conventional `transit spectroscopy'. We observed the system in the wing of the strong nu-3 band of methane near 3.6 microns during two secondary eclipses, using the VLT/ISAAC spectrometer at a spectral resolution of 3300. Our analysis, which utilizes a model template spectrum, achieves sufficient precision to expect detection of the spectral structure predicted by an irradiated, low-opacity (cloudless), low-albedo, thermochemical equilibrium model for the exoplanet atmosphere. However, our observations show no evidence for the presence of this spectrum ...

International Nuclear Information System (INIS)

The structural, morphological and optical properties of vacuum-evaporated CdTe thin films were investigated as a function of substrate temperature and post-deposition annealing without and with CdCl2/treatment at 400 C for 30 min. Diffraction patterns are almost the same exhibiting higher preferential orientation corresponding to (111) plane of the cubic phase. The intensity of the (111) peak increased with the CdCl2/annealing treatment. The microstructure observed for all films following the CdCl2/annealing treatment are granular, regardless of the as-deposited microstructure. The grain sizes are increased after the CdCl2/annealing treatment but now contain voids around the grain boundaries. The optical band gaps, Eg, were found to be 1.50, 1.50 and 1.48 eV for films deposited at 200 K and annealed without and with CdCl2/treatment at 400 C for 30 min respectively. A progressive sharpening of the absorption edge upon heat treatment particularly ...

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.

Energy Technology Data Exchange (ETDEWEB)

This paper introduces an indirect adaptive fuzzy controller as a power system stabilizer used to damp inter-area modes of oscillation following disturbances in power systems. Compared to the IEEE standard multi-band power system stabilizer (MB-PSS), indirect adaptive fuzzy-based stabilizers are more efficient because they can cope with oscillations at different operating points. A nominal model of the power system is identified on-line using a variable structure identifier. A feedback linearization-based control law is implemented using the identified model. The gains of the controller are tuned via a particle swarm optimization routine to ensure system stability and minimum sum of the squares of the speed deviations. A bench-mark problem of a 4-machine 2-area power system is used to demonstrate the performance of the proposed controller and to show its superiority over other conventional stabilizers used in the literature. (author)

Energy Technology Data Exchange (ETDEWEB)

A phenomenological simulation was carried out for 41 experimental crystal-field (CF) levels within the {sup 4}I{sub 9/2-15/2}, {sup 4}F{sub 3/2-9/2}, {sup 4}S{sub 3/2} and {sup 2}H{sub 9/2} J manifolds, including the available infrared (IR) data up to {approx}15 000 cm{sup -1} for the Nd{sup 3+} ions in the Nd{sub 2}CuO{sub 4} single crystals. The CF Hamiltonian for the tetragonal C{sub 4v} symmetry was diagonalized together with the free-ion Hamiltonian in a basis that spans the entire 4f{sup 3} configuration. A rms error of 9 cm{sup -1} between the calculated and experimental energy level schemes was obtained. A comparison of the spectra in the visible region between the insulating Nd{sub 2}CuO{sub 4} and the metallic Nd{sub 2-x}Ce{sub x}CuO{sub 4}, allowed identifying the absorption bands associated with the development of the charge-doping induced local structural distortions in the superconducting regime.

International Nuclear Information System (INIS)

M-type hexagonal ferrite composition, Ba(1-x)SrxFe12O19 (x=0.0, 0.2, 0.4, 0.6, 0.8 and 1.0), was prepared by a two route ceramic method. Complex permittivity (?'-j?'') and complex permeability (?'-j?'') have been measured using a network analyzer from 8.2 to 12.4 GHz X-ray diffraction confirmed the M-type hexagonal structure and a scanned electron micrograph was used to analyze the grain size distribution of ferrite. Substitution of Sr2+ ions causes an increase in porosity that deteriorates the electromagnetic and microstructural properties in the doped samples. Both dielectric constant and dielectric loss are enhanced in comparison to the permeability and magnetic loss over the entire frequency region. This is due to a resistivity variation and the formation of Fe2+ ions, which increases the hopping mechanism between Fe2+ and Fe3+ ions.

International Nuclear Information System (INIS)

It has recently been found that many buildings in Taiwan were constructed with radioactively contaminated rebar, which raised great concern among the residents as well as governmental officials. In order to investigate the possible cytogenetic damage to the residents of contaminated buildings, a G-banding method was carried out on the lymphocytes of 30 radiation-exposed individuals from four families and one office building, as well as 15 control individuals from laboratory personnel. The estimated cumulative radiation doses for the exposed people range from 19.63 to 280.50 mSv. Altogether, 13 females and 17 males belonging to the radiation-exposed group, and 7 females and 8 males in the control group, were included in this study. With the exception of one sample, at least 500 metaphase spreads were scored and analyzed for each individual. All the recognizable structural aberrations of chromosomes or chromatids were recorded and statistically ...

Energy Technology Data Exchange (ETDEWEB)

Lifetimes have been measured in the {pi}h{sub 9/2} (yrast) and {pi}i{sub 13/2} (excited) bands in the nuclei {sup 181}Ir and {sup 187}Au using the Recoil Distance Method (RDM). The results clearly indicate that the {pi}i{sub 13/2} band exhibits an increased deformation over the {pi}h{sub 9/2} band, in keeping with the premise that the delayed crossing in this band is due to enhanced quadrupole deformation. (author). 3 refs, 1 fig, 2 tab.

Energy Technology Data Exchange (ETDEWEB)

No abstract prepared.

Energy Technology Data Exchange (ETDEWEB)

Positron annihilation experiments on Fe-Cu model dilute alloys of nuclear reactor pressure vessel (RPV) steels have been performed after neutron irradiation in JMTR. Nanovoids whose inner surfaces were covered by Cu atoms were clearly observed. The nanovoids transformed to ultrafine Cu precipitates by dissociating their vacancies after annealing at around 400degC. The nanovoids and the ultrafine Cu precipitates are strongly suggested to be responsible for irradiation-induced embrittlement of RPV steels. Effects of Ni, Mn and P addition on the nanovoid and Cu precipitate formations were also studied. The nanovoid formation was enhanced by Ni and P, but suppressed by Mn. The Cu precipitates after annealing around 400degC were almost free from these doping elements and hence were pure Cu in the chemical composition. Furthermore the Fermi surface of the 'embedded' Cu precipitates with a body centered cubic crystal structure was obtained from two ...

Energy Technology Data Exchange (ETDEWEB)

In situ scanning tunneling microscopy has been used to study the nucleation and growth mechanisms and the structure of passive films formed on Cu(111) surfaces in 0.1 M borate buffer solution (pH 9.3). A surface topography characterized by terraces with monoatomic steps is obtained after potentiodynamic reduction down to {minus}1.12 V/standard hydrogen electrode (SHE), of the electropolished surface exposed to air. The formation of a single Cu{sub 2}O passive layer at 0.03 V/SHE proceeds first by a roughening of the steps assigned to a locally blocked step flow process due to a competition between dissolution and preferential nucleation of the oxide at the steps. The observed oxide nuclei are 2--3 nm wide and about one atomic plane high. This process leads to the complete coverage of the terraces by a grain-like structure of the oxide film. The initial terrace topography is completely altered. Thickening of this oxide layer leads to unstable ...