Collective excitation spectra of transitional even nuclei

International Nuclear Information System (INIS)

Quentin, P.; Paris-11 Univ., 91 - Orsay; Deloncle, I.; Libert, J.; Sauvage, J.

1990-01-01

This talk is dealing with the nuclear low energy collective motion as described in the context of microscopic versions of the Bohr Hamiltonian. Two different ways of building microscopically Bohr collective Hamiltonians will be sketched; one within the framework of the Generator Coordinate Method, the other using the Adiabatic Time-Dependent Hartree-Fock-Boholyubov approximation. A sample of recent results will be presented which pertains to the description of transitional even nuclei and to the newly revisited phenomenon of superdeformation at low spin

Interplay between collective and single particle excitations around neutron-rich doubly-magic nuclei

Directory of Open Access Journals (Sweden)

Leoni S.

2016-01-01

Full Text Available The excitation spectra of nuclei with one or two particles outside a doubly-magic core are expected to be dominated, at low energy, by the couplings between phonon excitations of the core and valence particles. A survey of the experimental situation is given for some nuclei lying in close proximity of neutron-rich doubly-magic systems, such as 47,49Ca, 133Sb and 210Bi. Data are obtained with various types of reactions (multinucleon transfer with heavy ions, cold neutron capture and neutron induced fission of 235U and 241Pu targets, with the employment of complex detection systems based on HPGe arrays. A comparison with theoretical calculations is also presented, in terms of large shell model calculations and of a phenomenological particle-phonon model. In the case of 133Sb, a new microscopic “hybrid” model is introduced: it is based on the coupling between core excitations (both collective and non-collective of the doubly-magic core and the valence nucleon, using the Skyrme effective interaction in a consistent way.

Interplay between collective and single particle excitations around neutron-rich doubly-magic nuclei

Science.gov (United States)

Leoni, S.

2016-05-01

The excitation spectra of nuclei with one or two particles outside a doubly-magic core are expected to be dominated, at low energy, by the couplings between phonon excitations of the core and valence particles. A survey of the experimental situation is given for some nuclei lying in close proximity of neutron-rich doubly-magic systems, such as 47,49Ca, 133Sb and 210Bi. Data are obtained with various types of reactions (multinucleon transfer with heavy ions, cold neutron capture and neutron induced fission of 235U and 241Pu targets), with the employment of complex detection systems based on HPGe arrays. A comparison with theoretical calculations is also presented, in terms of large shell model calculations and of a phenomenological particle-phonon model. In the case of 133Sb, a new microscopic "hybrid" model is introduced: it is based on the coupling between core excitations (both collective and non-collective) of the doubly-magic core and the valence nucleon, using the Skyrme effective interaction in a consistent way.

Terahertz spectra revealing the collective excitation mode in charge-density-wave single crystal LuFe{sub 2}O{sub 4}

Energy Technology Data Exchange (ETDEWEB)

Liu, Xiumei; Jin, Zuanming; Lin, Xian; Ma, Guohong [Department of Physics, Shanghai University (China); Cheng, Zhenxiang [Institute for Superconducting and Electronic Materials, University of Wollongong, NSW (Australia); Balakrishnan, Geetha [Department of Physics, University of Warwick, Coventry (United Kingdom)

2017-09-15

A low-energy collective excitation mode in charge-ordered multiferroic LuFe{sub 2}O{sub 4} is reported via terahertz time-domain spectroscopy. Upon cooling from 300 to 40 K, the central resonance frequency showed a pronounced hardening from 0.85 to 1.15 THz. In analogy to the well-known low-energy optical properties of LuFe{sub 2}O{sub 4}, this emerging resonance was attributed to the charge-density-wave (CDW) collective excitations. By using the Drude-Lorentz model fitting, the CDW collective mode becomes increasingly damped with the increasing temperature. Furthermore, the kinks of the CDW collective mode at the magnetic transition temperature are analyzed, which indicate the coupling of spin order with electric polarization. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Classification of a Supersolid: Trial Wavefunctions, Symmetry Breakings and Excitation Spectra

Science.gov (United States)

Chen, Yu; Ye, Jinwu; Tian, Guangshan

2012-11-01

A state of matter is characterized by its symmetry breaking and elementary excitations. A supersolid is a state which breaks both translational symmetry and internal U(1) symmetry. Here, we review some past and recent works in phenomenological Ginsburg-Landau theories, ground state trial wavefunctions and microscopic numerical calculations. We also write down a new effective supersolid Hamiltonian on a lattice. The eigenstates of the Hamiltonian contains both the ground state wavefunction and all the excited states (supersolidon) wavefunctions. We contrast various kinds of supersolids in both continuous systems and on lattices, both condensed matter and cold atom systems. We provide additional new insights in studying their order parameters, symmetry breaking patterns, the excitation spectra and detection methods.

Modification of erbium photoluminescence excitation spectra for the emission wavelength 1.54 μm in mesoscopic structures

International Nuclear Information System (INIS)

Gaponenko, N.V.; Unuchak, D.M.; Mudryi, A.V.; Malyarevich, G.K.; Gusev, O.B.; Stepikhova, M.V.; Krasilnikova, L.V.; Stupak, A.P.; Kleshcheva, S.M.; Samoilovich, M.I.; Tsvetkov, M.Yu.

2006-01-01

Photoluminescence excitation (PLE) spectra for the emission wavelength 1.54 μm were studied for erbium-doped xerogels embedded in artificial opals and porous anodic alumina films. Opals were chosen with photonic stop-band in green spectral range, where excitation of 1.54 μm occurs most efficiently. In comparison to the structure erbium-doped titania xerogel/porous anodic alumina/silicon the photoluminescence excitation spectra for 1.54 μm emission wavelength significantly changes for the same xerogels embedded in artificial opals. Enhancement of erbium-related 1.54 μm emission was observed from the structure Fe 2 O 3 xerogel/porous anodic alumina fabricated on silicon, having some incompletely anodized aluminium, under excitation with either the lasing source at 532 nm or xenon lamp. Evident difference in PLE spectra for erbium doped TiO 2 and Fe 2 O 3 xerogels in porous anodic alumina is observed

Selective Coherent Excitation of Charged Density Waves

NARCIS (Netherlands)

Tsvetkov, A.A.; Sagar, D.M.; Loosdrecht, P.H.M. van; Marel, D. van der

2003-01-01

Real time femtosecond pump-probe spectroscopy is used to study collective and single particle excitations in the charge density wave state of the quasi-1D metal, blue bronze. Along with the previously observed collective amplitudon excitation, the spectra show several additional coherent features.

Interference spectra induced by a bichromatic field in the excited state of a three-level atom

International Nuclear Information System (INIS)

Mavroyannis, C.

1998-01-01

The interference spectra for the excited state of a three-level atom have been considered, where the strong and the weak atomic transitions leading to an electric dipole allowed excited state and to a metastable excited state are driven by resonant and nonresonant laser fields, respectively. In the low intensity limit of the strong laser field, there are two short lifetime excitations, the spontaneous one described by the weak signal field and the one induced by the strong laser field, both of which appear at the same frequency, and a long lifetime excitation induced by the weak laser field. The maximum intensities (heights) of the two peaks describing the short lifetime excitations take equal positive and negative values and, therefore, cancel each other out completely, while the long lifetime excitation dominates. This indicates the disappearance of the short lifetime excitations describing the strong atomic transition for a period equal to the lifetime of the long lifetime excitation, which is roughly equal to half of the lifetime of the metastable state. The computed spectra have been graphically presented and discussed at resonance and for finite detunings. (Copyright (c) 1998 Elsevier Science B.V., Amsterdam. All rights reserved.)

Collective excitations in semiconductor superlattices and plasma modes of a two-dimensional electron gas with spatially modulated charge density

International Nuclear Information System (INIS)

Eliasson, G.L.

1987-01-01

The theory of collective excitations in semiconductor superlattices is formulated by using linear response theory. Different kinds of collective excitations in type I (GaAs-GaAlAs) and type II (GaSb-InAs) superlattices are surveyed. Special attention is paid to the presence of surface and finite-size effects. In calculating the dielectric matrix, the effect of different approximations of the system is discussed. The theory for inelastic length scattering (Raman scattering), and for Electron Energy Loss (EEL) due to collective excitations, is formulated. Calculations for several model systems are presented and the main features of the spectra are discussed. In part II the theory of collective excitations of a two-dimensional electron gas with a spatially periodic equilibrium density is formulated. As a first example a periodic array of two-dimensional electron gas strips with constant equilibrium density is studied. The integral equation that describes the charge fluctuations on the strips is derived and solved numerically. The spatial dependence of the density fluctuation across a single strip can be in the form of either propagating or evanescent waves

Excitation spectra of an effective d-wave model for cuprate superconductivity

NARCIS (Netherlands)

Yamaguchi, M; Ohta, Y; Eder, R

An exact-diagonalization technique on finite-size clusters is used to study the ground states and some excitation spectra of the two-dimensional effective Fermi-liquid model derived from numerical studies of the t-J model. We show that there is actually a reasonable range of parameter values where

The photoluminescence spectra of micropowder of aromatic compounds under ultraviolet laser excitation

International Nuclear Information System (INIS)

Rakhmatullaev, I.A.; Kurbonov, A.K. et al.; Gorelik, V.S.

2016-01-01

The method of diagnostics of aromatic compounds on the example of novocaine, aspirin and anthracene is presented. The method is based on optical detection of photoluminescence spectra at ultraviolet laser (266 nm) excitation. Employing this method the photoluminescence spectra are obtained which allows one to establish the differences of the composition and structure of compounds. The developed method can be used for analysis the quality of the large class of luminescent bioactive structures under the ultraviolet radiation. (authors)

Excitation spectra and wave functions of quasiparticle bound states in bilayer Rashba superconductors

Energy Technology Data Exchange (ETDEWEB)

Higashi, Yoichi, E-mail: higashiyoichi@ms.osakafu-u.ac.jp [Department of Mathematical Sciences, Osaka Prefecture University, 1-1 Gakuen-cho, Naka-ku, Sakai 599-8531 (Japan); Nagai, Yuki [CCSE, Japan Atomic Energy Agency, 178-4-4, Wakashiba, Kashiwa, Chiba 277-0871 (Japan); Yoshida, Tomohiro [Graduate School of Science and Technology, Niigata University, Niigata 950-2181 (Japan); Kato, Masaru [Department of Mathematical Sciences, Osaka Prefecture University, 1-1 Gakuen-cho, Naka-ku, Sakai 599-8531 (Japan); Yanase, Youichi [Department of Physics, Niigata University, Niigata 950-2181 (Japan)

2015-11-15

Highlights: • We focus on the pair-density wave state in bilayer Rashba superconductors. • The zero energy Bogoliubov wave functions are localized at the edge and vortex core. • We investigate the excitation spectra of edge and vortex bound states. - Abstract: We study the excitation spectra and the wave functions of quasiparticle bound states at a vortex and an edge in bilayer Rashba superconductors under a magnetic field. In particular, we focus on the quasiparticle states at the zero energy in the pair-density wave state in a topologically non-trivial phase. We numerically demonstrate that the quasiparticle wave functions with zero energy are localized at both the edge and the vortex core if the magnetic field exceeds the critical value.

Modification of Optical Properties of Seawater Exposed to Oil Contaminants Based on Excitation-Emission Spectra

Science.gov (United States)

Baszanowska, E.; Otremba, Z.

2015-10-01

The optical behaviour of seawater exposed to a residual amount of oil pollution is presented and a comparison of the fluorescence spectra of oil dissolved in both n-hexane and seawater is discussed based on excitation-emission spectra. Crude oil extracted from the southern part of the Baltic Sea was used to characterise petroleum properties after contact with seawater. The wavelength-independent fluorescence maximum for natural seawater and seawater artificially polluted with oil were determined. Moreover, the specific excitation-emission peaks for natural seawater and polluted water were analysed to identify the natural organic matter composition. It was found that fluorescence spectra identification is a promising method to detect even an extremely low concentration of petroleum residues directly in the seawater. In addition, alien substances disturbing the fluorescence signatures of natural organic substances in a marine environment is also discussed.

Effects of excited state mixing on transient absorption spectra in dimers Application to photosynthetic light-harvesting complex II

CERN Document Server

Valkunas, L; Trinkunas, G; Müller, M G; Holzwarth, A R

1999-01-01

The excited state mixing effect is taken into account considering the difference spectra of dimers. Both the degenerate (homo) dimer as well as the nondegenerate (hetero) dimer are considered. Due to the higher excited state mixing with the two-exciton states in the homodimer, the excited state absorption (or the difference spectrum) can be strongly affected in comparison with the results obtained in the Heitler-London approximation. The difference spectrum of the heterodimer is influenced by two resonance effects (i) mixing of the ground state optical transitions of both monomers in the dimer and (ii) mixing of the excited state absorption of the excited monomer with the ground state optical transition in the nonexcited monomer. These effects have been tested by simulating the difference absorption spectra of the light-harvesting complex of photosystem II (LHC II) experimentally obtained with the 60 fs excitation pulses at zero delay times and various excitation wavelengths. The pairs of coupled chlorophylls...

Spectra of elementary excitations of fullerenes C60 and electron irradiation effect

International Nuclear Information System (INIS)

Gordeev, Yu.S.; Mikushkin, V.M.; Shnitov, V.V.

2000-01-01

The electron-stimulated changes in the spectra of the fullerenes C 60 elementary excitations are determined. They are manifested in decreasing the π-plasmon energy, the forbidden zone width, the HOMO-LUMO transition energy and also in smoothing the corresponding peculiarities of the spectra. The observed red shifts are connected with collectivization of the part of the π-electrons, formation of chemically-bound neighbouring molecules (polymerization) and with the corresponding increase in the part of the sp 3 -hybridized electrons. The spectra of the characteristic energy losses of the fullerene electrons, unperturbed by the polymerization process, are measured. The multipole structure of the (σ + π) plasmon and the exciton peculiarity, which manifests high sensitivity to the electron impact and may be used for the fullerene initial structure characterization, is identified [ru

Use of spectra from foil-excited heavy-ion beams to interpret radiation from plasmas

International Nuclear Information System (INIS)

Johnson, B.M.

1978-01-01

Spectra from foil-excited heavy ion beams can be used to investigate the relative abundance and charge state composition of heavy metal contaminants which cause severe radiative energy losses in tokamak-produced plasmas. The degree of ionization of these metals in the tokamak plasma is not well known because of uncertainties in ionization and recombination rates and particle confinement times. Only a few stages of ionization are typically prominent in foil-excited spectra, however, and both the most probable charge state and distribution width are well known. Highly ionized heavy ions (e.g., Ti, Mo, W and Au) which span the range of charge states found in present tokamaks were produced by passing beams from the Brookhaven MP tandem Van de Graaff accelerator facility through 20 μg/cm 2 carbon stripping foils. EUV radiation was recorded with a grazing incidence spectrometer. Comparisons of the beam-foil spectra with radiation from plasmas, and recent direct determinations of atomic oscillator strengths for principal resonance lines of such highly ionized species as Li-like iron (Fe 23+ ), Na-like bromine (Br 24+ ), and Cu-like iodine (I 24+ ) are discussed

Rotational Spectra in 29 Vibrationally Excited States of Interstellar Aminoacetonitrile

Energy Technology Data Exchange (ETDEWEB)

Kolesniková, L.; Alonso, E. R.; Mata, S.; Alonso, J. L. [Grupo de Espectroscopia Molecular (GEM), Edificio Quifima, Área de Química-Física, Laboratorios de Espectroscopia y Bioespectroscopia, Parque Científico UVa, Unidad Asociada CSIC, Universidad de Valladolid, E-47011 Valladolid (Spain)

2017-04-01

We report a detailed spectroscopic investigation of the interstellar aminoacetonitrile, a possible precursor molecule of glycine. Using a combination of Stark and frequency-modulation microwave and millimeter wave spectroscopies, we observed and analyzed the room-temperature rotational spectra of 29 excited states with energies up to 1000 cm{sup −1}. We also observed the {sup 13}C isotopologues in the ground vibrational state in natural abundance (1.1%). The extensive data set of more than 2000 new rotational transitions will support further identifications of aminoacetonitrile in the interstellar medium.

Excited state mass spectra of singly charmed baryons

Energy Technology Data Exchange (ETDEWEB)

Shah, Zalak; Kumar Rai, Ajay [Sardar Vallabhbhai National Institute of Technology, Department of Applied Physics, Surat, Gujarat (India); Thakkar, Kaushal [GIDC Degree Engineering College, Department of Applied Sciences and Humanities, Abrama (India); Vinodkumar, P.C. [Sardar Patel University, Department of Physics, V.V. Nagar (India)

2016-10-15

Mass spectra of excited states of the singly charmed baryons are calculated using the hypercentral description of the three-body system. The baryons consist of a charm quark and light quarks (u, d and s) are studied in the framework of QCD motivated constituent quark model. The form of the confinement potential is hyper-Coloumb plus power potential with potential index ν, varying from 0.5 to 2.0. The first-order correction to the confinement potential is also incorporated in this approach. The radial as well as orbital excited state masses of Σ{sub c}{sup ++}, Σ{sub c}{sup +}, Σ{sub c}{sup 0}, Ξ{sub c}{sup +}, Ξ{sub c}{sup 0}, Λ{sub c}{sup +}, Ω{sub c}{sup 0} baryons, are reported in this paper. We have incorporated spin-spin, spin-orbit and tensor interactions perturbatively in the present study. The semi-electronic decay of Ω{sub c} and Ξ{sub c} are also calculated using the spectroscopic parameters of these baryons. The computed results are compared with other theoretical predictions as well as with the available experimental observations. We also construct the Regge trajectory in (n{sub r},M{sup 2}) and (J,M{sup 2}) planes for these baryons. (orig.)

Optical properties of ion-implanted InP and GaAs: Selectivity-excited photoluminescence spectra

International Nuclear Information System (INIS)

Makita, Yunosuke; Yamada, Akimasa; Kimura, Shinji; Niki, Shigeru; Yoshinaga, Hiroshi; Matsumori, Tokue; Iida, Tsutomu; Uekusa, Ichiro

1993-01-01

Implantation of Mg+ ions was carried out into high purity InP grown by liquid encapsulated Czochralski method. Mg+ ion-implanted InP presented the formation of plural novel emissions with increasing Mg concentration, [Mg] in the low temperature photoluminescence spectra. Selectively-excited photoluminescence (SPL) measurements were made to examine the features of two-hole replicas pertinent to the emissions of excitons bound to neutral Mg and residual Zn acceptors. Systematic variation of the emission intensities from the two types of two-hole replicas was found to be utilized for the evaluation of ion-implanted materials. The significant discrepancy of emission spectra between PL and SPL was attributed to the difference of the depth examined by using the excitation light with high and low absorption coefficient. The results revealed that the diffusion of ion-implanted Mg is extremely enhanced when [Mg] exceeds 1x10 17 cm -3

Simulation of statistical γ-spectra of highly excited rare earth nuclei

International Nuclear Information System (INIS)

Schiller, A.; Munos, G.; Guttormsen, M.; Bergholt, L.; Melby, E.; Rekstad, J.; Siem, S.; Tveter, T.S.

1997-05-01

The statistical γ-spectra of highly excited even-even rare earth nuclei are simulated applying appropriate level density and strength function to a given nucleus. Hindrance effects due to K-conservation are taken into account. Simulations are compared to experimental data from the 163 Dy( 3 He,α) 162 Dy and 173 Yb( 3 He,α) 172 Yb reactions. The influence of the K quantum number at higher energies is discussed. 21 refs., 7 figs., 2 tabs

Excited-state lifetimes of far-infrared collective modes in proteins

NARCIS (Netherlands)

Xie, A.; van der Meer, L.; Austin, R. H.

2002-01-01

Vibrational excitations of low frequency collective modes are essential for functionally important conformational transitions in proteins. Here we report the first direct measurement on the lifetime of vibrational excitations of the collective modes at 87 pm (115 cm(-1)) in bacteriorhodopsin, a

Collective excitations in itinerant spiral magnets

International Nuclear Information System (INIS)

Kampf, A.P.

1996-01-01

We investigate the coupled charge and spin collective excitations in the spiral phases of the two-dimensional Hubbard model using a generalized random-phase approximation. Already for small doping the spin-wave excitations are strongly renormalized due to low-energy particle-hole excitations. Besides the three Goldstone modes of the spiral state the dynamical susceptibility reveals an extra zero mode for low doping and strong coupling values signaling an intrinsic instability of the homogeneous spiral state. In addition, near-zero modes are found in the vicinity of the spiral pitch wave number for out-of-plane spin fluctuations. Their origin is found to be the near degeneracy with staggered noncoplanar spiral states which, however, are not the lowest energy Hartree-Fock solutions among the homogeneous spiral states. copyright 1996 The American Physical Society

Picosecond transient absorption spectra of aminosalicylates in confirmation of the triple excitation mechanism

International Nuclear Information System (INIS)

Gormin, D.

1989-01-01

Using picosecond transient absorption studies, it is shown that the twisted intramolecular charge-transfer state (TICT) and the excited intramolecular proton-transfer state (ESIPT or PT) of specific aminosalicylates both contribute to the long-wavelength fluorescence band, F 2 , observed as an unresolved band to the red of the normal fluorescence band, F 1 . The transient absorption band for 2-hydroxy-4-(dimethylamino)benzoic acid methyl ester (PDASE) is shown to be a composite of the two excited-state absorption modes: S n double-prime(TICT) left-arrow S 1 double-prime (TICT) and S n '(PT)left-arrow S 1 '(PT). This corroborates previous steady-state fluorescence studies of the unresolved F 2 band. The assignments are based on comparison with the excited-state absorption spectra of various substituted aminosalicylates in polar and nonpolar solvents

Hong-Ou-Mandel Interference between Two Deterministic Collective Excitations in an Atomic Ensemble

Science.gov (United States)

Li, Jun; Zhou, Ming-Ti; Jing, Bo; Wang, Xu-Jie; Yang, Sheng-Jun; Jiang, Xiao; Mølmer, Klaus; Bao, Xiao-Hui; Pan, Jian-Wei

2016-10-01

We demonstrate deterministic generation of two distinct collective excitations in one atomic ensemble, and we realize the Hong-Ou-Mandel interference between them. Using Rydberg blockade we create single collective excitations in two different Zeeman levels, and we use stimulated Raman transitions to perform a beam-splitter operation between the excited atomic modes. By converting the atomic excitations into photons, the two-excitation interference is measured by photon coincidence detection with a visibility of 0.89(6). The Hong-Ou-Mandel interference witnesses an entangled NOON state of the collective atomic excitations, and we demonstrate its two times enhanced sensitivity to a magnetic field compared with a single excitation. Our work implements a minimal instance of boson sampling and paves the way for further multimode and multiexcitation studies with collective excitations of atomic ensembles.

Fluorescence, Absorption, and Excitation Spectra of Polycyclic Aromatic Hydrocarbons as a Tool for Quantitative Analysis

Science.gov (United States)

Rivera-Figueroa, A. M.; Ramazan, K. A.; Finlayson-Pitts, B. J.

2004-01-01

A quantitative and qualitative study of the interplay between absorption, fluorescence, and excitation spectra of pollutants called polycyclic aromatic hydrocarbons (PAHs) is conducted. The study of five PAH displays the correlation of the above-mentioned properties along with the associated molecular changes.

Collective excitations in deformed alkali metal clusters

International Nuclear Information System (INIS)

Lipparini, E.; Stringari, S.; Istituto Nazionale di Fisica Nucleare, Povo

1991-01-01

A theoretical study of collective excitations in deformed metal clusters is presented. Sum rules are used to study the splittings of the dipole surface plasma resonance originating from the cluster deformation. The vibrating potential model is developed and used to predict the occurrence of a low lying collective mode of orbital magnetic nature. (orig.)

Isobar excitations and low energy spectra of light nuclei

International Nuclear Information System (INIS)

Czerski, P.

1984-01-01

The aim of this investigation is to study the possible influence of inner excitations of nucleons into the Δ(3,3)-resonance on the low lying spectra of light nuclei like 12 C and 16 O. Before we can study the effect of such exotic configurations one has to perform a reliable investigation within the normal nuclear model, which is based on a microscopic theory. This is achieved by performing RPA (Random Phase Approximation) calculations using a realistic residual interaction derived from the Brueckner G-matrix. An efficient parametrisation of the residual interaction is introduced and the reliability of the more phenomenological parametrisations which are generally used is discussed. Within such realistic calculations, the isobar effects are small. (orig.) [de

Major and minor music compared to excited and subdued speech.

Science.gov (United States)

Bowling, Daniel L; Gill, Kamraan; Choi, Jonathan D; Prinz, Joseph; Purves, Dale

2010-01-01

The affective impact of music arises from a variety of factors, including intensity, tempo, rhythm, and tonal relationships. The emotional coloring evoked by intensity, tempo, and rhythm appears to arise from association with the characteristics of human behavior in the corresponding condition; however, how and why particular tonal relationships in music convey distinct emotional effects are not clear. The hypothesis examined here is that major and minor tone collections elicit different affective reactions because their spectra are similar to the spectra of voiced speech uttered in different emotional states. To evaluate this possibility the spectra of the intervals that distinguish major and minor music were compared to the spectra of voiced segments in excited and subdued speech using fundamental frequency and frequency ratios as measures. Consistent with the hypothesis, the spectra of major intervals are more similar to spectra found in excited speech, whereas the spectra of particular minor intervals are more similar to the spectra of subdued speech. These results suggest that the characteristic affective impact of major and minor tone collections arises from associations routinely made between particular musical intervals and voiced speech.

Quadrupole collective excitations in rapidly rotating nuclej

International Nuclear Information System (INIS)

Mikhajlov, I.N.

1983-01-01

The spectrum of collective quadrupole excitations in nuclei is investigated. The average nucleus field has the axial symmetry and rotation occurs relatively to this axis. Dependences of the spectrum of quadrupole oscillations on rotation rate for classic liquid drop (CLD) and for a drop of fermi-liquid (DFL) with fissionability parameter X=0.62 ( 154 Er) are presented. The dependence of probabilities of E2-transitions between single-phonon and phonon-free states on rotation rate for CLD and DFL with fussionability parameter X=0.62 ( 154 Er) is also presented. It is shown that for CLD collective E2-transition of states of yrast-consequence is absolutely forbidden. For DFL transitions are possible that lead to decay of phonon-free state with the excitation of phonons of γ-modes and decrease of angular momentum

Simultaneous measurement of quantum yield ratio and absorption ratio between acceptor and donor by linearly unmixing excitation-emission spectra.

Science.gov (United States)

Zhang, C; Lin, F; DU, M; Qu, W; Mai, Z; Qu, J; Chen, T

2018-02-13

Quantum yield ratio (Q A /Q D ) and absorption ratio (K A /K D ) in all excitation wavelengths used between acceptor and donor are indispensable to quantitative fluorescence resonance energy transfer (FRET) measurement based on linearly unmixing excitation-emission spectra (ExEm-spFRET). We here describe an approach to simultaneously measure Q A /Q D and K A /K D values by linearly unmixing the excitation-emission spectra of at least two different donor-acceptor tandem constructs with unknown FRET efficiency. To measure the Q A /Q D and K A /K D values of Venus (V) to Cerulean (C), we used a wide-field fluorescence microscope to image living HepG2 cells separately expressing each of four different C-V tandem constructs at different emission wavelengths with 435 nm and 470 nm excitation respectively to obtain the corresponding excitation-emission spectrum (S DA ). Every S DA was linearly unmixed into the contributions (weights) of three excitation-emission spectra of donor (W D ) and acceptor (W A ) as well as donor-acceptor sensitisation (W S ). Plot of W S /W D versus W A /W D for the four C-V plasmids from at least 40 cells indicated a linear relationship with 1.865 of absolute intercept (Q A /Q D ) and 0.273 of the reciprocal of slope (K A /K D ), which was validated by quantitative FRET measurements adopting 1.865 of Q A /Q D and 0.273 of K A /K D for C32V, C5V, CVC and VCV constructs respectively in living HepG2 cells. © 2018 The Authors Journal of Microscopy © 2018 Royal Microscopical Society.

Effects of the ohmic current on collective scattering spectra

International Nuclear Information System (INIS)

Castiglioni, S.; Lontano, M.; Tartari, U.

1993-01-01

A numerical and analytical study of the modifications induced in the collective scattering spectra by the ohmic current governing the equilibrium magnetic configuration in toroidal plasmas is presented. The spectral density function is calculated assuming equilibrium distributions for the (bulk and impurity) ion species and a Spitzer-like distribution to describe the response of the electrons to the applied DC electric field. As expected, the spectral asymmetries can be non-negligibly enhanced in the region of the ion-acoustic frequency. They reach their maxima for tangential scattering geometries, where the magnetic effects on the spectra are negligible. This justifies the assumption of the non-magnetized spectra. A theoretically motivated potential is shown to exist for a more detailed experimental investigation of the feasibility of current-density measurements in ohmic plasmas, based on collective scattering. (author)

Particle evaporation spectra with inclusion of thermal shape fluctuations

International Nuclear Information System (INIS)

Moretto, L.G.; Bowman, D.R.

1987-04-01

The origin of the substantial sub-Coulomb component observed in proton and 4 He evaporation spectra at high excitation energy is attributed to the thermal excitation of shape degrees of freedom. A critique of the Hauser-Feshbach theory as used in evaporation codes is presented. A new formalism including the thermal excitation of collective modes as well as quantal penetration in the framework of a transition state approach is derived. 5 figs

X-ray spectra of He-like ions of Ga and Ge, excited in the low-inductance spark plasma

International Nuclear Information System (INIS)

Aglitsky, E.V.; Antsiferov, P.S.; Panin, A.M.

1984-01-01

The spectra of Ga XXX and Ge XXXI ions in the interval 1.2-1.4 A excited in the low-inductance vacuum spark plasma have been obtained for the first time. The resonance line 1s 2 -1s2p of Ga XXX and Ge XXXI and a group of satellites, corresponding to transitions in Ga XXIX and Ge XXX can be seen distinctly in the spectra. The spectra were obtained by an electronic-optical image-intensifier tube for one discharge. (orig.)

Spectra of soft X-ray excitation potentials of titanium and vanadium compounds with carbon and nitrogen of a variable composition

International Nuclear Information System (INIS)

Brytov, I.A.; Bleher, B. Eh.; Neshpor, V.S.

1979-01-01

Lsub(3,2) spectra of excitation potentials (SEP) of a soft X-ray radiation of titanium and vanadium carbides and titanium nitrides in their homogeneity range, as well as solid solutions of nitrogen in α-titanium, are studied. The binding energies of electrons of the exciting levels relatively to the Fermi level are determined, adequacy of different quantomechanical calculations is experimentally proved. The observed changes in SEP at the variation of the metalloid concentration are explained by a quantitative transformation model of valent state energetic spectra when metalloid vacancies and connected with them local levels form

Excitation spectra and forward injection electroluminescence of Er/sup 3+/ ions in ZnS

International Nuclear Information System (INIS)

Jiaqi, Y.; Tianren, Z.; Wenlian, L.

1985-01-01

Trivalent rare earth ions (RE/sup 3+/) are efficient luminescent centers for electroluminescence (EL) of thin films of II-VI compounds, which are promising display materials and attract more and more attention. The mechanism of all EL devices of RE/sup 3+/ available so far is hot electron impact excitation. Based on the analysis of excitation spectra of RE/sup 3+/ in ZnS, the authors have pointed out the possibility of a new type of EL of RE/sup 3+/ - forward injection EL, which have potential of reducing operation voltage and raising efficiency. The forward injection EL of RE/sup 3+/ has been observed and experimentally proven in ZnS:Er/sup 3+/ diode for the first time

Collective Quadrupole Excitations of Transactinide Nuclei

CERN Document Server

Zajac, K; Pomorski, K; Rohozinski, S G; Srebrny, J

2003-01-01

The quadrupole excitations of transuranic nuclei are described in the frame of the microscopic Bohr Hamiltonian modified by adding the coupling with the collective pairing vibrations. The energies of the states from the ground-state bands in U to No even-even isotopes as well as the B(E2) transition probabilities are reproduced within the model containing no adjustable parameters.

Recommendations for the presentation of infrared absorption spectra in data collections condensed phases

CERN Document Server

Becker, E D

2013-01-01

Recommendations for the Presentation of Infrared Absorption Spectra in Data Collections-A. Condensed Phases presents the recommendations related to the infrared spectra of condensed phase materials that are proposed for permanent retention in data collections. These recommendations are based on two reports published by the Coblentz Society. This book emphasizes the three levels of quality evaluation for infrared spectra as designated by the Coblentz Society, including critically defined physical data, research quality analytical spectra, and approved analytical spectra. This text discusses the

Automatic analysis of charged particle spectra

International Nuclear Information System (INIS)

Seres, Z.; Kiss, A.

1975-11-01

A computer program system is developed for off-line automatic analysis of a series of charged particle spectra measured by solid-state detectors and collected on magnetic tapes. The procedure results in complete angular distributions for the excited levels of the final nucleus up to about 15 MeV. (orig.) [de

Collective excitations of harmonically trapped ideal gases

NARCIS (Netherlands)

Van Schaeybroeck, B.; Lazarides, A.

2009-01-01

We theoretically study the collective excitations of an ideal gas confined in an isotropic harmonic trap. We give an exact solution to the Boltzmann-Vlasov equation; as expected for a single-component system, the associated mode frequencies are integer multiples of the trapping frequency. We show

Vibrational spectra and boson-like excitations in different amorphous forms of ice

International Nuclear Information System (INIS)

Kolesnikov, A.I.; Li, J.C.; Uffindell, C.H.

1999-01-01

Complete text of publication follows. Glasses are very interesting objects in the physics of condensed matter, with many universal properties, such as low-energy excitations (LEE) coexisting with the sound waves and giving an excess of vibrational modes with respect to the crystalline spectrum (the so called 'boson' peak) in Raman and inelastic neutron scattering (INS). Recently it was discovered that films of hydrogenated amorphous silicon do not show such LEE, whereas films of amorphous silicon do [1]. Also, the resonant absorption by two-level systems was observed for the high-density amorphous (hda) ice but not for the low-density amorphous (lda) ice in the far infrared spectra [2]. Thus, the nature of these near universal LEE becomes rather puzzling. This report presents the results of INS studies for hda and lda ice produced by high-pressure treatment and for vapor-deposited lda ice. Clear LEE were observed in the spectra for hda and deposited lda ice unlike their crystalline analogues. (author)

Excited state mass spectra of doubly heavy Ξ baryons

Energy Technology Data Exchange (ETDEWEB)

Shah, Zalak; Rai, Ajay Kumar [Sardar Vallabhbhai National Institute of Technology, Department of Applied Physics, Surat, Gujarat (India)

2017-02-15

In this paper, the mass spectra are obtained for doubly heavy Ξ baryons, namely, Ξ{sub cc}{sup +}, Ξ{sub cc}{sup ++}, Ξ{sub bb}{sup -}, Ξ{sub bb}{sup 0}, Ξ{sub bc}{sup 0} and Ξ{sub bc}{sup +}. These baryons consist of two heavy quarks (cc, bb, and bc) with a light (d or u) quark. The ground, radial, and orbital states are calculated in the framework of the hypercentral constituent quark model with Coulomb plus linear potential. Our results are also compared with other predictions, thus, the average possible range of excited states masses of these Ξ baryons can be determined. The study of the Regge trajectories is performed in (n, M{sup 2}) and (J, M{sup 2}) planes and their slopes and intercepts are also determined. Lastly, the ground state magnetic moments of these doubly heavy baryons are also calculated. (orig.)

Many-body effects in the gain spectra of highly excited quantum-dot lasers

International Nuclear Information System (INIS)

Schneider, H. C.; Chow, W. W.; Koch, S. W.

2001-01-01

Optical gain spectra are computed for quantum dots under high excitation conditions, where there is a non-negligible two-dimensional carrier density surrounding the dots. Using a screened Hartree-Fock theory to describe the influence of the Coulomb interaction, we find different self-energy shifts for the dot and quantum-well transitions. Furthermore, in contrast to the result for quantum-well and bulk systems, the peak gain at the quantum-dot transition computed including Coulomb effects is reduced from its free carrier value

Quadrupole collective dynamics from energy density functionals: Collective Hamiltonian and the interacting boson model

International Nuclear Information System (INIS)

Nomura, K.; Vretenar, D.; Niksic, T.; Otsuka, T.; Shimizu, N.

2011-01-01

Microscopic energy density functionals have become a standard tool for nuclear structure calculations, providing an accurate global description of nuclear ground states and collective excitations. For spectroscopic applications, this framework has to be extended to account for collective correlations related to restoration of symmetries broken by the static mean field, and for fluctuations of collective variables. In this paper, we compare two approaches to five-dimensional quadrupole dynamics: the collective Hamiltonian for quadrupole vibrations and rotations and the interacting boson model (IBM). The two models are compared in a study of the evolution of nonaxial shapes in Pt isotopes. Starting from the binding energy surfaces of 192,194,196 Pt, calculated with a microscopic energy density functional, we analyze the resulting low-energy collective spectra obtained from the collective Hamiltonian, and the corresponding IBM Hamiltonian. The calculated excitation spectra and transition probabilities for the ground-state bands and the γ-vibration bands are compared to the corresponding sequences of experimental states.

Fluorescence spectra of Rhodamine 6G for high fluence excitation laser radiation

CERN Document Server

Hung, J; Olaizola, A M

2003-01-01

Fluorescence spectral changes of Rhodamine 6G in ethanol and glycerol solutions and deposited as a film on a silica surface have been studied using a wide range of pumping field fluence at 532 nm at room temperature. Blue shift of the fluorescence spectra and fluorescence quenching of the dye molecule in solution are observed at high excitation fluence values. Such effects are not reported for the film sample. The effects are interpreted as the result of population redistribution in the solute-solvent molecular system induced by the high fluence field and the fluence dependence of the radiationless decay mechanism.

Determination of Al concentration in Al doped ZnO using Auger spectra excited by Mo X-rays

International Nuclear Information System (INIS)

Toth, J.; Koever, L.; Cserny, I.; Varga, D.

2006-01-01

Complete text of publication follows. A good conductor with excellent transparency is of crucial importance for the window layer of CIGS solar cells. Al doped ZnO is a good candidate for this purpose, its conductivity depends on the concentration and chemical state of the Al dopant atoms. It was demonstrated that the non-conventional XPS using Mo X-rays for excitation is a very sensitive tool for the detection of Al, P, Si [1, 2, 3]. The present paper compares the experimental ratios for Zn/Al photoinduced peak intensity ratios obtained using both Al and Mo X-ray excitations. The Mo excited Zn/Al intensity ratios can be determined with higher selectivity and sensitivity than the Zn/Al intensity ratios excited by Al X-rays. The experiments were performed with a hemispherical deflector electron spectrometer [4]. The chemical state of the Al was identified to be close to that in Al 2 O 3 . The atomic concentrations were determined using a calibration curve based on ZnO/Al samples with known composition of Al. The energy dependent efficiency of the electron spectrometer was determined comparing REELS spectra of Cu specimen to standard spectra measured by K. Goto (Nagoya Institute of Technology, Japan). For evaluation of the Al atomic concentrations from the measured photoelectron intensities the photoionisation cross-sections of Band et al [5] and the IMFP data of S. Tanuma et al [6] and C.J. Powell and A. Jablonski [7] were used. (author)

Single-particle and collective excitations in Ni-63

OpenAIRE

Albers, M.; Zhu, S.; Janssens, R. V. F.; Gellanki, Jnaneswari; Ragnarsson, Ingemar; Alcorta, M.; Baugher, T.; Bertone, P. F.; Carpenter, M. P.; Chiara, C. J.; Chowdhury, P.; Deacon, A. N.; Gade, A.; DiGiovine, B.; Hoffman, C. R.

2013-01-01

A study of excited states in Ni-63 up to an excitation energy of 28 MeV and a probable spin of 57/2 was carried out with the Mg-26(Ca-48,2 alpha 3n gamma)Ni-63 reaction at beam energies between 275 and 320 MeV. Three collective bands, built upon states of single-particle character, were identified. For two of the three bands, the transition quadrupole moments were extracted, herewith quantifying the deformation at high spin. The results have been compared with shell-model and cranked Nilsson-...

Computer simulation of ICP spectra: A new tool for the study of excitation, emission, and line overlap

International Nuclear Information System (INIS)

Blades, M.W.; Burton, L.L.

1986-01-01

It is well known that the relatively high temperature of ICP sources provides an excitation environment relatively free from dissociation and vaporization interferences and, in addition, produces intense analyte line spectra and hence high analytical sensitivity. However, this feature also introduces the potential for spectral overlaps from sample concomitants. The degree to which an analyte spectral line intensity can be corrected for interfering spectral overlaps depends on many factors including spectrometer resolution, sample composition and ICP operating conditions. The authors have been using a computer program to assist them in the study of ICP analyte emission spectra. This program is being used to study the spectral distribution of line intensity information and also to do detailed investigations on spectral overlaps in complex sample mixtures. As input data the program uses tabulated wavelengths, transition probabilities (gA values), partition functions, excitation energies of the transitions, ionization energy, temperature, and Doppler and Stark linewidths

Excited state mass spectra of doubly heavy baryons Ω{sub cc}, Ω{sub bb} and Ω{sub bc}

Energy Technology Data Exchange (ETDEWEB)

Shah, Zalak; Rai, Ajay Kumar [Sardar Vallabhbhai National Institute of Technology, Department of Applied Physics, Surat, Gujarat (India); Thakkar, Kaushal [GIDC Degree Engineering college, Department of Applied Sciences and Humanities, Abrama, Navsari (India)

2016-10-15

We discuss the mass spectrum of Ω baryon with two heavy quarks and one light quark (ccs, bbs, and bcs). The main goal of the paper is to calculate the ground state masses and after that, the positive and negative parity excited states masses are also obtained within a hypercentral constituent quark model, using Coulomb plus linear potential framework. We also added a first order correction to the potential. The mass spectra up to 5S for radial excited states and 1P-5P, 1D-4D, and 1F-2F states for orbital excited states are computed for Ω{sub cc}, Ω{sub bb} and Ω{sub bc} baryons. Our obtained results are compared with other theoretical predictions, which could be a useful complementary tool for the interpretation of experimentally unknown heavy baryon spectra. The Regge trajectory is constructed in both the (n{sub r}, M{sup 2}) and the (J, M{sup 2}) planes for Ω{sub cc}, Ω{sub bb} and Ω{sub bc} baryons and their slopes and intercepts are also determined. Magnetic moments of doubly heavy Ω{sup '}s are also calculated. (orig.) 8.

Individual and collective excitations in the superdeformed nuclei of the 190 mass region; Excitations individuelles et collectives dans les noyaux superdeformes de la region de masse 190

Energy Technology Data Exchange (ETDEWEB)

Bouneau, Sandra [Inst. de Physique Nucleaire, Paris-11 Univ., 91 - Orsay (France)

1997-04-11

This work aims at the study of different excitation modes, individual and collective, in superdeformed (SD) nuclei in the mass 190 region. The study of {sup 193}Tl and {sup 195,196,197}Bi SD nuclei brought information concerning individual excitation around the proton and neutron SD gaps Z = 80 - 82 and N = 112. Also, the study of the nucleus {sup 196}Pb revealed excited SD states built on collective vibrations. Concerning the isotope {sup 193}Tl, magnetic property analysis has been performed and allowed us to identify the proton intruder orbital {pi}i{sub 13/2} on which the two known SD the bands of the nucleus are build. It was possible to separate experimentally the relative contribution of proton and neutron pairing to the dynamic moment of inertia. Several {gamma} transition of high energy (about 3 MeV) linking SD states to normal deformed states (ND) and three new SD bands have been found in this nucleus. These SD bands have been interpreted in terms of individual excitations of the single proton on different orbitals identified above the proton SD gap Z = 80. An interaction between the states of two excited SD band have been observed and its strength measured. All these results (gyromagnetic factor, the role of nuclear pairing, excitation energy of the SD well, the interaction between two orbitals) represent information of theoretical interest. In each isotope {sup 195-197}Bi, one SD band has been discovered. They have been also interpreted in terms of individual excitation implying the same proton state. The study of this nuclei brought the first experimental proof that the superdeformation phenomenon persists above the shell closure Z = 82. In {sup 196}Pb nucleus a new excited SD band has been discovered. Observations are mentioned suggesting that we have to consider excitations different from those based on individual ones. An interpretation based on vibrational modes can explain both the low energy measured of the excited states in respect with the SD

CN molecule vibrational spectra excitation in several LTE plasma sources conditions

International Nuclear Information System (INIS)

Iova, I.; Iova, Floriana; Ionita, I.; Bazavan, M.; Ilie, Gh.; Stanescu, G.

2001-01-01

Our interest in CN plasma study steams of the facilities to obtain the CN radicals in a free atmosphere electric discharge where the C of the coal electrodes can to combine in the enough high temperature plasma with the atmospheric nitrogen. Also of much interest is the very important phenomena in which the CN vibrational spectra can be implied and used as a diagnostic tool (plasma chemistry, astrophysics and so on). A peculiar importance presents the CN vibrational spectra in the transient plasmas. It is the reason why we have investigated here some internal processes of a continued and interrupted arc of various pulse lengths. To these purposes we present with enough accuracy the behaviour of the relative band head intensities of the sequences Δ v = +1 and Δ v = 0 belonging to the CN electronic transition (B 2 Σ - X 2 Σ), as a function of the pulse length (50 - 200 ms) as well as a function of the cathode to anode separation. These behaviours give us indications on the vibrational levels of the electronic state populations in several regions of the arc plasma as well on the efficiency of these levels excitation for several plasma pulse lengths. (authors)

Excited states

CERN Document Server

Lim, Edward C

1974-01-01

Excited States, Volume I reviews radiationless transitions, phosphorescence microwave double resonance through optical spectra in molecular solids, dipole moments in excited states, luminescence of polar molecules, and the problem of interstate interaction in aromatic carbonyl compounds. The book discusses the molecular electronic radiationless transitions; the double resonance techniques and the relaxation mechanisms involving the lowest triplet state of aromatic compounds; as well as the optical spectra and relaxation in molecular solids. The text also describes dipole moments and polarizab

Capturing molecular multimode relaxation processes in excitable gases based on decomposition of acoustic relaxation spectra

Science.gov (United States)

Zhu, Ming; Liu, Tingting; Wang, Shu; Zhang, Kesheng

2017-08-01

Existing two-frequency reconstructive methods can only capture primary (single) molecular relaxation processes in excitable gases. In this paper, we present a reconstructive method based on the novel decomposition of frequency-dependent acoustic relaxation spectra to capture the entire molecular multimode relaxation process. This decomposition of acoustic relaxation spectra is developed from the frequency-dependent effective specific heat, indicating that a multi-relaxation process is the sum of the interior single-relaxation processes. Based on this decomposition, we can reconstruct the entire multi-relaxation process by capturing the relaxation times and relaxation strengths of N interior single-relaxation processes, using the measurements of acoustic absorption and sound speed at 2N frequencies. Experimental data for the gas mixtures CO2-N2 and CO2-O2 validate our decomposition and reconstruction approach.

Collective excitability in a mesoscopic neuronal model of epileptic activity

Science.gov (United States)

Jedynak, Maciej; Pons, Antonio J.; Garcia-Ojalvo, Jordi

2018-01-01

At the mesoscopic scale, the brain can be understood as a collection of interacting neuronal oscillators, but the extent to which its sustained activity is due to coupling among brain areas is still unclear. Here we address this issue in a simplified situation by examining the effect of coupling between two cortical columns described via Jansen-Rit neural mass models. Our results show that coupling between the two neuronal populations gives rise to stochastic initiations of sustained collective activity, which can be interpreted as epileptic events. For large enough coupling strengths, termination of these events results mainly from the emergence of synchronization between the columns, and thus it is controlled by coupling instead of noise. Stochastic triggering and noise-independent durations are characteristic of excitable dynamics, and thus we interpret our results in terms of collective excitability.

Effect of fission dynamics on the spectra and multiplicities of prompt fission neutrons

International Nuclear Information System (INIS)

Nix, J.R.; Madland, D.G.; Sierk, A.J.

1985-01-01

With the goal of examining their effect on the spectra and multiplicities of the prompt neutrons emitted in fission, we discuss recent advances in a unified macroscopic-microscopic description of large-amplitude collective nuclear dynamics. The conversion of collective energy into single-particle excitation energy is calculated for a new surface-plus-window dissipation mechanism. By solving the Hamilton equations of motion for initial conditions appropriate to fission, we obtain the average fission-fragment translational kinetic energy and excitation energy. The spectra and multiplicities of the emitted neutrons, which depend critically upon the average excitation energy, are then calculated on the basis of standard nuclear evaporation theory, taking into account the average motion of the fission fragments, the distribution of fission-fragment residual nuclear temperature, the energy dependence of the cross section for the inverse process of compound-nucleus formation, and the possibility of multiple-chance fission. Some illustrative comparisons of our calculations with experimental data are shown

Inelastic electron and Raman scattering from the collective excitations in quantum wires: Zero magnetic field

Directory of Open Access Journals (Sweden)

Manvir S. Kushwaha

2013-04-01

intrasubband and intersubband single-particle as well as collective excitations], the loss functions for the IES and the Raman intensity for the ILS. We observe that it is the collective (plasmon excitations that largely contribute to the predominant peaks in the energy-loss and the Raman spectra. The inductive reasoning is that the IES can be a potential alternative of the overused ILS for investigating collective excitations in quantum wires. We trust that this research work shall be useful to all – from novice to expert and from theorist to experimentalist – who believe in the power of traditional science.

Magnetophonon resonance in photoluminescence excitation spectra of magnetoexcitons in GaAs/Al0.3Ga0.7As superlattice

DEFF Research Database (Denmark)

Dickmann, S.; Tartakovskii, A. I.; Timofeev, V. B.

2000-01-01

A strong increase in the intensity of the peaks of excited magnetoexciton (ME) states in the photoluminescence excitation (PLE) spectra recorded for the ground heavy-hole magnetoexcitons (of the 1sHH type) has been found in a GaAs/Al0.3Ga0.7As superlattice in strong magnetic field B applied normal...... to the sample layers. While varying B, the intensities of the PLE peaks have been measured as functions of energy separation Delta E between excited ME peaks and the ground state of the system. The resonance profiles have been found to have maxima at Delta E-max close to the energy of the GaAs LO phonon...

IRAS observations of the exciting stars of Herbig-Haro objects. II. The Reipurth and Graham sample and low-resolution spectra

International Nuclear Information System (INIS)

Cohen, M.

1990-01-01

Using IRAS COADDed images, candidates are suggested for the exciting stars of Herbig-Haro objects from the Reipurth and Graham sample. The IRAS low-resolution spectrometer provides spectra for 20 of the 46 candidate stars so far identified as exciting young, unevolved H-H systems. These reveal 10-micron silicate absorption features, or are too red to show detectable flux near 10 microns. The histogram of bolometric luminosities for 46 young Herbig-Haro exciting stars has a median of 13 solar luminosities and a mode between 16 and 32 solar luminosities. Although the enlarged sample of known exciting stars has more of the higher luminosity objects than an earlier sample, the histogram still represents a generally low-luminosity distribution. 27 refs

No evidence of reduced collectivity in Coulomb-excited Sn isotopes

Science.gov (United States)

Kumar, R.; Saxena, M.; Doornenbal, P.; Jhingan, A.; Banerjee, A.; Bhowmik, R. K.; Dutt, S.; Garg, R.; Joshi, C.; Mishra, V.; Napiorkowski, P. J.; Prajapati, S.; Söderström, P.-A.; Kumar, N.; Wollersheim, H.-J.

2017-11-01

In a series of Coulomb excitation experiments the first excited 2+ states in semimagic Sn 112 ,116 ,118 ,120 ,122 ,124 isotopes were excited using a 58Ni beam at safe Coulomb energy. The B (E 2 ; 0+→2+) values were determined with high precision (˜3 %) relative to 58Ni projectile excitation. These results disagree with previously reported B (E 2 ↑) values [A. Jungclaus et al., Phys. Lett. B 695, 110 (2011)., 10.1016/j.physletb.2010.11.012] extracted from Doppler-shift attenuation lifetime measurements, whereas the reported mass dependence of B (E 2 ↑) values is very similar to a recent Coulomb excitation study [J. M. Allmond et al., Phys. Rev. C 92, 041303(R) (2015), 10.1103/PhysRevC.92.041303]. The stable Sn isotopes, key nuclei in nuclear structure, show no evidence of reduced collectivity and we, thus, reconfirm the nonsymmetric behavior of reduced transition probabilities with respect to the midshell A =116 .

Room temperature excitation spectroscopy of single quantum dots

Directory of Open Access Journals (Sweden)

Christian Blum

2011-08-01

Full Text Available We report a single molecule detection scheme to investigate excitation spectra of single emitters at room temperature. We demonstrate the potential of single emitter photoluminescence excitation spectroscopy by recording excitation spectra of single CdSe nanocrystals over a wide spectral range of 100 nm. The spectra exhibit emission intermittency, characteristic of single emitters. We observe large variations in the spectra close to the band edge, which represent the individual heterogeneity of the observed quantum dots. We also find specific excitation wavelengths for which the single quantum dots analyzed show an increased propensity for a transition to a long-lived dark state. We expect that the additional capability of recording excitation spectra at room temperature from single emitters will enable insights into the photophysics of emitters that so far have remained inaccessible.

Vibronic effects and destruction of exciton coherence in optical spectra of J-aggregates: A variational polaron transformation approach

Energy Technology Data Exchange (ETDEWEB)

Bloemsma, E.A.; Silvis, M.H.; Stradomska, A.; Knoester, J., E-mail: j.knoester@rug.nl

2016-12-20

Using a symmetry adapted polaron transformation of the Holstein Hamiltonian, we study the interplay of electronic excitation-vibration couplings, resonance excitation transfer interactions, and temperature in the linear absorption spectra of molecular J-aggregates. Semi-analytical expressions for the spectra are derived and compared with results obtained from direct numerical diagonalization of the Hamiltonian in the two-particle basis set representation. At zero temperature, we show that our polaron transformation reproduces both the collective (exciton) and single-molecule (vibrational) optical response associated with the appropriate standard perturbation limits. Specifically, for the molecular dimer excellent agreement with the spectra from the two-particle approach for the entire range of model parameters is obtained. This is in marked contrast to commonly used polaron transformations. Upon increasing the temperature, the spectra show a transition from the collective to the individual molecular features, which results from the thermal destruction of the exciton coherence.

Fermionic Collective Excitations in a Lattice Gas of Rydberg Atoms

International Nuclear Information System (INIS)

Olmos, B.; Gonzalez-Ferez, R.; Lesanovsky, I.

2009-01-01

We investigate the many-body quantum states of a laser-driven gas of Rydberg atoms confined to a large spacing ring lattice. If the laser driving is much stronger than the van der Waals interaction among the Rydberg atoms, these many-body states are collective fermionic excitations. The first excited state is a spin wave that extends over the entire lattice. We demonstrate that our system permits us to study fermions in the presence of disorder although no external atomic motion takes place. We analyze how this disorder influences the excitation properties of the fermionic states. Our work shows a route towards the creation of complex many-particle states with atoms in lattices.

COLORED DISSOLVED ORGANIC MATTER (CDOM) CHARACTERIZATION BY ABSORPTION AND FLUORESCENCE SPECTRA

OpenAIRE

Goncalves Araujo, Rafael; Ramirez-Perez, Marta; Kraberg, Alexandra; Piera, Jaume; Bracher, Astrid

2014-01-01

Colored dissolved organic matter (CDOM) absorption and fluorescence spectra were analyzed from samples collected in the Lena River Delta region (Siberia, Russia; summer-2013) and in the Alfacs Bay (Ebro River Delta, Spain; summer-2013/winter-2014) in order to use optical measurements to infer loading and origin of CDOM. Absorbance spectra and Excitation-Emission matrices (EEMs) were obtained with a HORIBA Aqualog® spectrofluorometer. CDOM absorption at 443nm (a443) and terrestrial absorption ...

Influence of collective excitations on pre-equilibrium and equilibrium processes

International Nuclear Information System (INIS)

Ignatyuk, A.V.; Lunev, V.P.

1990-01-01

The influence of the collective states excitations on equilibrium and preequilibrium processes in reaction is discussed. It is shown that for a consistent description of the contribution of preequilibrium and equilibrium compound processes collective states should be taken into account in the level density calculations. The microscopic and phenomenological approaches for the level density calculations are discussed. 13 refs.; 8 figs

Spectra of γ rays feeding superdeformed bands

International Nuclear Information System (INIS)

Lauritsen, T.; Khoo, T.L.; Henry, R.G.

1995-01-01

The spectrum of γrays coincident with SD transitions contains the transitions which populate the SD band. This spectrum can provide information on the feeding mechanism and on the properties (moment of inertia, collectivity) of excited SD states. We used a model we developed to explain the feeding of SD bands, to calculate the spectrum of feeding γrays. The Monte Carlo simulations take into account the trigger conditions present in our Eurogam experiment. Both experimental and theoretical spectra contain a statistical component and a broad E2 peak (from transitions occurring between excited states in the SD well). There is good resemblance between the measured and calculated spectra although the calculated multiplicity of an E2 bump is low by ∼30%. Work is continuing to improve the quality of the fits, which will result in a better understanding of excited SD states. In addition, a model for the last steps, which cool the γ cascade into the SD yrast line, needs to be developed. A strong M1/E2 low-energy component, which we believe is responsible for this cooling, was observed

Spectra of {gamma} rays feeding superdeformed bands

Energy Technology Data Exchange (ETDEWEB)

Lauritsen, T.; Khoo, T.L.; Henry, R.G. [and others

1995-08-01

The spectrum of {gamma}rays coincident with SD transitions contains the transitions which populate the SD band. This spectrum can provide information on the feeding mechanism and on the properties (moment of inertia, collectivity) of excited SD states. We used a model we developed to explain the feeding of SD bands, to calculate the spectrum of feeding {gamma}rays. The Monte Carlo simulations take into account the trigger conditions present in our Eurogam experiment. Both experimental and theoretical spectra contain a statistical component and a broad E2 peak (from transitions occurring between excited states in the SD well). There is good resemblance between the measured and calculated spectra although the calculated multiplicity of an E2 bump is low by {approximately}30%. Work is continuing to improve the quality of the fits, which will result in a better understanding of excited SD states. In addition, a model for the last steps, which cool the {gamma} cascade into the SD yrast line, needs to be developed. A strong M1/E2 low-energy component, which we believe is responsible for this cooling, was observed.

Analytic treatment of the excited instability spectra of the magnetically charged SU(2) Reissner-Nordström black holes

Energy Technology Data Exchange (ETDEWEB)

Hod, Shahar [The Ruppin Academic Center, Emeq Hefer 40250 (Israel); The Hadassah Academic College, Jerusalem 91010 (Israel)

2017-03-14

The magnetically charged SU(2) Reissner-Nordström black-hole solutions of the coupled nonlinear Einstein-Yang-Mills field equations are known to be characterized by infinite spectra of unstable (imaginary) resonances {ω_n(r_+,r_−)}{sub n=0}{sup n=∞} (here r{sub ±} are the black-hole horizon radii). Based on direct numerical computations of the black-hole instability spectra, it has recently been observed that the excited instability eigenvalues of the magnetically charged black holes exhibit a simple universal behavior. In particular, it was shown that the numerically computed instability eigenvalues of the magnetically charged black holes are characterized by the small frequency universal relation ω{sub n}(r{sub +}−r{sub −})=λ{sub n}, where {λ_n} are dimensionless constants which are independent of the black-hole parameters. In the present paper we study analytically the instability spectra of the magnetically charged SU(2) Reissner-Nordström black holes. In particular, we provide a rigorous analytical proof for the numerically-suggested universal behavior ω{sub n}(r{sub +}−r{sub −})=λ{sub n} in the small frequency ω{sub n}r{sub +}≪(r{sub +}−r{sub −})/r{sub +} regime. Interestingly, it is shown that the excited black-hole resonances are characterized by the simple universal relation ω{sub n+1}/ω{sub n}=e{sup −2π/√3}. Finally, we confirm our analytical results for the black-hole instability spectra with numerical computations.

Microstructure ion Nuclear Spectra at High Excitation

International Nuclear Information System (INIS)

Ericson, T.E.O.

1969-01-01

The statistical microstructure of highly excited systems is illustrated by the distribution and fluctuations of levels, widths and cross-sections of nuclei both for the case of sharp resonances and the continuum case. The coexistence of simple modes of excitation with statistical effects in terms of strength functions is illustrated by isobaric analogue states. The analogy is made with similar phenomena for coherent light, is solid-state physics and high-energy physics. (author)

RCI Simulation for EUV spectra from Sn ions

International Nuclear Information System (INIS)

Kagawa, T; Tanuma, H; Ohashi, H; Nishihara, K

2007-01-01

Using the relativistic-configuration-interaction atomic structure code, RCI simulations for EUV spectra from Sn 10+ , Sn 11+ and Sn 12+ ions are carried out, where it is assumed that each ion is embedded in a LTE plasma with the electron temperature of 30 eV. To make clear assignment of the measured spectra, the value of the excitation energy limit, which is introduced to limit the number of excited states in the simulation, is changed to see the excitation-energy-limit dependence of the spectral shape. The simulated spectra are obtained as a superposition of line intensities due to all possible transitions between two states whose excitation energy from the ground state is lower than the excitation energy limit assumed. The RCI simulated spectra are compared to the spectra measured with the chargeexchange- collision experiment in which a rare gas such as Xe or He as a target is bombarded by a charge-selected tin ion. Applicability of the LTE model to a decay model in the charge exchange collision experiment is also discussed

The effect of ultraviolet irradiation on the photothermal, photoluminescence and photoluminescence excitation spectra of Mn-doped ZnS nanoparticles

International Nuclear Information System (INIS)

Briones Cruz, Almira; Shen Qing; Toyoda, Taro

2006-01-01

Research involving Mn doped nanocrystalline ZnS (ZnS:Mn) has grown in recent years, partly due to the high quantum luminescence efficiencies that have been reported. We measured the photoacoustic (PA), the photoluminescence (PL) and the photoluminescence excitation (PLE) spectra of surface-passivated and unpassivated ZnS:Mn. The effects of UV irradiation on the PL and PLE spectra were also studied. A decrease in the PA intensity after UV exposure was observed for the ZnS:Mn, indicating a decrease in the nonradiative relaxation probability. The observed increase in PL intensity indicates a corresponding increase in the radiative transition probability. For the PLE spectra, possible aggregation of the primary particles could have resulted in the lower measured energy of the PLE peak compared to the value predicted by the effective mass approximation theory

Raman Spectra from Pesticides on the Surface of Fruits

International Nuclear Information System (INIS)

Zhang, P X; Zhou Xiaofang; Cheng, Andrew Y S; Fang Yan

2006-01-01

Raman spectra of several vegetables and fruits were studied by micro-Raman spectrometer (514.5 nm) and Near-infrared Fourier Transform Raman spectrometer (FTRaman). It is shown that at 514.5 nm excitation, most of the spectra are from that of carotene with some very strong fluorescence in some cases. While at 1064 nm wavelength excitation, the spectra from the different samples demonstrate different characteristic Raman spectra without fluorescence. We discuss the spectroscopic difference by the two excitation wavelengths, and the application of Raman spectra for detection of pesticides left on the surface of vegetables and fruits. Raman spectra of fruits and pesticides were successfully recorded, and using the FT-Raman spectra the pesticides left on the surface of the fruits can be detected conveniently

Excited State Spectra and Dynamics of Phenyl-Substituted Butadienes

DEFF Research Database (Denmark)

Wallace-Williams, Stacie E.; Schwartz, Benjamin J.; Møller, Søren

1994-01-01

indicate that phenyl torsional motion is not important to the excited-state dynamics and reveal alternative excited-state reaction pathways. The results demonstrate how molecular systems that are structually similar can exhibit different electronic properties and excited-state dynamics....

Collective excitations in the transitional nuclei /sup 224,226,228,230 /Ra

CERN Document Server

Kurcewicz, W; Kaffrell, N; Nyman, G H; Ruchowska, E

1981-01-01

The gamma -rays following the beta -decay of /sup 224,226,228,230/Fr have been investigated by means of gamma -ray singles (including multispectrum analysis) and gamma gamma coincidence measurements using Ge(Li) spectrometers. The study of the excited levels in /sup 224,226,228,230/Ra is focused on the properties of collective states. The analysis of the results leads one to the conclusion that a ground- state octupole deformation is the most likely explanation for the special features of the collective excitations in Ra and some neighbouring nuclei in the N136 region. (15 refs).

Characterization of weakly excited final states by shakedown spectroscopy of laser-excited potassium

International Nuclear Information System (INIS)

Schulz, J.; Heinaesmaeki, S.; Aksela, S.; Aksela, H.; Sankari, R.; Rander, T.; Lindblad, A.; Bergersen, H.; Oehrwall, G.; Svensson, S.; Kukk, E.

2006-01-01

3p shakedown spectra of laser excited potassium atoms as well as direct 3p photoemission of ground state potassium have been studied. These two excitation schemes lead to the same final states and thereby provide a good basis for a detailed study of the 3p 5 (4s3d) 1 configurations of singly ionized potassium and the photoemission processes leading to these configurations. The comparison of direct photoemission from the ground state and conjugate shakedown spectra from 4p 1/2 laser excited potassium made it possible to experimentally determine the character of final states that are only weakly excited in the direct photoemission but have a much higher relative intensity in the shakedown spectrum. Based on considerations of angular momentum and parity conservation the excitation scheme of the final states can be understood

Excited state Intramolecular Proton Transfer in Anthralin

DEFF Research Database (Denmark)

Møller, Søren; Andersen, Kristine B.; Spanget-Larsen, Jens

1998-01-01

Quantum chemical calculations performed on anthralin (1,8-dihydroxy-9(10H)-anthracenone) predict the possibility of an excited-state intramolecular proton transfer process. Fluorescence excitation and emission spectra of the compound dissolved in n-hexane at ambient temperature results in an unus......Quantum chemical calculations performed on anthralin (1,8-dihydroxy-9(10H)-anthracenone) predict the possibility of an excited-state intramolecular proton transfer process. Fluorescence excitation and emission spectra of the compound dissolved in n-hexane at ambient temperature results......, associated with an excited-state intramolecular proton transfer process....

Electron energy-loss spectra in molecular fluorine

Science.gov (United States)

Nishimura, H.; Cartwright, D. C.; Trajmar, S.

1979-01-01

Electron energy-loss spectra in molecular fluorine, for energy losses from 0 to 17.0 eV, have been taken at incident electron energies of 30, 50, and 90 eV and scattering angles from 5 to 140 deg. Features in the spectra above 11.5 eV energy loss agree well with the assignments recently made from optical spectroscopy. Excitations of many of the eleven repulsive valence excited electronic states are observed and their location correlates reasonably well with recent theoretical results. Several of these excitations have been observed for the first time and four features, for which there are no identifications, appear in the spectra.

A comparative theoretical study on core-hole excitation spectra of azafullerene and its derivatives

Energy Technology Data Exchange (ETDEWEB)

Deng, Yunfeng [Guizhou Provincial Key Laboratory of Computational Nano-material Science, Guizhou Normal College, Guiyang 550018 (China); Department of Physics, Guizhou University, Guiyang 550025 (China); Gao, Bin, E-mail: bin.gao@uit.no [Guizhou Provincial Key Laboratory of Computational Nano-material Science, Guizhou Normal College, Guiyang 550018 (China); Centre for Theoretical and Computational Chemistry (CTCC), Department of Chemistry, University of Tromsø—The Arctic University of Norway, N-9037 Tromsø (Norway); Deng, Mingsen, E-mail: deng@gznc.edu.cn [Guizhou Provincial Key Laboratory of Computational Nano-material Science, Guizhou Normal College, Guiyang 550018 (China); Luo, Yi [Guizhou Provincial Key Laboratory of Computational Nano-material Science, Guizhou Normal College, Guiyang 550018 (China); Department of Theoretical Chemistry, School of Biotechnology, Royal Institute of Technology, SE-10691 Stockholm (Sweden)

2014-03-28

The core-hole excitation spectra—near-edge x-ray absorption spectroscopy (NEXAFS), x-ray emission spectroscopy (XES), and x-ray photoelectron spectroscopy (XPS) shake-up satellites have been simulated at the level of density functional theory for the azafullerene C{sub 59}N and its derivatives (C{sub 59}N){sup +}, C{sub 59}HN, (C{sub 59}N){sub 2}, and C{sub 59}N–C{sub 60}, in which the XPS shake-up satellites were simulated using our developed equivalent core hole Kohn-Sham (ECH-KS) density functional theory approach [B. Gao, Z. Wu, and Y. Luo, J. Chem. Phys. 128, 234704 (2008)] which aims for the study of XPS shake-up satellites of large-scale molecules. Our calculated spectra are generally in good agreement with available experimental results that validates the use of the ECH-KS method in the present work. The nitrogen K-edge NEXAFS, XES, and XPS shake-up satellites spectra in general can be used as fingerprints to distinguish the azafullerene C{sub 59}N and its different derivatives. Meanwhile, different carbon K-edge spectra could also provide detailed information of (local) electronic structures of different molecules. In particular, a peak (at around 284.5 eV) in the carbon K-edge NEXAFS spectrum of the heterodimer C{sub 59}N–C{sub 60} is confirmed to be related to the electron transfer from the C{sub 59}N part to the C{sub 60} part in this charge-transfer complex.

Recent research directions in Fribourg: nuclear dynamics in resonances revealed by 2-dimensional EEL spectra, electron collisions with ionic liquids and electronic excitation of pyrimidine

International Nuclear Information System (INIS)

Allan, M.; Regeta, K.; Gorfinkiel, J.D.; Masin, Z.; Grimme, S.; Bannwarth, C.

2016-01-01

The article briefly reviews three subjects recently investigated in Fribourg: 1) electron collisions with surfaces of ionic liquids, 2) two-dimensional (2D) electron energy loss spectra and 3) resonances in absolute cross sections for electronic excitation of unsaturated compounds. Electron energy loss spectra of four ionic liquids revealed a number of excited states, including triplet states. A solution of a dye in an ionic liquid showed an energy-loss band of the solute, but not in all ionic liquids. 2D spectra reveal state-to-state information (given resonance to given final state) and are shown to be an interesting means to gain insight into dynamics of nuclear motion in resonances. Absolute cross sections for pyrimidine are reported as a function of scattering angle and as a function of electron energy. They reveal resonant structure which was reproduced very nicely by R-matrix calculations. The calculation provided an assignment of the resonances which reveals common patterns in compounds containing double bonds. (authors)

Collective Excitations in Liquid Hydrogen Observed by Coherent Neutron Scattering

DEFF Research Database (Denmark)

da Costa Carneiro, Kim; Nielsen, M.; McTague, J. P.

1973-01-01

Coherent scattering of neutrons by liquid parahydrogen shows the existence of well-defined collective excitations in this liquid. Qualitative similarity with the scattering from liquid helium is found. Furthermore, in the range of observed wave vectors, 0.7 Å-1 ≤κ≤3.1 Å-1, extending from the firs...

Melanin fluorescence spectra by step-wise three photon excitation

Science.gov (United States)

Lai, Zhenhua; Kerimo, Josef; DiMarzio, Charles A.

2012-03-01

Melanin is the characteristic chromophore of human skin with various potential biological functions. Kerimo discovered enhanced melanin fluorescence by stepwise three-photon excitation in 2011. In this article, step-wise three-photon excited fluorescence (STPEF) spectrum between 450 nm -700 nm of melanin is reported. The melanin STPEF spectrum exhibited an exponential increase with wavelength. However, there was a probability of about 33% that another kind of step-wise multi-photon excited fluorescence (SMPEF) that peaks at 525 nm, shown by previous research, could also be generated using the same process. Using an excitation source at 920 nm as opposed to 830 nm increased the potential for generating SMPEF peaks at 525 nm. The SMPEF spectrum peaks at 525 nm photo-bleached faster than STPEF spectrum.

Double-electron excitation above Xe K-edge

International Nuclear Information System (INIS)

Ito, Y.; Tochio, T.; Vlaicu, A.M.; Mutaguchi, K.; OhHashi, H.; Shigeoka, N.; Nakata, Y.; Akahama, Y.; Uruga, T.; Emura, Sh.

2000-01-01

When X-rays fall on any substance, whether solid, liquid, or gaseous, a photoabsorption occurs. Photoabsorption in atoms has been generally treated as a single-electron excitation process. However, the existence of the multi-electron excitation process, where the removal of a core electron by photoabsorption causes excitation of additional electrons in the same atoms, has been known in x-ray absorption spectra for a long time. In x-ray absorption spectra, experimental investigations of the shake processes in inner-shell ionization phenomena have been performed by detecting discontinuities. The shake effect which is a consequence of rearrangement of the atomic electrons, occurs in association with inner-shell excitation and ionization phenomena in x-ray absorption. The shake process has been studied extensively in various gases, because it is usually considered that the measurement of the multi-electron excitation is only possible for monatomic gases or vapors. The x-ray absorption spectra in Kr gas were measured by Ito et al. in order to observe precisely x-ray absorption spectra and to investigate the multi-electron excitation cross sections in Kr as a function of photon energy using synchrotron radiation. However, no suitable measured K x-ray absorption spectra was available to elucidate the shake processes. In the present work, the photoabsorption cross sections in Xe have been precisely measured in order to determine the features on the shake processes resulting from multiple electron excitations as a function of photon energy. Double-electron transitions of [1s4d], [1s4p], [1s4s], and [1s3d] are first detected. (author)

Excitation of autoionizing states of helium by 100 keV proton impact: II. Excitation cross sections and mechanisms of excitation

Energy Technology Data Exchange (ETDEWEB)

Godunov, A.L. [Department of Physics, Tulane University, New Orleans, LA 70118-5698 (United States); Ivanov, P.B.; Schipakov, V.A. [Troitsk Institute of Innovation and Fusion Research Troitsk, Moscow region, 142092 (Russian Federation); Moretto-Capelle, P.; Bordenave-Montesquieu, D.; Bordenave-Montesquieu, A. [Laboratoire Collisions, Agregats, Reactivite, IRSAMC, UMR 5589, CNRS-Universite Paul Sabatier, 31062 Toulouse Cedex (France)

2000-03-14

Mechanisms of two-electron excitation of the (2s{sup 2}){sup 1} S, (2p{sup 2} ){sup 1} D and (2s2p){sup 1} P autoionizing states of helium are studied both experimentally and theoretically. It is shown that an explicit introduction of a kinematic factor, with a process-specific phase leads to a productive parametrization of experimental cross sections of ionization, allowing one to extract cross sections of excitation of autoionizing states. Using a new fitting procedure together with the proposed parametrization made it possible to obtain the excitation cross sections and magnetic sublevel population from electron spectra as well as, for the first time, to resolve the contribution of resonance and interference components to resonance profiles. Interference with direct ionization is shown to contribute significantly into resonance formation even for backward ejection angles. We demonstrate theoretically that the excitation cross sections thus extracted from experimental electron spectra hold information about the interaction of autoionizing states with an adjacent continuum. (author)

Three-mode resonant coupling of collective excitations in a Bose-Einstein condensate

International Nuclear Information System (INIS)

Ma Yongli; Huang, Guoxiang; Hu Bambi

2005-01-01

We make a systematic study of the resonant mode coupling of the collective excitations at zero temperature in a Bose-Einstein condensate (BEC). (i) Based on the Gross-Pitaevskii equation we derive a set of nonlinearly coupled envelope equations for a three-mode resonant interaction (TMRI) by means of a method of multiple scales. (ii) We calculate the coupling matrix elements for the TMRI and show that the divergence appearing in previous studies can be eliminated completely by using a Fetter-like variational approximation for the ground-state wave function of the condensate. (iii) We provide the selection rules in mode-mode interaction processes [including TMRI and second-harmonic generation (SHG)] according to the symmetry of the excitations. (iv) By solving the nonlinearly coupled envelope equations we obtain divergence-free nonlinear amplitudes for the TMRI and SHG processes and show that our theoretical results on the shape oscillations of the condensate agree well with the experimental ones. We suggest also an experiment to check the theoretical prediction of the present study on the TMRI of collective excitations in a BEC

Autoionization spectra of He excited by fast (MeV) H+, He+, and Li/sup n+/ (n = 1,2,3) ions

International Nuclear Information System (INIS)

Schneider, D.; Arcuni, P.; Bruch, P.; Stoeffler, W.

1983-01-01

Autoionization spectra of He following excitation by 1 to 3 MeV H + , He + , and Li/sup n+/ (n = 1,2,3) have been measured as a function of observation angle. The (2p 2 ) 1 D and (2s2p) 1 P resonances have been examined and a strong dependence on projectile velocities, charge state and observation angle was found

Gamma ray spectra recorded from the fallout collected in May 1986

International Nuclear Information System (INIS)

Cristu, M.I.

1987-07-01

An analysis of the gamma ray spectra recorded from the fallout collective in Bucharest and Brasov in May, 1986 was carried out. Relative activities of the assigned radionuclides were computed and the duration of the 235 U fuel irradiation has been deduced. (author)

Semiconductor color-center structure and excitation spectra: Equation-of-motion coupled-cluster description of vacancy and transition-metal defect photoluminescence

Science.gov (United States)

Lutz, Jesse J.; Duan, Xiaofeng F.; Burggraf, Larry W.

2018-03-01

Valence excitation spectra are computed for deep-center silicon-vacancy defects in 3C, 4H, and 6H silicon carbide (SiC), and comparisons are made with literature photoluminescence measurements. Optimizations of nuclear geometries surrounding the defect centers are performed within a Gaussian basis-set framework using many-body perturbation theory or density functional theory (DFT) methods, with computational expenses minimized by a QM/MM technique called SIMOMM. Vertical excitation energies are subsequently obtained by applying excitation-energy, electron-attached, and ionized equation-of-motion coupled-cluster (EOMCC) methods, where appropriate, as well as time-dependent (TD) DFT, to small models including only a few atoms adjacent to the defect center. We consider the relative quality of various EOMCC and TD-DFT methods for (i) energy-ordering potential ground states differing incrementally in charge and multiplicity, (ii) accurately reproducing experimentally measured photoluminescence peaks, and (iii) energy-ordering defects of different types occurring within a given polytype. The extensibility of this approach to transition-metal defects is also tested by applying it to silicon-substituted chromium defects in SiC and comparing with measurements. It is demonstrated that, when used in conjunction with SIMOMM-optimized geometries, EOMCC-based methods can provide a reliable prediction of the ground-state charge and multiplicity, while also giving a quantitative description of the photoluminescence spectra, accurate to within 0.1 eV of measurement for all cases considered.

Influence of collective excitations on preequilibrium and equilibrium processes

International Nuclear Information System (INIS)

Ignatyuk, A.V.; Lunev, V.P.

1991-01-01

In all models used for calculations of nuclear cross sections, the reaction mechanisms are separated into one-step and multistep direct, multistep compound, preequilibrium and compound equilibrium. However, essential variances in estimates of the direct and preequilibrium process contributions still exist. This paper presents a demonstration of the connection of these variances with the influence of collective excitations on the direct and compound processes. (author). 13 refs, 8 figs

Effect of anthocyanins, carotenoids, and flavonols on chlorophyll fluorescence excitation spectra in apple fruit: signature analysis, assessment, modelling, and relevance to photoprotection.

Science.gov (United States)

Merzlyak, Mark N; Melø, Thor Bernt; Naqvi, K Razi

2008-01-01

Whole apple fruit (Malus domestica Borkh.) widely differing in pigment content and composition has been examined by recording its chlorophyll fluorescence excitation and diffuse reflection spectra in the visible and near UV regions. Spectral bands sensitive to the pigment concentration have been identified, and linear models for non-destructive assessment of anthocyanins, carotenoids, and flavonols via chlorophyll fluorescence measurements are put forward. The adaptation of apple fruit to high light stress involves accumulation of these protective pigments, which absorb solar radiation in broad spectral ranges extending from UV to the green and, in anthocyanin-containing cultivars, to the red regions of the spectrum. In ripening apples the protective effect in the blue region could be attributed to extrathylakoid carotenoids. A simple model, which allows the simulation of chlorophyll fluorescence excitation spectra in the visible range and a quantitative evaluation of competitive absorption by anthocyanins, carotenoids, and flavonols, is described. Evidence is presented to support the view that anthocyanins, carotenoids, and flavonols play, in fruit with low-to-moderate pigment content, the role of internal traps (insofar as they compete with chlorophylls for the absorption of incident light in specific spectral bands), affecting thereby the shape of the chlorophyll fluorescence excitation spectrum.

The multi-resolution capability of Tchebichef moments and its applications to the analysis of fluorescence excitation-emission spectra

Science.gov (United States)

Li, Bao Qiong; Wang, Xue; Li Xu, Min; Zhai, Hong Lin; Chen, Jing; Liu, Jin Jin

2018-01-01

Fluorescence spectroscopy with an excitation-emission matrix (EEM) is a fast and inexpensive technique and has been applied to the detection of a very wide range of analytes. However, serious scattering and overlapping signals hinder the applications of EEM spectra. In this contribution, the multi-resolution capability of Tchebichef moments was investigated in depth and applied to the analysis of two EEM data sets (data set 1 consisted of valine-tyrosine-valine, tryptophan-glycine and phenylalanine, and data set 2 included vitamin B1, vitamin B2 and vitamin B6) for the first time. By means of the Tchebichef moments with different orders, the different information in the EEM spectra can be represented. It is owing to this multi-resolution capability that the overlapping problem was solved, and the information of chemicals and scatterings were separated. The obtained results demonstrated that the Tchebichef moment method is very effective, which provides a promising tool for the analysis of EEM spectra. It is expected that the applications of Tchebichef moment method could be developed and extended in complex systems such as biological fluids, food, environment and others to deal with the practical problems (overlapped peaks, unknown interferences, baseline drifts, and so on) with other spectra.

Elementary excitations in single-chain magnets

Science.gov (United States)

Lutz, Philipp; Aguilà, David; Mondal, Abhishake; Pinkowicz, Dawid; Marx, Raphael; Neugebauer, Petr; Fâk, Björn; Ollivier, Jacques; Clérac, Rodolphe; van Slageren, Joris

2017-09-01

Single-chain magnets (SCMs) are one-dimensional coordination polymers or spin chains that display slow relaxation of the magnetization. Typically their static magnetic properties are described by the Heisenberg model, while the description of their dynamic magnetic properties is based on an Ising-like model. The types of excitations predicted by these models (collective vs localized) are quite different. Therefore we probed the nature of the elementary excitations for two SCMs abbreviated Mn2Ni and Mn2Fe , as well as a mononuclear derivative of the Mn2Fe chain, by means of high-frequency electron paramagnetic resonance spectroscopy (HFEPR) and inelastic neutron scattering (INS). We find that the HFEPR spectra of the chains are clearly distinct from those of the monomer. The momentum transfer dependence of the INS intensity did not reveal significant dispersion, indicating an essentially localized nature of the excitations. At the lowest temperatures these are modified by the occurrence of short-range correlations.

Excitation wavelength selection for quantitative analysis of carotenoids in tomatoes using Raman spectroscopy.

Science.gov (United States)

Hara, Risa; Ishigaki, Mika; Kitahama, Yasutaka; Ozaki, Yukihiro; Genkawa, Takuma

2018-08-30

The difference in Raman spectra for different excitation wavelengths (532 nm, 785 nm, and 1064 nm) was investigated to identify an appropriate wavelength for the quantitative analysis of carotenoids in tomatoes. For the 532 nm-excited Raman spectra, the intensity of the peak assigned to the carotenoid has no correlation with carotenoid concentration, and the peak shift reflects carotenoid composition changing from lycopene to β-carotene and lutein. Thus, 532 nm-excited Raman spectra are useful for the qualitative analysis of carotenoids. For the 785 nm- and 1064 nm-excited Raman spectra, the peak intensity of the carotenoid showed good correlation with carotenoid concentration; thus, regression models for carotenoid concentration were developed using these Raman spectra and partial least squares regression. A regression model designed using the 785 nm-excited Raman spectra showed a better result than the 532 nm- and 1064 nm-excited Raman spectra. Therefore, it can be concluded that 785 nm is the most suitable excitation wavelength for the quantitative analysis of carotenoid concentration in tomatoes. Copyright © 2018 Elsevier Ltd. All rights reserved.

TDA's validity to study 18O collectivity in terms of collective pair model

International Nuclear Information System (INIS)

Gao Yuanyi; Vitturi, A.; Catara, F.; Sambataro, M.

1991-01-01

Conclusion proved that if the authors calculate 18 O collective spectra in terms of the Collective Pair Model, the authors can get the positive low laying levels of 18 O which are of the particle particle pair, independent on the excitation of hole within closed shell. 1 - low laying levels are of non-collective 3 particle 1 hole states. 1 - fourth level is of collective 3 particle 1 hole states. 3 - low laying levels are of collective 3 particle 1 hole states. 1 - , 3 - low laying levels agree very well with the experiment data. Hence the TDA is sufficient for the calculations of 1 - ,3 - collective low levels of 18 O

Collective electronic excitations in C60 crystals

International Nuclear Information System (INIS)

Wu, X.; Ulloa, S.E.

1994-01-01

We present a theoretical study of the electronic excitations in fullerene crystals by calculating the density-density correlation function in a fully nonlocal linear response theory. Our results indicate that the collective features associates with the π→π * transitions show strong anisotropic properties, with peaks changing by as much as 0.7 eV in different directions. Meanwhile, the calculated mode dispersion exhibits rather weak wave-number dependence along a given direction, in general agreement with experimental results. The oscillator strength also shows anisotropic behavior, with significant weight redistribution for different directions. We also analyze this system in terms of a classical point-dipole array model, and show that this simple model approximates well the quantum results

Sensitivity of nonlinear photoionization to resonance substructure in collective excitation

Science.gov (United States)

Mazza, T.; Karamatskou, A.; Ilchen, M.; Bakhtiarzadeh, S.; Rafipoor, A. J.; O'Keeffe, P.; Kelly, T. J.; Walsh, N.; Costello, J. T.; Meyer, M.; Santra, R.

2015-01-01

Collective behaviour is a characteristic feature in many-body systems, important for developments in fields such as magnetism, superconductivity, photonics and electronics. Recently, there has been increasing interest in the optically nonlinear response of collective excitations. Here we demonstrate how the nonlinear interaction of a many-body system with intense XUV radiation can be used as an effective probe for characterizing otherwise unresolved features of its collective response. Resonant photoionization of atomic xenon was chosen as a case study. The excellent agreement between experiment and theory strongly supports the prediction that two distinct poles underlie the giant dipole resonance. Our results pave the way towards a deeper understanding of collective behaviour in atoms, molecules and solid-state systems using nonlinear spectroscopic techniques enabled by modern short-wavelength light sources. PMID:25854939

‘Which-way’ collective atomic spin excitation among atomic ensembles by photon indistinguishability

International Nuclear Information System (INIS)

Zhang Guowan; Bian Chenglin; Chen, L Q; Ou, Z Y; Zhang Weiping

2012-01-01

In spontaneous Raman scattering in an atomic ensemble, a collective atomic spin wave is created in correlation with the Stokes field. When the Stokes photons from two or more such atomic ensembles are made indistinguishable, a ‘which-way’ collective atomic spin excitation is generated among the independent atomic ensembles. We demonstrate this phenomenon experimentally by reading out the atomic spin excitations and observing interference between the read-out beams. When a single-photon projective measurement is made on the indistinguishable Stokes photons, this simple scheme can be used to entangle independent atomic ensembles. Compared to other currently used methods, this scheme can be easily scaled up and has greater efficiency. (paper)

Raman spectra of filled carbon nanotubes

International Nuclear Information System (INIS)

Bose, S.M.; Behera, S.N.; Sarangi, S.N.; Entel, P.

2004-01-01

The Raman spectra of a metallic carbon nanotube filled with atoms or molecules have been investigated theoretically. It is found that there will be a three way splitting of the main Raman lines due to the interaction of the nanotube phonon with the collective excitations (plasmons) of the conduction electrons of the nanotube as well as its coupling with the phonon of the filling material. The positions and relative strengths of these Raman peaks depend on the strength of the electron-phonon interaction, phonon frequency of the filling atom and the strength of interaction of the nanotube phonon and the phonon of the filling atoms. Careful experimental studies of the Raman spectra of filled nanotubes should show these three peaks. It is also shown that in a semiconducting nanotube the Raman line will split into two and should be observed experimentally

Free electrons and ionic liquids: study of excited states by means of electron-energy loss spectroscopy and the density functional theory multireference configuration interaction method.

Science.gov (United States)

Regeta, Khrystyna; Bannwarth, Christoph; Grimme, Stefan; Allan, Michael

2015-06-28

The technique of low energy (0-30 eV) electron impact spectroscopy, originally developed for gas phase molecules, is applied to room temperature ionic liquids (IL). Electron energy loss (EEL) spectra recorded near threshold, by collecting 0-2 eV electrons, are largely continuous, assigned to excitation of a quasi-continuum of high overtones and combination vibrations of low-frequency modes. EEL spectra recorded by collecting 10 eV electrons show predominantly discrete vibrational and electronic bands. The vibrational energy-loss spectra correspond well to IR spectra except for a broadening (∼0.04 eV) caused by the liquid surroundings, and enhanced overtone activity indicating a contribution from resonant excitation mechanism. The spectra of four representative ILs were recorded in the energy range of electronic excitations and compared to density functional theory multireference configuration interaction (DFT/MRCI) calculations, with good agreement. The spectra up to about 8 eV are dominated by π-π* transitions of the aromatic cations. The lowest bands were identified as triplet states. The spectral region 2-8 eV was empty in the case of a cation without π orbitals. The EEL spectrum of a saturated solution of methylene green in an IL band showed the methylene green EEL band at 2 eV, indicating that ILs may be used as a host to study nonvolatile compounds by this technique in the future.

Pairing and deformation effects in nuclear excitation spectra

Energy Technology Data Exchange (ETDEWEB)

Repko, A. [Slovak Academy of Sciences, Institute of Physics, Bratislava (Slovakia); Kvasil, J. [Charles University, Institute of Particle and Nuclear Physics, Prague (Czech Republic); Nesterenko, V.O. [Joint Institute for Nuclear Research, Laboratory of Theoretical Physics, Dubna (Russian Federation); State University ' ' Dubna' ' , Dubna (Russian Federation); Reinhard, P.G. [Universitaet Erlangen, Institut fuer Theoretische Physik II, Erlangen (Germany)

2017-11-15

We investigate effects of pairing and of quadrupole deformation on two sorts of nuclear excitations, γ-vibrational K{sup π} = 2{sup +} states and dipole resonances (isovector dipole, pygmy, compression, toroidal). The analysis is performed within the quasiparticle random phase approximation (QRPA) based on the Skyrme energy functional using the Skyrme parametrization SLy6. Particular attention is paid to i) the role of the particle-particle (pp) channel in the residual interaction of QRPA, ii) comparison of volume pairing (VP) and surface pairing (SP), iii) peculiarities of deformation splitting in the various resonances. We find that the impact of the pp-channel on the considered excitations is negligible. This conclusion applies also to any other excitation except for the K{sup π} = 0{sup +} states. Furthermore, the difference between VP and SP is found small (with exception of peak height in the toroidal mode). In the low-energy isovector dipole (pygmy) and isoscalar toroidal modes, the branch K{sup π} = 1{sup -} is shown to dominate over the K{sup π} = 0{sup -} one in the range of excitation energy E < 8-10 MeV. The effect becomes impressive for the toroidal resonance whose low-energy part is concentrated in a high peak of almost pure K{sup π} = 1{sup -} nature. This peculiarity may be used as a fingerprint of the toroidal mode in future experiments. The interplay between pygmy, toroidal and compression resonances is discussed, the interpretation of the observed isoscalar giant dipole resonance is partly revised. (orig.)

Estimation of ground and excited state dipole moment of laser dyes C504T and C521T using solvatochromic shifts of absorption and fluorescence spectra.

Science.gov (United States)

Basavaraja, Jana; Suresh Kumar, H M; Inamdar, S R; Wari, M N

2016-02-05

The absorption and fluorescence spectra of laser dyes: coumarin 504T (C504T) and coumarin 521T (C521T) have been recorded at room temperature in a series of non-polar and polar solvents. The spectra of these dyes showed bathochromic shift with increasing in solvent polarity indicating the involvement of π→π⁎ transition. Kamlet-Taft and Catalan solvent parameters were used to analyze the effect of solvents on C504T and C521T molecules. The study reveals that both general solute-solvent interactions and specific interactions are operative in these two systems. The ground state dipole moment was estimated using Guggenheim's method and also by quantum mechanical calculations. The solvatochromic data were used to determine the excited state dipole moment (μ(e)). It is observed that dipole moment value of excited state (μ(e)) is higher than that of the ground state in both the laser dyes indicating that these dyes are more polar in nature in the excited state than in the ground state. Copyright © 2015. Published by Elsevier B.V.

Resonance Raman and surface-enhanced resonance Raman spectra of LH2 antenna complex from Rhodobacter sphaeroides and Ectothiorhodospira sp. excited in the Qx and Qy transitions.

Science.gov (United States)

Chumanov, G; Picorel, R; Ortiz de Zarate, I; Cotton, T M; Seibert, M

2000-05-01

Well-resolved vibrational spectra of LH2 complex isolated from two photosynthetic bacteria, Rhodobacter sphaeroides and Ectothiorhodospira sp., were obtained using surface-enhanced resonance Raman scattering (SERRS) exciting into the Qx and the Qy transitions of bacteriochlorophyll a. High-quality SERRS spectra in the Qy region were accessible because the strong fluorescence background was quenched near the roughened Ag surface. A comparison of the spectra obtained with 590 nm and 752 nm excitation in the mid- and low-frequency regions revealed spectral differences between the two LH2 complexes as well as between the LH2 complexes and isolated bacteriochlorophyll a. Because peripheral modes of pigments contribute mainly to the low-frequency spectral region, frequencies and intensities of many vibrational bands in this region are affected by interactions with the protein. The results demonstrate that the microenvironment surrounding the pigments within the two LH2 complexes is somewhat different, despite the fact that the complexes exhibit similar electronic absorption spectra. These differences are most probably due to specific pigment-pigment and pigment-protein interactions within the LH2 complexes, and the approach might be useful for addressing subtle static and dynamic structural variances between pigment-protein complexes from different sources or in complexes altered chemically or genetically.

Probability of collective excited state decay

International Nuclear Information System (INIS)

Manykin, Eh.A.; Ozhovan, M.I.; Poluehktov, P.P.

1987-01-01

Decay mechanisms of condensed excited state formed of highly excited (Rydberg) atoms are considered, i.e. stability of so-called Rydberg substance is analyzed. It is shown that Auger recombination and radiation transitions are the basic processes. The corresponding probabilities are calculated and compared. It is ascertained that the ''Rydberg substance'' possesses macroscopic lifetime (several seconds) and in a sense it is metastable

Evaluation of Shifted Excitation Raman Difference Spectroscopy and Comparison to Computational Background Correction Methods Applied to Biochemical Raman Spectra.

Science.gov (United States)

Cordero, Eliana; Korinth, Florian; Stiebing, Clara; Krafft, Christoph; Schie, Iwan W; Popp, Jürgen

2017-07-27

Raman spectroscopy provides label-free biochemical information from tissue samples without complicated sample preparation. The clinical capability of Raman spectroscopy has been demonstrated in a wide range of in vitro and in vivo applications. However, a challenge for in vivo applications is the simultaneous excitation of auto-fluorescence in the majority of tissues of interest, such as liver, bladder, brain, and others. Raman bands are then superimposed on a fluorescence background, which can be several orders of magnitude larger than the Raman signal. To eliminate the disturbing fluorescence background, several approaches are available. Among instrumentational methods shifted excitation Raman difference spectroscopy (SERDS) has been widely applied and studied. Similarly, computational techniques, for instance extended multiplicative scatter correction (EMSC), have also been employed to remove undesired background contributions. Here, we present a theoretical and experimental evaluation and comparison of fluorescence background removal approaches for Raman spectra based on SERDS and EMSC.

He-like spectra from laboratory plasmas and solar flares

International Nuclear Information System (INIS)

Kato, Takako

1990-01-01

The X-ray spectra of He-like ions from tokamaks and solar flares have been measured. Several physical parameters of plasma can be derived from the X-ray spectra of He-like ions. The ion temperature can be derived from the doppler width of a resonance line. The electron temperature is obtained from the intensity ratio of dielectronic satellite lines to a resonance line. The energy level for the prominent lines is shown. The line q is produced mainly by the inner-shell excitation of Li-like ions, and line beta is produced by the inner-shell excitation of Be-like ions. The intensity ratios give the ion density ratios. The intensities of the intercombination and the forbidden lines are affected by the recombination from H-like ions. The synthetic spectra including excitation, ionization and recombination processes are fitted to the measurement. In this paper, the He-like X-ray spectra of the titanium ions from TFTR tokamak plasma and of the iron ions from solar flares are discussed, paying attention to the presence of high energy electrons which affect the spectra and ionization balance. Atomic data, the spectra from the TFTR tokamak, the spectra from solar flares and so on are described. (K.I.)

Collective Excitations in Protein as a Measure of Balance Between its Softness and Rigidity

International Nuclear Information System (INIS)

Shrestha, Utsab R.; Bhowmik, Debsindhu; Van Delinder, Kurt W.; Mamontov, Eugene; O’Neill, Hugh

2017-01-01

Here, we elucidate the protein activity from the perspective of protein softness and flexibility by studying the collective phonon-like excitations in a globular protein, human serum albumin (HSA), and taking advantage of the state-of-the-art inelastic X-ray scattering (IXS) technique. Such excitations demonstrate that the protein becomes softer upon thermal denaturation due to disruption of weak noncovalent bonds. On the other hand, no significant change in the local excitations is detected in ligand- (drugs) bound HSA compared to the ligand-free HSA. These results clearly suggest that the protein conformational flexibility and rigidity are balanced by the native protein structure for biological activity.

Collective Excitations in Protein as a Measure of Balance Between its Softness and Rigidity

Energy Technology Data Exchange (ETDEWEB)

Shrestha, Utsab R. [Wayne State Univ., Detroit, MI (United States). Dept. of Physics and Astronomy; Bhowmik, Debsindhu [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Computational Science and Engineering Division; Van Delinder, Kurt W. [Wayne State Univ., Detroit, MI (United States). Dept. of Physics and Astronomy; Mamontov, Eugene [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Chemical and Engineering Materials Division; O’Neill, Hugh [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Biology and Soft Matter Division; Zhang, Qiu [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Biology and Soft Matter Division; Alatas, Ahmet [Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source; Chu, Xiang-Qiang [Wayne State Univ., Detroit, MI (United States). Dept. of Physics and Astronomy

2017-01-12

Here, we elucidate the protein activity from the perspective of protein softness and flexibility by studying the collective phonon-like excitations in a globular protein, human serum albumin (HSA), and taking advantage of the state-of-the-art inelastic X-ray scattering (IXS) technique. Such excitations demonstrate that the protein becomes softer upon thermal denaturation due to disruption of weak noncovalent bonds. On the other hand, no significant change in the local excitations is detected in ligand- (drugs) bound HSA compared to the ligand-free HSA. These results clearly suggest that the protein conformational flexibility and rigidity are balanced by the native protein structure for biological activity.

Paradigms and challenges for bioapplication of rare earth upconversion luminescent nanoparticles: small size and tunable emission/excitation spectra.

Science.gov (United States)

Sun, Ling-Dong; Wang, Ye-Fu; Yan, Chun-Hua

2014-04-15

Rare earth (RE) materials, which are excited in the ultraviolet and emit in the visible light spectrum, are widely used as phosphors for lamps and displays. In the 1960's, researchers reported an abnormal emission phenomenon where photons emitted from a RE element carried more energy than those absorbed, owing to the sequential energy transfer between two RE ions--Yb(3+)-sensitized Er(3+) or Tm(3+)--in the solid state. After further study, researchers named this abnormal emission phenomenon upconversion (UC) emission. More recent approaches take advantage of solution-based synthesis, which allows creation of homogenous RE nanoparticles (NPs) with controlled size and structure that are capable of UC emission. Such nanoparticles are useful for many applications, especially in biology. For these applications, researchers seek small NPs with high upconversion emission intensity. These UCNPs have the potential to have multicolor and tunable emissions via various activators. A vast potential for future development remains by developing molecular antennas and energy transfer within RE ions. We expect UCNPs with optimized spectra behavior to meet the increasing demand of potential applications in bioimaging, biological detection, and light conversion. This Account focuses on efforts to control the size and modulate the spectra of UCNPs. We first review efforts in size control. One method is careful control of the synthesis conditions to manipulate particle nucleation and growth, but more recently researchers have learned that the doping conditions can affect the size of UCNPs. In addition, constructing homogeneous core/shell structures can control nanoparticle size by adjusting the shell thickness. After reviewing size control, we consider how diverse applications impose different requirements on excitation and/or emission photons and review recent developments on tuning of UC spectral profiles, especially the extension of excitation/emission wavelengths and the adjustment

On the origin of excimer emission in electroluminescence and photoluminescence spectra of polyfluorenes

International Nuclear Information System (INIS)

Vacha, Martin; Ha, Jaekook; Sato, Hisaya

2007-01-01

We report a study on the differences in red-shifted excimer band in photoluminescence (PL) and electroluminescence (EL) spectra of thin films of a copolymer of dibutylfluorene and butylphenylphenoxazine. The relative intensity of the excimer band in PL spectra increases with temperature above the polymer glass transition, and with the intensity of the excitation light. In EL spectra, on the other hand, the relative excimer intensity is seen to decrease with increasing driving voltage. These opposite trends originate from the different nature of excitations in PL and EL spectra: photoexcitation directly creates singlet excitons while electric excitation proceeds via interaction of injected electrons and holes. In case of electric excitation, the observed results might be due to trap-assisted excimer formation

Collective spin wave and phonon excitations in ferromagnetic organic polymers

International Nuclear Information System (INIS)

Leong, Jit-Liang; Sun, Shih-Jye

2013-01-01

We proposed a model to investigate the properties of a conductive and ferromagnetic organic-polymer (OCP), which contains two collective excitations—spin wave and phonon—competing with each other; namely, the spin wave excitation accompanies the electron–phonon (e–ph) interactions in the conductive and ferromagnetic OCP. The ferromagnetism of the OCP is induced from the conductive carriers which couple with the phonon to become polarons. Due to the competition between both excitations, the Curie temperature (T C ) is sensitively suppressed by the e–ph interaction. In addition, an optimal T C with a small e–ph interaction exists in a specific density of conduction carrier, yet is contrary to the large e–ph interaction case. Furthermore, the dimerization, i.e. the atomic displacement induced from the e–ph interactions, increases with the strength of the e–ph interaction and decreases upon reaching the maximum dimerization. (paper)

Autoionization spectra of He excited by fast (MeV) H/sup +/, He/sup +/, and Li/sup n+/ (n = 1,2,3) ions

Energy Technology Data Exchange (ETDEWEB)

Schneider, D.; Arcuni, P.; Bruch, P.; Stoeffler, W.

1983-01-01

Autoionization spectra of He following excitation by 1 to 3 MeV H/sup +/, He/sup +/, and Li/sup n+/ (n = 1,2,3) have been measured as a function of observation angle. The (2p/sup 2/)/sup 1/D and (2s2p)/sup 1/P resonances have been examined and a strong dependence on projectile velocities, charge state and observation angle was found.

Neutron emission spectra of excited 126–140Sn nuclei

International Nuclear Information System (INIS)

Aggarwal, Mamta; Rajasekaran, M.

2004-01-01

We investigate one-neutron and two-neutron emission from 132 Sn and its neighboring isotopes due to thermal excitation. The rotational states of 132 Sn at different temperatures are investigated. The effects of separation energy and thermal excitation energy on neutron emission probability are studied. (author)

Parametric conversion and maximally entangled photon pair via collective excitations in a cycle atomic ensemble

International Nuclear Information System (INIS)

Li, J.; Yu, R.; Yang, X.

2008-01-01

We study the propagation of two quantized optical fields via considering the collective effects of photonic emissions and excitations of a three-level cyclic-type system (such as atomic ensemble with symmetry broken, or the chiral molecular gases, or manual 'atomic' array with symmetry broken), where the quantum transitions is driven by two quantized fields and a classical one. The results show that the parametric conversion and maximally entangled photon pair generation can be achieved by means of the collective excitation of the two upper energy levels induced by the classic optical field. This investigation may be used for the generated coherent short-wavelength quantum radiation and quantum information processing

Collective excitations in circular atomic configurations and single-photon traps

International Nuclear Information System (INIS)

Hammer, Hanno

2004-01-01

Correlated excitations in a plane circular configuration of identical atoms with parallel dipole moments are investigated. The collective energy eigenstates, which are formally identical to Frenkel excitons, can be computed together with their level shifts and decay rates by decomposing the atomic state space into carrier spaces for the irreducible representations of the symmetry group Z N of the circle. It is shown that the index p of these representations can be used as a quantum number analogously to the orbital angular momentum quantum number l in hydrogenlike systems. Just as the hydrogen s states are the only electronic wave functions which can occupy the central region of the Coulomb potential, the quasiparticle corresponding to a collective excitation of the atoms in the circle can occupy the central atom only for vanishing Z N quantum number p. If a central atom is present, the p=0 state splits into two and shows level crossing at certain radii; in the regions between these radii, damped quantum beats between two 'extreme' p=0 configurations occur. The physical mechanisms behind super- and subradiance at a given radius are discussed. It is shown that, beyond a certain critical number of atoms in the circle, the lifetime of the maximally subradiant state increases exponentially with the number of atoms in the configuration, making the system a natural candidate for a single-photon trap

Collective vibrational spectra of α- and γ-glycine studied by terahertz and Raman spectroscopy

International Nuclear Information System (INIS)

Shi Yulei; Wang Li

2005-01-01

Terahertz time-domain spectroscopy is used to investigate the absorption and dispersion of polycrystalline α- and γ-glycine in the spectral region 0.5-3.0 THz. The spectra exhibit distinct features in these two crystalline phases. The observed far-infrared responses are attributed to intermolecular vibrational modes mediated by hydrogen bonds. We also measure the Raman spectra of the polycrystalline and dissolved glycine in the frequency range 28-3900 cm -1 . The results show that all the vibrational modes below 200 cm -1 are nonlocalized but are of a collective (phonon-like) nature. Furthermore, the temperature dependence of the Raman spectra of α-glycine agrees with the anharmonicity mechanism of the vibrational potentials

Energetic M1 transitions as a probe of nuclear collectivity at high temperatures

International Nuclear Information System (INIS)

Baktash, C.

1987-01-01

At ORNL, we have recently utilized the Spin Spectrometer setup to investigate the differential effects of increasing spin and excitation energy on nuclear shape and collectivity in 158 Yb. Along the yrast line of this and other N = 88 nuclei, weakly prolate shapes gradually give way to triaxial, and then finally to non-collective oblate shapes as the spin approaches 40 h-bar. However, above the yrast line, large deformation and collectivity once again sets in. This is evidenced by the emergence of a broad quadrupole structure (E/sub γ/ ≅ 1.2 MeV) in the continuum gamma-ray spectra that grows with increasing temperature. The short (sub ps) lifetimes of these transitions attest to the collective nature of these structures. The emergence and growth of the quadrupole structure at high excitation energies is closely correlated with the appearance of energetic (E/sub γ/ ≅ 2.5 MeV), fast M1 transitions which form another broad structure in the continuum spectra. From the centroid of the M1 bump, a quadrupole deformation parameter of 0.35 is inferred. Because of this sensitivity, these energetic M1 transitions provide a unique probe of nuclear shape in the excitation energy range of ≅ 3 to 10 MeV. 6 refs., 2 figs

Kinetics studies following state-selective laser excitation

International Nuclear Information System (INIS)

Keto, J.W.

1994-04-01

The objective of this contract was the study of state-to-state, electronic energy transfer reactions relevant to the excited state chemistry observed in discharges. We studied deactivation reactions and excitation transfer in collisions of excited states of xenon and krypton atoms with Ar, Kr, Xe and chlorine. The reactant states were excited selectively in two-photon transitions using tunable u.v. and v.u.v. lasers. Excited states produced by the collision were observed by their fluorescence. Reaction rates were measured by observing the time dependent decay of signals from reactant and product channels. In addition we measured interaction potentials of the reactants by laser spectroscopy where the laser induced fluorescence or ionization is measured as a function of laser wavelength (excitation spectra) or by measuring fluorescence spectra at fixed laser frequencies with monochromators. The spectra were obtained in the form of either lineshapes or individual lines from rovibrational transitions of bound states. Our research then required several categories of experiments in order to fully understand a reaction process: 1. High resolution laser spectroscopy of bound molecules or lineshapes of colliding pairs is used to determine potential curves for reactants. 2. Direct measurements of state-to-state reaction rates were measured by studying the time dependent loss of excited reactants and the time dependent formation of products. 3. The energy selectivity of a laser can be used to excite reactants on an excited surface with controlled internuclear configurations. For free states of reactants (as exist in a gas cell) this has been termed laser assisted reactions, while for initially bound states (as chemically bound reactants or dimers formed in supersonic beams) the experiments have been termed photo-fragmentation spectroscopy

Two-photon excitation spectroscopy of carotenoid-containing and carotenoid-depleted LH2 complexes from purple bacteria.

Science.gov (United States)

Stepanenko, Ilya; Kompanetz, Viktor; Makhneva, Zoya; Chekalin, Sergey; Moskalenko, Andrei; Razjivin, Andrei

2009-08-27

We applied two-photon fluorescence excitation spectroscopy to LH2 complex from purple bacteria Allochromatium minutissimum and Rhodobacter sphaeroides . Bacteriochlorophyll fluorescence was measured under two-photon excitation of the samples within the 1200-1500 nm region. Spectra were obtained for both carotenoid-containing and -depleted complexes of each bacterium to allow their direct comparison. The depletion of carotenoids did not alter the two-photon excitation spectra of either bacteria. The spectra featured a wide excitation band around 1350 nm (2x675 nm, 14,800 cm(-1)) which strongly resembled two-photon fluorescence excitation spectra of similar complexes published by other authors. We consider obtained experimental data to be evidence of direct two-photon excitation of bacteriochlorophyll excitonic states in this spectral region.

Quantification of plasmon excitations in core-level photoemission

International Nuclear Information System (INIS)

Yubero, F.; Tougaard, S.

2005-01-01

Calculation of photoelectron spectra (PES) based on our previous dielectric response model [A. C. Simonsen et al. Phys. Rev. B 56, 1612 (1997)] for electronic excitations in PES are compared with recently reported experimental data. It is found that the dielectric description of electron energy losses in photoemission reproduces quantitatively the angular dependence of the surface and bulk electron losses observed experimentally for the Al2s photoemission spectra of Al(111), excited with MgKα radiation. The model also allows to calculate the separate intrinsic and extrinsic effects in photoemission. Thus, the extrinsic losses account for more than 95% of the total surface excitations. Regarding the bulk excitations, both extrinsic and intrinsic contributions vary significantly with emission angle. The intrinsic contribution represents ∼35% of the intensity at the bulk plasmon position at normal emission while only 18% at 80 deg. glancing emission. The calculations presented here can easily be used to interpret PES spectra of other materials in terms of intrinsic and extrinsic effects, if their dielectric properties are known

Electronic spectra from TDDFT and machine learning in chemical space

International Nuclear Information System (INIS)

Ramakrishnan, Raghunathan; Hartmann, Mia; Tapavicza, Enrico; Lilienfeld, O. Anatole von

2015-01-01

Due to its favorable computational efficiency, time-dependent (TD) density functional theory (DFT) enables the prediction of electronic spectra in a high-throughput manner across chemical space. Its predictions, however, can be quite inaccurate. We resolve this issue with machine learning models trained on deviations of reference second-order approximate coupled-cluster (CC2) singles and doubles spectra from TDDFT counterparts, or even from DFT gap. We applied this approach to low-lying singlet-singlet vertical electronic spectra of over 20 000 synthetically feasible small organic molecules with up to eight CONF atoms. The prediction errors decay monotonously as a function of training set size. For a training set of 10 000 molecules, CC2 excitation energies can be reproduced to within ±0.1 eV for the remaining molecules. Analysis of our spectral database via chromophore counting suggests that even higher accuracies can be achieved. Based on the evidence collected, we discuss open challenges associated with data-driven modeling of high-lying spectra and transition intensities

Electronic spectra from TDDFT and machine learning in chemical space

Energy Technology Data Exchange (ETDEWEB)

Ramakrishnan, Raghunathan [Institute of Physical Chemistry and National Center for Computational Design and Discovery of Novel Materials, Department of Chemistry, University of Basel, Klingelbergstrasse 80, CH-4056 Basel (Switzerland); Hartmann, Mia; Tapavicza, Enrico, E-mail: Enrico.Tapavicza@csulb.edu [Department of Chemistry and Biochemistry, California State University, 1250 Bellflower Boulevard, Long Beach, California 90840 (United States); Lilienfeld, O. Anatole von, E-mail: anatole.vonlilienfeld@unibas.ch [Institute of Physical Chemistry and National Center for Computational Design and Discovery of Novel Materials, Department of Chemistry, University of Basel, Klingelbergstrasse 80, CH-4056 Basel (Switzerland); Argonne Leadership Computing Facility, Argonne National Laboratory, 9700 S. Cass Avenue, Lemont, Illinois 60439 (United States)

2015-08-28

Due to its favorable computational efficiency, time-dependent (TD) density functional theory (DFT) enables the prediction of electronic spectra in a high-throughput manner across chemical space. Its predictions, however, can be quite inaccurate. We resolve this issue with machine learning models trained on deviations of reference second-order approximate coupled-cluster (CC2) singles and doubles spectra from TDDFT counterparts, or even from DFT gap. We applied this approach to low-lying singlet-singlet vertical electronic spectra of over 20 000 synthetically feasible small organic molecules with up to eight CONF atoms. The prediction errors decay monotonously as a function of training set size. For a training set of 10 000 molecules, CC2 excitation energies can be reproduced to within ±0.1 eV for the remaining molecules. Analysis of our spectral database via chromophore counting suggests that even higher accuracies can be achieved. Based on the evidence collected, we discuss open challenges associated with data-driven modeling of high-lying spectra and transition intensities.

Effect of collective response on electron capture and excitation in collisions of highly charged ions with fullerenes.

Science.gov (United States)

Kadhane, U; Misra, D; Singh, Y P; Tribedi, Lokesh C

2003-03-07

Projectile deexcitation Lyman x-ray emission following electron capture and K excitation has been studied in collisions of bare and Li-like sulphur ions (of energy 110 MeV) with fullerenes (C(60)/C(70)) and different gaseous targets. The intensity ratios of different Lyman x-ray lines in collisions with fullerenes are found to be substantially lower than those for the gas targets, both for capture and excitation. This has been explained in terms of a model based on "solidlike" effect, namely, wakefield induced stark mixing of the excited states populated via electron capture or K excitation: a collective phenomenon of plasmon excitation in the fullerenes under the influence of heavy, highly charged ions.

Microscopic structure of a new type of collective excitation in odd-mass Mo, Ru, I, Cs and La isotopes

International Nuclear Information System (INIS)

Kuriyama, Atsushi; Okamoto, Ryoji; Marumori, Toshio; Matsuyanagi, Kenichi.

1975-01-01

With the aid of microscopic theory of collective excitations in spherical odd-mass nuclei proposed by Kuriyama, Marumori and Matsuyanagi, structures of low-lying collective 5/2 + states in odd-mass I, Cs and La isotopes and of collective 3/2 + states in odd-mass Mo and Ru isotopes are investigated. These collective 5/2 + and 3/2 + states, which are hard to understand within the framework of the conventional quasi-particle-phonon-coupling theory, are identified as a new kind of fermion-type collective excitation mode. The change in microscopic structure of these states depending on the mass number is also investigated in relation with the shell structure. (auth.)

Excitations of Bose-Einstein condensates at finite temperatures

International Nuclear Information System (INIS)

Rusch, M.

2000-01-01

Recent experimental observations of collective excitations of Bose condensed atomic vapours have stimulated interest in the microscopic description of the dynamics of a Bose-Einstein condensate confined in an external potential. We present a finite temperature field theory for collective excitations of trapped Bose-Einstein condensates and use a finite-temperature linear response formalism, which goes beyond the simple mean-field approximation of the Gross-Pitaevskii equation. The effect of the non-condensed thermal atoms we include using perturbation theory in a quasiparticle basis. This presents a simple scheme to understand the interaction between condensate and non-condensed atoms and enables us to include the effect the condensate has on collision dynamics. At first we limit our treatment to the case of a spatially homogeneous Bose gas. We include the effect of pair and triplet anomalous averages and thus obtain a gapless theory for the excitations of a weakly interacting system, which we can link to well known results for Landau and Beliaev damping rates. A gapless theory for trapped systems with a static thermal component follows straightforwardly. We then investigate finite temperature excitations of a condensate in a spherically symmetric harmonic trap. We avoid approximations to the density of states and thus emphasise finite size aspects of the problem. We show that excitations couple strongly to a restricted number of modes, giving rise to resonance structure in their frequency spectra. Where possible we derive energy shifts and lifetimes of excitations. For one particular mode, the breathing mode, the effects of the discreteness of the system are sufficiently pronounced that the simple picture of an energy shift and width fails. Experiments in spherical traps have recently become feasible and should be able to test our detailed quantitative predictions. (author)

Excitation and recombination of donor-acceptor pairs in ZnTe

International Nuclear Information System (INIS)

Nakashima, S.; Yasuda, S.

1979-01-01

The photoluminescence spectra and its excitation spectra of the donor-acceptor pairs are observed in ZnTe crystals doped with Li and As in the region below the bandgap energy. The relaxation of electrons and holes into the first excited state of d-a pairs is studied for the three excitation processes: (1) bound-to-bound transitions, (2) bound-to-free transitions, and (3) free-to-free transitions. It is concluded that most of the electrons and holes at the excited states of each impurity level are relaxed rapidly into their ground states before the occurrence of the recombination involving the excited states. For the excitation process (2), conduction electrons are preferentially trapped by positively charged pairs. The redistribution of bound holes by hopping is suggested to explain the broad d-a emission band observed for the bound-to-free excitation for very distant pairs. (author)

Dependence of the giant dipole strength function on excitation energy

International Nuclear Information System (INIS)

Draper, J.E.; Newton, J.O.; Sobotka, L.G.; Lindenberger, H.; Wozniak, G.J.; Moretto, L.G.; Stephens, F.S.; Diamond, R.M.; McDonald, R.J.

1982-01-01

Spectra of γ rays associated with deep-inelastic products from the 1150-MeV 136 Xe+ 181 Ta reaction have been measured. The yield of 10--20-MeV γ rays initially increases rapidly with the excitation energy of the products and then more slowly for excitation energies in excess of 120 MeV. Statistical-model calculations with ground-state values of the giant dipole strength function fail to reproduce the shape of the measured γ-ray spectra. This suggests a dependence of the giant dipole strength function on excitation energy

Sound-like collective mode excitation with pion absorption in nuclear matter

International Nuclear Information System (INIS)

Qiu Xijiun; Shen Jianguo; Huang Lingfang

1985-01-01

The relativistic mean field theory consistent with bulk properties of nuclear matter is extended to study the excitations of the sound-like collective modes in nuclear matter. Corresponding relativistic mean field equations are solved numerically and self-consistently. The effective mass of nucleon, the speed of the sound and the amplitude of the sound-like solution are calculated. When the nuclear density is near or greater than the saturation density, the sound-like non-trivial solution could be found

Excited-State Dynamics of Oxyluciferin in Firefly Luciferase

KAUST Repository

Snellenburg, Joris J.; Laptenok, Sergey P.; DeSa, Richard J.; Naumov, Pance; Solntsev, Kyril M.

2016-01-01

The color variations of light emitted by some natural and mutant luciferases are normally attributed to collective factors referred to as microenvironment effects; however, the exact nature of these interactions between the emitting molecule (oxyluciferin) and the active site remains elusive. Although model studies of noncomplexed oxyluciferin and its variants have greatly advanced the understanding of its photochemistry, extrapolation of the conclusions to the real system requires assumptions about the polarity and proticity of the active site. To decipher the intricate excited-state dynamics, global and target analysis is performed here for the first time on the steady-state and time-resolved spectra of firefly oxyluciferin complexed with luciferase from the Japanese firefly (Luciola cruciata). The experimental steady-state and time resolved luminescence spectra of the oxyluciferin/luciferase complex in solution are compared with the broadband time-resolved firefly bioluminescence recorded in vivo. The results demonstrate that de-excitation of the luminophore results in a complex cascade of photoinduced proton transfer processes and can be interpreted by the pH dependence of the emitted light. It is confirmed that proton transfer is the central event in the spectrochemistry of this system for which any assignment of the pH dependent emission to a single chemical species would be an oversimplification.

Excited-State Dynamics of Oxyluciferin in Firefly Luciferase

KAUST Repository

Snellenburg, Joris J.

2016-11-23

The color variations of light emitted by some natural and mutant luciferases are normally attributed to collective factors referred to as microenvironment effects; however, the exact nature of these interactions between the emitting molecule (oxyluciferin) and the active site remains elusive. Although model studies of noncomplexed oxyluciferin and its variants have greatly advanced the understanding of its photochemistry, extrapolation of the conclusions to the real system requires assumptions about the polarity and proticity of the active site. To decipher the intricate excited-state dynamics, global and target analysis is performed here for the first time on the steady-state and time-resolved spectra of firefly oxyluciferin complexed with luciferase from the Japanese firefly (Luciola cruciata). The experimental steady-state and time resolved luminescence spectra of the oxyluciferin/luciferase complex in solution are compared with the broadband time-resolved firefly bioluminescence recorded in vivo. The results demonstrate that de-excitation of the luminophore results in a complex cascade of photoinduced proton transfer processes and can be interpreted by the pH dependence of the emitted light. It is confirmed that proton transfer is the central event in the spectrochemistry of this system for which any assignment of the pH dependent emission to a single chemical species would be an oversimplification.

Electronic spectra of azaindole and its excited state mixing: A symmetry-adapted cluster configuration interaction study

Energy Technology Data Exchange (ETDEWEB)

Arulmozhiraja, Sundaram, E-mail: raja@cat.hokudai.ac.jp; Coote, Michelle L. [ARC Centre of Excellence for Electromaterials Science, Research School of Chemistry, The Australian National University, Canberra, 2601 ACT (Australia); Hasegawa, Jun-ya [Institute for Catalysis, Hokkaido University, Kita 21, Nishi 10, Kita-Ku, Sapporo 001-0021 (Japan)

2015-11-28

Electronic structures of azaindole were studied using symmetry-adapted cluster configuration interaction theory utilizing Dunning’s cc-pVTZ basis set augmented with appropriate Rydberg spd functions on carbon and nitrogen atoms. The results obtained in the present study show good agreement with the available experimental values. Importantly, and contrary to previous theoretical studies, the excitation energy calculated for the important n–π{sup ∗} state agrees well with the experimental value. A recent study by Pratt and co-workers concluded that significant mixing of π-π{sup ∗} and n-π{sup ∗} states leads to major change in the magnitude and direction of the dipole moment of the upper state vibrational level in the 0,0 + 280 cm{sup −1} band in the S{sub 1}←S{sub 0} transition when compared to that of the zero-point level of the S{sub 1} state. The present study, however, shows that all the four lowest lying excited states, {sup 1}L{sub b} π-π{sup ∗}, {sup 1}L{sub a} π-π{sup ∗}, n-π{sup ∗}, and π-σ{sup ∗}, cross each other in one way or another, and hence, significant state mixing between them is likely. The upper state vibrational level in the 0,0 + 280 cm{sup −1} band in the S{sub 1}←S{sub 0} transition benefits from this four-state mixing and this can explain the change in magnitude and direction of the dipole moment of the S{sub 1} excited vibrational level. This multistate mixing, and especially the involvement of π-σ{sup ∗} state in mixing, could also provide a route for hydrogen atom detachment reactions. The electronic spectra of benzimidazole, a closely related system, were also investigated in the present study.

A disordered polaron model for polarized fluorescence excitation spectra of LH1 and LH2 bacteriochlorophyll antenna aggregates

International Nuclear Information System (INIS)

Trinkunas, Gediminas; Freiberg, Arvi

2006-01-01

Excitonic polarons in antenna complexes are subject to static lattice disorder. A model has been developed to analyze polarized fluorescence excitation spectra of circular light-harvesting complexes from purple photosynthetic bacteria containing bacteriochlorophyll as the main photoactive pigment that includes both diagonal (energetic) and off-diagonal (structural) disorders. Essential differences of disorder realizations seem to exist between the core LH1 and peripheral LH2 complexes from the bacterium Rhodobacter sphaeroides. The disorder in LH1 appears to be dominated by the structural disorder, while that in LH2, by energetic one. These differences may be due to relatively bigger size of the LH1 complex and, consequently, with its enhanced structural flexibility

Excited State s-cis Rotamers Produced by Extreme Red Edge Excitation of all-trans-1,4-Diphenyl-1,3-butadiene

DEFF Research Database (Denmark)

Wallace-Williams, Stacie E.; Møller, Søren; Goldbeck, Robert A.

1993-01-01

with the wavelength independence observed for the excited singlet-state absorption and fluorescence emission spectra of 1,5-diphenyl-2,3,4,6,7,8- hexahydronaphthalene and for the fluorescence emission spectra of 1,4diphenyl-1,3-cyclopentadiene, s-trans and s-cis structural analogs of DPB, respectively. The spectral...... changes in DPB can be explained in terms of an excitation wavelength-dependent production of s-cis and s-trans rotamer populations in the excited state. The DPB fluorescence emission spectrum was resolved into s-cis and s-trans components. The vibronic structure of the s-cis fluorescence spectrum...... is similar to that of s-trans, but the band origin is red-shifted and there is a slightly larger amplitude on the red edge. The excited-state absorption spectrum of s-cis DPB appears to be red-shifted relative to that of s-trans DPB as well....

Combination spectra in long-period variable stars

International Nuclear Information System (INIS)

Bruce, C.E.R.

1975-01-01

The electrical discharge theory of the variation in excitation observed in the atmosphere of the long period variable stars offers an explanation for the combination spectra exhibited by many of these stars, which is shown to be in accord with several of the most outstanding changes in their spectra and magnitude. (author)

Collective density excitations in liquid sodium

International Nuclear Information System (INIS)

Sharma, R.K.; Tankeshwar, K.; Moudgil, R.K.

1997-11-01

The dynamical structure factor S(q, ω) and first order memory function of liquid sodium near its triple point is studied by using the Mori's memory function formalism. The memory function has been evaluated self-consistently by expressing the third stage memory function in terms of scaled second order memory function. The short time properties of S(q, ω) are exactly incorporated by the use of frequency sum rules while the long time property is fixed by the scaling parameter. The scaled parameter is determined from the zero frequency dynamical structure factor. For the interaction between the ions we have used the effective pair potential based on pseudopotential theory. It is found that for q ≤ 1.16A 0-1 our method predicts the collective density excitation peak in S(q, ω) in agreement with the molecular dynamics data. For q = 1.99A 0-1 no such peak is observed at finite w which is again in agreement with molecular dynamics data, but for q = 2.74A 0-1 we again observed a shoulder. The results for the first order memory function have also been compared with the molecular dynamics data and a good agreement is obtained at short times. (author)

Decomposing the permeability spectra of nanocrystalline finemet core

Science.gov (United States)

Varga, Lajos K.; Kovac, Jozef

2018-04-01

In this paper we present a theoretical and experimental investigation on the magnetization contributions to permeability spectra of normal annealed Finemet core with round type hysteresis curve. Real and imaginary parts of the permeability were determined as a function of exciting magnetic field (HAC) between 40 Hz -110 MHz using an Agilent 4294A type Precision Impedance Analyzer. The amplitude of the exciting field was below and around the coercive field of the sample. The spectra were decomposed using the Levenberg-Marquardt algorithm running under Origin 9 software in four contributions: i) eddy current; ii) Debye relaxation of magnetization rotation, iii) Debye relaxation of damped domain wall motion and iv) resonant type DW motion. For small exciting amplitudes the first two components dominate. The last two contributions connected to the DW appear for relative large HAC only, around the coercive force. All the contributions will be discussed in detail accentuating the role of eddy current that is not negligible even for the smallest applied exciting field.

Interlayer interactions in absorption and reflection spectra of bismuth HTSC crystals

International Nuclear Information System (INIS)

Kruchinin, S.P.; Yaremko, A.M.

1992-01-01

The HTSC reflection and absorption optic spectra peculiarities are analysed in the paper on the basis of bismuth and thallium. The approach suggested takes into account the complex character of crystals structure, possible localization of excitations in the isolated layers and further excitations exchange due to the interlayer interaction between cuprate (Cu O) and quasi-degenerate bismuth layers (Bi O/3pO). The expressions for the excitation and intensity energies of the corresponding transitions are obtained. It is shown that only part of excitations whose number is determined by the number of layers in the unit cell will be manifest in optical reflection and absorption spectra. The experimental results on spectral dependence of crystal reflection coefficients are analysed

Study of probe-sample distance for biomedical spectra measurement

Directory of Open Access Journals (Sweden)

Li Lei

2011-11-01

Full Text Available Abstract Background Fiber-based optical spectroscopy has been widely used for biomedical applications. However, the effect of probe-sample distance on the collection efficiency has not been well investigated. Method In this paper, we presented a theoretical model to maximize the illumination and collection efficiency in designing fiber optic probes for biomedical spectra measurement. This model was in general applicable to probes with single or multiple fibers at an arbitrary incident angle. In order to demonstrate the theory, a fluorescence spectrometer was used to measure the fluorescence of human finger skin at various probe-sample distances. The fluorescence spectrum and the total fluorescence intensity were recorded. Results The theoretical results show that for single fiber probes, contact measurement always provides the best results. While for multi-fiber probes, there is an optimal probe distance. When a 400- μm excitation fiber is used to deliver the light to the skin and another six 400- μm fibers surrounding the excitation fiber are used to collect the fluorescence signal, the experimental results show that human finger skin has very strong fluorescence between 475 nm and 700 nm under 450 nm excitation. The fluorescence intensity is heavily dependent on the probe-sample distance and there is an optimal probe distance. Conclusions We investigated a number of probe-sample configurations and found that contact measurement could be the primary choice for single-fiber probes, but was very inefficient for multi-fiber probes. There was an optimal probe-sample distance for multi-fiber probes. By carefully choosing the probe-sample distance, the collection efficiency could be enhanced by 5-10 times. Our experiments demonstrated that the experimental results of the probe-sample distance dependence of collection efficiency in multi-fiber probes were in general agreement with our theory.

Nuclear wobbling-phonon excitations with alignments

International Nuclear Information System (INIS)

Hamamoto, I.

2003-01-01

Wobbling-phonon excitations, which are recently observed in 71 163 Lu 92 , are studied. The presence of alignments in nuclei makes it easier for wobbling excitations to appear at lower angular momenta of the yrast spectra. A family of rotational bands with wobbling excitations, which have nearly the same nuclear intrinsic structure, have been pinned down by observing specific electromagnetic decay properties between them. The triaxiality parameter γ = +20 deg. is obtained for the nuclear shape from measured E2 transition probabilities

Study on the excited diatomic molecules of rare gas

International Nuclear Information System (INIS)

Kasama, Kunihiko; Arai, Shigeyoshi

1981-01-01

The study on the excited diatomic molecules of rare gas is presented. The absorption spectra, the mechanism of formation and attenuation and the reactions with other molecules are described. The excitation of rare gas was made by using a pulsed electron beam generator. The absorption of excited diatomic molecules was measured as the functions of time. Two absorption peaks were observed. The electron states of rare gases were estimated. The observed and calculated transition values were given for each peak. The absorption spectra of Ne change with time. The spectra of Ar do not change with time. Four and eleven absorption maxima were seen in the spectra of Kr and Xe, respectively. In the case of Ar, the thermal equilibrium existed. The constants of the production and attenuation rates were obtained as the functions of Ar gas pressure. In the case of Ne, there wad definitely the time dependence of absorption spectra. The attenuation constant was obtained for each transition between various vibration levels. It is necessary to consider the relaxation from high vibrational levels. The energy transfer between vibrational levels hardly occurred in Ne because the intervals are large. When there are other molecules, the attnuation was accelerated. (Kato, T.)

Luminescence of Er3+ doped double lead halide crystals under X-ray, UV, VIS and IR excitation

Science.gov (United States)

Serazetdinov, A. R.; Smirnov, A. A.; Pustovarov, V. A.; Isaenko, L. I.

2017-09-01

Er3+ doped double lead halide crystals incorporate a number of properties making them interesting for practical use in light conducting materials. X-ray excited luminescence (XRL) spectra, photoluminescence (PL) spectra in region of 1.5-3.5 eV, photoluminescence excitation (PLE) spectra (2.75-5 eV) and anti-stokes luminescence (ASL) spectra were measured at room temperature in KPb2Cl5 (KPC) and RbPb2Br5 (RPB) matrices doped with Er3+ (1%) ions and in KPC doped with Er3++ Yb3+ ions(1:3 ratio concentration). Intraconfigurational f→f transitions are observed in Er3+ ions in most of the cases. The concrete spectrum form is strongly dependent on the excitation energy. Under 980 nm excitation upper Er3+ levels are excited, showing upconversional processes. In case of 313 nm (UV) and 365 nm (VIS) excitation self trapped exciton luminescence was detected in RPB crystal. Additional Yb3+ doping ions strongly increase quantum yield under 980 nm excitation and this doping cause insignificant influence on quantum yield under VIS or UV excitation.

Deconvolution of overlapping features in electron energy-loss spectra: the determination of absolute differential cross sections for electron-impact excitation of electronic states of molecules

International Nuclear Information System (INIS)

Campbell, L.; Brunger, M.J.; Teubner, O.J.P.; Mojarrabi, B.

1996-06-01

A set of three computer programs is reported which allow for the deconvolution of overlapping molecular electronic state structure in electron energy-loss spectra, even in highly perturbed systems. This procedure enables extraction of absolute differential cross sections for electron-impact excitation of electronic states of diatomic molecules from electron energy-loss spectra. The first code in the sequence uses the Rydberg-Klein-Rees procedure to generate potential energy curves from spectroscopic constants, while the second calculates Franck-Condon factors by numerical solution of the Schroedinger equation, given the potential energy curves. The third, given these Franck-Condon factors, the previously calculated relevant energies for the vibrational levels of the respective electronic states and the experimental energy-loss spectra, extracts the differential cross sections for each state. Each program can be run independently, or the three can run in sequence to determine these cross sections from the spectroscopic constants and the experimental energy-loss spectra. The application of these programs to the specific case of electron scattering from nitric oxide (NO) is demonstrated. 25 refs., 2 tabs., 2 figs

Excitation of collective plasma modes during collisions between dust grains and the formation of dust plasma crystals

International Nuclear Information System (INIS)

Goree, J.A.; Morfill, G.; Tsytovich, V.N.

1998-01-01

Dust plasma crystals have recently been produced in experiments in a number of laboratories. For dust crystallization to occur, there should exist an efficient mechanism for the cooling of the dust plasma component. It is shown that the excitation of collective plasma modes during collisions between the grains may serve as the required cooling mechanism. The excitation of dust sound waves is found to be most efficient. It is shown that the cooling of dust grains via the excitation of collective plasma modes can be even more efficient than that due to collisions with neutral particles, which was previously considered to be the only mechanism for cooling of the dust plasma component. At present, the first experiments are being carried out to study collisions between individual dust grains. High efficiency of the excitation of plasma modes caused by collisions between dust grains is attributed to the coherent displacement of the plasma particles that shield the grains. it is shown that the excitation efficiency is proportional to the fourth power of the charge of the dust grains and to a large power of their relative velocity, and is independent of their mass. The results obtained can be checked in experiments studying how the binary collisions between dust grains and the pressure of the neutral component influence the dust crystallization

Production of excited double hypernuclei via Fermi breakup of excited strange systems

International Nuclear Information System (INIS)

Sanchez Lorente, Alicia; Botvina, Alexander S.; Pochodzalla, Josef

2011-01-01

Precise spectroscopy of multi-strange hypernuclei provides a unique chance to explore the hyperon-hyperon interaction. In the present work we explore the production of excited states in double hypernuclei following the micro-canonical break-up of an initially excited double hypernucleus which is created by the absorption and conversion of a stopped Ξ - hyperon. Rather independent on the spectrum of possible excited states in the produced double hypernuclei the formation of excited states dominates in our model. For different initial target nuclei which absorb the Ξ - , different double hypernuclei nuclei dominate. Thus the ability to assign the various observable γ-transitions in a unique way to a specific double hypernuclei by exploring various light targets as proposed by the PANDA Collaboration seems possible. We also confront our predictions with the correlated pion spectra measured by the E906 Collaboration.

Entrance channel excitations in the 28Si + 28Si reaction

International Nuclear Information System (INIS)

Decowski, P.; Gierlik, E.; Box, P.F.; Kamermans, R.; Nieuwenhuizen, G.J. van; Meijer, R.J.; Griffioen, K.A.; Wilschut, H.W.; Giorni, A.; Morand, C.; Demeyer, A.; Guinet, D.

1991-01-01

Velocity spectra of heavy ions produced in the 28 Si + 28 Si reaction at bombarding energies of 19.7 and 30 MeV/nucleon were measured and interpreted within the Q-optimum model extended by the inclusion of particle evaporation from excited fragments. Regions of forward angle spectra corresponding to the mutual excitation of the reaction partners with net mass transfer zero projected onto the Q-value variable show an enhancement at Q-values of -60 - -80 MeV (excitation energies of the reaction partners equal to 30 - 40 MeV). This energy range coincides with the region of 2ℎω - 3ℎω excitations characteristic for giant osciallations. This selective excitation, which occurs at a very early stage of the reaction (the cross section is the largest at very forward angles), provides an important doorway to other dissipative processes

Review of high excitation energy structures in heavy ion collisions: target excitations and three body processes

International Nuclear Information System (INIS)

Frascaria, N.

1987-09-01

A review of experimental results on high excitation energy structures in heavy ion inelastic scattering is presented. The contribution to the spectra of the pick-up break-up mechanism is discussed in the light of the data obtained with light heavy ion projectiles. Recent results obtained with 40 Ar beams at various energies will show that target excitations contribute strongly to the measured cross section

The collectivity and the de-excitation of the yrast superdeformed band in sup 150 Gd

Energy Technology Data Exchange (ETDEWEB)

Fallon, P.; Alderson, A.; Ali, I.; Cullen, D.M.; Forsyth, P.D.; Riley, M.A.; Roberts, J.W.; Sharpey-Schafer, J.F.; Twin, P.J. (Liverpool Univ. (UK). Oliver Lodge Lab.); Bentley, M.A.; Bruce, A.M. (Science and Engineering Research Council, Daresbury (UK). Daresbury Lab.)

1991-03-28

A Doppler shift attenuation measurement has been carried out to determine the collectivity of the superdeformed band in {sup 150}Gd. The data was found to be consistent with a constant inband quadrupole moment of 17+-3 eb. This corresponds to a quadrupole deformation of {beta}{sub 2}{approx equal}0.58. In addition the measurement has resolved important questions regarding the de-excitation of the band, confirming the rapid de-excitation of the superdeformed band in {sup 150}Gd with more than 80% of the band intensity being lost over one transition. (orig.).

Boson models of quadrupole collective motion

International Nuclear Information System (INIS)

Zelevinskij, V.G.

1985-01-01

The subject of the lecture is the low-lying excitations of even-even (e-e) spherical nuclei. The predominant role of the quadrupole mode, which determines the structure of spectra and transitions, is obvious on the background of shell periodicity and pair correlations. Typical E2-transitions are strengthened Ω ∼ A 2/3 times in comparison with single particle evaluations. Together with the regularity of the whole picture it gives evidence about collectivization of quadrupole motion. The collective states are combined in bands, where the transition probability are especially great; frequencies ω of the strengthened transitions are small in comparison with pair separation energies of 2 E-bar ∼ 2 MeV. Thus, the description of low-lying excitations of spherical nuclei has to be based on three principles: collectivity (Ω >> 1), adiabaticity (τ ≡ ω/2E-bar << 1) and quadrupole symmetry

Magnetic excitations and amplitude fluctuations in insulating cuprates

Science.gov (United States)

Chelwani, N.; Baum, A.; Böhm, T.; Opel, M.; Venturini, F.; Tassini, L.; Erb, A.; Berger, H.; Forró, L.; Hackl, R.

2018-01-01

We present results from light scattering experiments on three insulating antiferromagnetic cuprates, YBa2Cu3O6.05 , Bi2Sr2YCu2O8 +δ , and La2CuO4 as a function of polarization and excitation energy using samples of the latest generation. From the raw data we derive symmetry-resolved spectra. The spectral shape in B1 g symmetry is found to be nearly universal and independent of excitation energy. The spectra agree quantitatively with predictions by field theory [Eur. Phys. J. B 88, 237 (2015), 10.1140/epjb/e2015-60438-1] facilitating the precise extraction of the Heisenberg coupling J . In addition, the asymmetric lineshape on the high-energy side is found to be related to amplitude fluctuations of the magnetization. In La2CuO4 alone, minor contributions from resonance effects may be identified. The spectra in the other symmetries are not universal. The variations may be traced back to weak resonance effects and extrinsic contributions. For all three compounds we find support for the existence of chiral excitations appearing as a continuum in A2 g symmetry having an onset slightly below 3 J . In La2CuO4 an additional isolated excitation appears on top of the A2 g continuum.

Excitation processes in organic systems under irradiation with vacuum ultraviolet radiation

International Nuclear Information System (INIS)

Shefer, Y.

1983-08-01

The subject of this work is the fluorescence of organic systems in the excitation range where phenomena of photon multiplication begin. It was hoped to reach the excitation energy above which the distribution of the various phenomena was constant and as a result, a linear function between the variation of the fluorescence intensity with variations of the excitation, would be obtained. The experimental set-up consisted mainly of suitable light sources, monochromators and detectors. The gated measuring system consisted of an oscilloscope, integrator and recorder. The material predominantly used in the experiments was anthracene whose absorption spectrum was investigated and calculated. The absorption spectra of various polycrystalline layers were also calculated. The absorption spectrum of a randomly ordered polycrystalline layer was compared with that of a hexane solution and a good correlation between the two spectra was obtained. For the study of the relationship between the excitation spectrum of anthracene and the order of crystal, the excitation spectrum of single crystals of anthracene was measured from 4 eV to 107 eV. For the excitation region from 10 eV to 23 eV the efficiency of exciting a singlet level by a photoelectron was calculated as a function of the kinetic energy of the photoelectron, assuming the efficiency of the recombination to be constant. The excitation spectra of single crystals of p-terphenyl, pyrene and phenanthrene were also examined. In all four crystals the excitation spectrum rises monotonically with an increase in the energy of the exciting photon. (author)

Inelastic light scattering by low-lying excitations of electrons in low-dimensional semiconductors

Energy Technology Data Exchange (ETDEWEB)

Pellegrini, V. [NEST CNR-INFM and Scuola Normale Superiore, Pisa (Italy); Pinczuk, A. [Department of Physics, Department of Applied Physics and Applied Mathematics, Columbia University, New York, New York 10027 (United States); Bell Laboratories, Lucent Technologies, Murray Hill, New Jersey (United States)

2006-11-15

The low-dimensional electron systems that reside in artificial semiconductor heterostructures of great perfection are a contemporary materials base for explorations of collective phenomena. Studies of low-lying elementary excitations by inelastic light scattering offer insights on properties such energetics, interactions and spin magnetization. We review here recent light scattering results obtained from two-dimensional (2D) quantum fluids in semiconductor heterostructures under extreme conditions of low temperature and large magnetic field, where the quantum Hall phases are archetypes of novel behaviors. We also consider recent light scattering experiments that have probed the excitation spectra of few-electron states in semiconductor quantum dots. (copyright 2006 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Photoionization cross-sections of ground and excited valence levels of actinides

Directory of Open Access Journals (Sweden)

Yarzhemsky Victor G.

2012-01-01

Full Text Available The photoionization cross-sections of ground and excited atomic states of actinide atoms were calculated by the Dirac-Fock-Slater method for two excitation energies of X-ray radiation (1253.6 eV and 1486.6 eV. These data are required for calculations of intensities of X-ray photoelectron spectra of actinide compound valence bands and interpretation of experimental spectra.

The [NeIV] Lines in High Excitation Gaseous Nebulae.

Science.gov (United States)

Aller, L H

1970-04-01

The "forbidden" lines of three times ionized neon are among the most precious indicators of electron temperature and excitation. They are also predicted to be among the strongest lines observed in the far ultraviolet spectra of high excitation nebulae.

Two Dimensional Multiwavelength Fluorescence Spectra of Dipicolinic Acid and Calcium Dipicolinate

National Research Council Canada - National Science Library

Sarasanandarajah, Sivananthan

2004-01-01

.... In this paper we report in some detail on the room temperature fluorescence excitation and emission spectra of DPA and its calcium ion complex and comparison of the excitation-emission spectrum...

Studies of the X-ray absorption spectra of some methylcyano esters

International Nuclear Information System (INIS)

Takahashi, Osamu; Saito, Ko; Mitani, Masaki; Yoshida, Hiroaki; Tahara, Fumitaka; Sunami, Tetsuji; Waki, Keiichiro; Senba, Yasunori; Hiraya, Atsunari; Pettersson, Lars G.M.

2005-01-01

Density functional theory (DFT) has been applied to simulate core-excited photoabsorption spectra for some methylcyano esters within a transition potential (TP) framework. Our calculations for methylcyano formate at the N and O K-edges are consistent with previous experimental spectra. For methylcyano acetate the photoabsorption spectra at the N and O K-edges were reinvestigated experimentally. Contrary to the previous experiment, only one main peak was observed at the N K-edge and this peak was assigned to N(1s) ->π* excitation. This result was supported by our theoretical calculations. The general trends in the X-ray absorption spectra and the site-specific bond scission of methylcyano esters at the N and O K-edges are also discussed

Analysis of collective excitations of rapidly rotating nuclei in an oscillator potential

International Nuclear Information System (INIS)

Akbarov, A.; Ignatyuk, A.V.; Mikhailov, I.N.; Molina, K.L.; Nazmitdinov, R.G.; Janssen, D.

1981-01-01

The spectrum of positive-parity collective excitations is analyzed in the random phase approximation for a wide range of angular momenta. The Hamiltonian of the model is taken in the form of a spherical harmonic-oscillator potential and isoscalar quadrupole forces. This model permits a description of the known data on the position of a giant quadrupole resonance for small spins and allows the variation of the resonance characteristics to be followed as the spin increases. It is shown that as the rotation velocity increases the energy of one of the branches of the resonance decreases to zero while the state remains strongly collectivized. The model also reproduces the low energy vibration mode which is related to the precession mode. The excitation energy and the B(E2) factor corresponding to this mode differ considerably from the estimates obtained in the rigid rotator model

Lowest excited states and optical absorption spectra of donor–acceptor copolymers for organic photovoltaics: a new picture emerging from tuned long-range corrected density functionals

KAUST Repository

Pandey, Laxman; Doiron, Curtis; Sears, John S.; Bré das, Jean-Luc

2012-01-01

Polymers with low optical gaps are of importance to the organic photovoltaics community due to their potential for harnessing a large portion of the solar energy spectrum. The combination along their backbones of electron-rich and electron-deficient fragments contributes to the presence of low-lying excited states that are expected to display significant charge-transfer character. While conventional hybrid functionals are known to provide unsatisfactory results for charge-transfer excitations at the time-dependent DFT level, long-range corrected (LRC) functionals have been reported to give improved descriptions in a number of systems. Here, we use such LRC functionals, considering both tuned and default range-separation parameters, to characterize the absorption spectra of low-optical-gap systems of interest. Our results indicate that tuned LRC functionals lead to simulated optical-absorption properties in good agreement with experimental data. Importantly, the lowest-lying excited states (excitons) are shown to present a much more localized nature than initially anticipated. © 2012 the Owner Societies.

Arduino Due based tool to facilitate in vivo two-photon excitation microscopy.

Science.gov (United States)

Artoni, Pietro; Landi, Silvia; Sato, Sebastian Sulis; Luin, Stefano; Ratto, Gian Michele

2016-04-01

Two-photon excitation spectroscopy is a powerful technique for the characterization of the optical properties of genetically encoded and synthetic fluorescent molecules. Excitation spectroscopy requires tuning the wavelength of the Ti:sapphire laser while carefully monitoring the delivered power. To assist laser tuning and the control of delivered power, we developed an Arduino Due based tool for the automatic acquisition of high quality spectra. This tool is portable, fast, affordable and precise. It allowed studying the impact of scattering and of blood absorption on two-photon excitation light. In this way, we determined the wavelength-dependent deformation of excitation spectra occurring in deep tissues in vivo.

Collective excitations with chiral NN+3N interactions from coupled-cluster and in-medium SRG

International Nuclear Information System (INIS)

Trippel, Richard

2016-01-01

A broad variety of many-body methods exists for the investigation of ground-state properties, ranging from sophisticated ab initio approaches to traditional, phenomenological models. The description of low-lying excited states of medium-mass nuclei with ab initio methods has also become possible through recent progress in many-body theory. For collective modes at higher energies, however, these methods usually cannot be applied. Therefore, when describing collective excitations either completely phenomenological, macroscopic models are employed or microscopic models using phenomenological interactions. One of the microscopic models well suited for the calculation of collective properties is the random-phase approximation (RPA). In the past, the use of phenomenological interactions for RPA has shown promising results. However, the application of chiral NN interactions yielded transitions at significantly too high energies, far from agreement with experimental data. This thesis focuses on the description of collective modes using both RPA and its second-order extension, SRPA. In contrast to previous research endeavors, we employ chiral NN+3N interactions. The use of chiral interactions is an important first step for describing ground-state, excitation and collective properties on an equal foundation. We find that the inclusion of 3N terms is crucial for RPA calculations and the prediction for collective modes is drastically improved through the 3N terms. For SRPA we show first-ever results with chiral interactions, again leading to an improvement in the predictions. For a successful ab initio description of ground-state properties the inclusion of correlations is of paramount importance. Past RPA calculations have been performed using the quasi-boson approximation, effectively neglecting ground-state correlations. Using RPA, the next step along the path towards an ab initio description of collective properties will, therefore, be the inclusion of correlations. To

Collective excitations with chiral NN+3N interactions from coupled-cluster and in-medium SRG

Energy Technology Data Exchange (ETDEWEB)

Trippel, Richard

2016-12-19

A broad variety of many-body methods exists for the investigation of ground-state properties, ranging from sophisticated ab initio approaches to traditional, phenomenological models. The description of low-lying excited states of medium-mass nuclei with ab initio methods has also become possible through recent progress in many-body theory. For collective modes at higher energies, however, these methods usually cannot be applied. Therefore, when describing collective excitations either completely phenomenological, macroscopic models are employed or microscopic models using phenomenological interactions. One of the microscopic models well suited for the calculation of collective properties is the random-phase approximation (RPA). In the past, the use of phenomenological interactions for RPA has shown promising results. However, the application of chiral NN interactions yielded transitions at significantly too high energies, far from agreement with experimental data. This thesis focuses on the description of collective modes using both RPA and its second-order extension, SRPA. In contrast to previous research endeavors, we employ chiral NN+3N interactions. The use of chiral interactions is an important first step for describing ground-state, excitation and collective properties on an equal foundation. We find that the inclusion of 3N terms is crucial for RPA calculations and the prediction for collective modes is drastically improved through the 3N terms. For SRPA we show first-ever results with chiral interactions, again leading to an improvement in the predictions. For a successful ab initio description of ground-state properties the inclusion of correlations is of paramount importance. Past RPA calculations have been performed using the quasi-boson approximation, effectively neglecting ground-state correlations. Using RPA, the next step along the path towards an ab initio description of collective properties will, therefore, be the inclusion of correlations. To

Excitation-scanning hyperspectral imaging as a means to discriminate various tissues types

Science.gov (United States)

Deal, Joshua; Favreau, Peter F.; Lopez, Carmen; Lall, Malvika; Weber, David S.; Rich, Thomas C.; Leavesley, Silas J.

2017-02-01

Little is currently known about the fluorescence excitation spectra of disparate tissues and how these spectra change with pathological state. Current imaging diagnostic techniques have limited capacity to investigate fluorescence excitation spectral characteristics. This study utilized excitation-scanning hyperspectral imaging to perform a comprehensive assessment of fluorescence spectral signatures of various tissues. Immediately following tissue harvest, a custom inverted microscope (TE-2000, Nikon Instruments) with Xe arc lamp and thin film tunable filter array (VersaChrome, Semrock, Inc.) were used to acquire hyperspectral image data from each sample. Scans utilized excitation wavelengths from 340 nm to 550 nm in 5 nm increments. Hyperspectral images were analyzed with custom Matlab scripts including linear spectral unmixing (LSU), principal component analysis (PCA), and Gaussian mixture modeling (GMM). Spectra were examined for potential characteristic features such as consistent intensity peaks at specific wavelengths or intensity ratios among significant wavelengths. The resultant spectral features were conserved among tissues of similar molecular composition. Additionally, excitation spectra appear to be a mixture of pure endmembers with commonalities across tissues of varied molecular composition, potentially identifiable through GMM. These results suggest the presence of common autofluorescent molecules in most tissues and that excitationscanning hyperspectral imaging may serve as an approach for characterizing tissue composition as well as pathologic state. Future work will test the feasibility of excitation-scanning hyperspectral imaging as a contrast mode for discriminating normal and pathological tissues.

The fluorescence action spectra of some saturated hydrocarbon liquids for excitation energies above and below their ionization thresholds

International Nuclear Information System (INIS)

Ostafin, A.E.; Lipsky, S.

1993-01-01

Fluorescence action spectra have been obtained for the neat liquids, cis-decalin, trans-decalin, bicyclohexyl, cyclohexane, methylcyclohexane, isobutylcyclohexane, 2,3,4-trimethylpentane, 2,3-dimethylbutane, 3-methylhexane, 3-methylpentane, n-decane, n-dodecane, and n-pentadecane at excitation energies, ε, ranging from their absorption onsets (at ca. 7 eV) to 10.3 eV. For all compounds, with the exception of cis-decalin, the fluorescence quantum yield is observed to monotonically decline with increasing ε, reaching a minimum value at an energy, ε m (a few tenths of an eV above the liquid phase ionization threshold, ε l ) followed by a slow increase. In the case of cis-decalin, the fluorescence quantum yield remains constant over the entire range of excitation energies studied, permitting its use as a quantum counter replacing the standard sodium salicylate, at least over a spectral range from 185 to 120 nm. The recovery of the fluorescence quantum yield for ε>ε m is attributed to an increasing probability for electron ejection followed by e - +RH + geminate recombination, to produce an excited state of RH with energy less than ε l . From a simple analysis of the action spectrum, a lower bound estimate of the electron ejection probability, φ ± , is obtained as a function of ε. In the case of cyclohexane, where φ ± has been obtained by other techniques at ε congruent 10 eV, the lower bound estimate agrees with the experimental value. From this agreement, arguments are presented to make plausible the conjecture that in all these liquids, the initially produced e - +RH + geminate ion pair first rapidly internally converts to an ion-pair state ca

Decomposing the permeability spectra of nanocrystalline finemet core

Directory of Open Access Journals (Sweden)

Lajos K. Varga

2018-04-01

Full Text Available In this paper we present a theoretical and experimental investigation on the magnetization contributions to permeability spectra of normal annealed Finemet core with round type hysteresis curve. Real and imaginary parts of the permeability were determined as a function of exciting magnetic field (HAC between 40 Hz -110 MHz using an Agilent 4294A type Precision Impedance Analyzer. The amplitude of the exciting field was below and around the coercive field of the sample. The spectra were decomposed using the Levenberg–Marquardt algorithm running under Origin 9 software in four contributions: i eddy current; ii Debye relaxation of magnetization rotation, iii Debye relaxation of damped domain wall motion and iv resonant type DW motion. For small exciting amplitudes the first two components dominate. The last two contributions connected to the DW appear for relative large HAC only, around the coercive force. All the contributions will be discussed in detail accentuating the role of eddy current that is not negligible even for the smallest applied exciting field.

Sub-threshold excited Cl Kβ (K-V) x-ray fluorescence from CF3Cl molecule

International Nuclear Information System (INIS)

Perera, R.C.C.; Cowan, P.L.; Lindle, D.W.; LaVilla, R.E.

1987-10-01

With the availability of tunable synchrotron radiation sources, unoccupied molecular orbits (below vacuum level) can be selectively populated producing highly excited neutral molecules. X-ray fluorescence spectra from molecules were obtained with excitation below the ionization threshold and were observed to have significant intensity changes, absolute and relative energy position shifts and line width changes as compared to fluorescence spectra excited above the threshold. As an example, the Cl Kβ (K-V) emission spectra from CF 3 Cl vapor are presented. The energy shifts and intensity changes are explained in terms of perturbation effects due to the presence of an electron in an unoccupied molecular orbital. The narrow line widths obtained in the spectra excited below threshold are explained in terms of the ''effective'' hole production region in a core state limited by the broadening of the unoccupied level. The change in line widths as a function of below-threshold excitation energy is proposed as a novel technique to study the localized properties and reorganization effects of a hole in a core level. 10 refs., 4 figs., 1 tab

Novel collective excitations and the quasi-particle picture of quarks coupled with a massive boson at finite temperature

International Nuclear Information System (INIS)

Kitazawa, Masakiyo; Kunihiro, Teiji; Nemoto, Yukio

2007-01-01

Motivated by the observation that there may exist hadronic excitations even in the quark-gluon plasma (QGP) phase, we investigate how the properties of quarks, especially within the quasi-particle picture, are affected by the coupling with bosonic excitations at finite temperature (T), employing Yukawa models with a massive scalar (pseudoscalar) and vector (axial-vector) boson of mass m. The quark spectral function and the quasi-dispersion relations are calculated at one-loop order. We find that there appears at three-peak structure in the quark spectral function with a collective nature when T is comparable with m, irrespective of the type of boson considered. Such a multi-peak structure was first found in a chiral model yielding scalar composite bosons with a decay width. We elucidate the mechanism through which the new quark collective excitations are realized in terms of the Landau damping of a quark (an antiquark) induced by scattering with the thermally excited boson, which gives rise to mixing and hence a level repulsion between a quark (antiquark) and an antiquark-hole (quark-hole) in the thermally excited antiquark (quark) distribution. Our results suggest that the quarks in the QGP phase can be described within an interesting quasi-particle picture with a multi-peak spectral function. Because the models employed here are rather generic, our findings may represent a universal phenomenon for fermions coupled to a massive bosonic excitation with a vanishing or small width. The relevance of these results to other fields of physics, such as neutrino physics, is also briefly discussed. In addition, we describe a new aspect of the plasmino excitation obtained in the hard-thermal loop approximation. (author)

Atomic substitution in selected high-temperature superconductors: Elucidating the nature of Raman spectra excitations

Science.gov (United States)

Hewitt, Kevin Cecil

2000-10-01

In this thesis, the effects of atomic substitution on the vibrational and electronic excitations found in the Raman spectra of selected high-temperature superconductors (HTS) are studied. In particular, atomic and isotopic substitution methods have been used to determine the character of features observed in the Raman spectra of Bi2Sr2Ca n-1CunO2 n+4+delta (n = 1 - Bi2201, n = 2 - Bi2212) and YBa2Cu3O7-delta (Y123). In Bi2201, Pb substitution for Bi (and Sr) has led to the reduction and eventual removal of the structural modulation, characteristic of all members of the Bi-family of HTS. The high quality single crystals and our sensitive triple spectrometer enabled identification of a pair of low frequency modes. The modes are determined to arise from shear and compressional rigid-layer vibrations. The normal state of underdoped cuprates is characterized by a pseudogap of unknown origin. In crystals of underdoped Bi2212 a spectral peak found at 590 cm-1, previously attributed to the pairing of quasiparticles (above Tc) and hence to the formation of a normal state pseudogap, has been found to soften by 3.8% with oxygen isotope exchange. In addition, the feature is absent in fully oxygenated and yttrium underdoped crystals. In this study, the first of its kind on underdoped and isotope substituted Bi2212, the feature has been assigned to stretching vibrations of oxygen in the a-b plane. Bi2212 crystals with varying hole concentrations (0.07 Raman scattering experiments that sample the diagonal (B 2g) and principal axes (B1 g) of the BZ have led us to conclude that the superconducting gap possesses dx2-y2 symmetry, in the underdoped and overdoped regimes. It is found that the magnitude of the superconducting gap (Delta(k)) is sensitive to changes in p. Studies of the pair-breaking peak found in the B1g spectra allow us to conclude that the magnitude of the maximum gap (Deltamax) decreases monotonically with increasing hole doping, for p > 0.13. The pair

The photodissociation and reaction dynamics of vibrationally excited molecules

Energy Technology Data Exchange (ETDEWEB)

Crim, F.F. [Univ. of Wisconsin, Madison (United States)

1993-12-01

This research determines the nature of highly vibrationally excited molecules, their unimolecular reactions, and their photodissociation dynamics. The goal is to characterize vibrationally excited molecules and to exploit that understanding to discover and control their chemical pathways. Most recently the author has used a combination of vibrational overtone excitation and laser induced fluorescence both to characterize vibrationally excited molecules and to study their photodissociation dynamics. The author has also begun laser induced grating spectroscopy experiments designed to obtain the electronic absorption spectra of highly vibrationally excited molecules.

Coulomb excitation of $^{116}$Te and $^{118}$Te: a study of collectivity above the Z = 50 shell gap

CERN Multimedia

Cederkall, J A; Smith, J F; Voulot, D; Rahkila, P J; Darby, I G; Hadinia, B; Grahn, T; Paul, E S; Wadsworth, R; Bree, N C F; Baeck, T M; Julin, R J; Diriken, J V J; Jenkins, D G; Kroell, T; Leske, J; Huyse, M L

We propose to study the nature and collectivity of low-energy excitations in $^{116}$Te and $^{118}$Te. We aim to measure the transition probability of the 0$^{+}$ $\\rightarrow$ 2$^{+}$ transition by means of Coulomb excitation, employing REX-ISOLDE and MINIBALL. The proposed study probes the systematics of B(E2) values in light Te nuclei, which lie in a region of the nuclear chart where unusual phenomena and evolution of collectivity have been observed. The proposed study will shed light on the role of the residual proton-neutron interactions in the development of collectivity when approaching the N = Z line. This is a resubmission of the P-277 proposal. The suggestions of INTC have been taken into account and the data from the Yale $^{120}$Te study has been included.

Spectroscopic studies of humic acids from subsurface sediment samples collected across the Aegean Sea

Directory of Open Access Journals (Sweden)

F. SAKELLARIADOU

2006-12-01

Full Text Available Natural humic acids are biogenic, structurally complex and heterogeneous, refractory, acidic, yellow-to black-coloured organic polyelectrolytes of relatively high molecular weight. They occur in all soils, sediments, fresh waters, and seawaters. Humic acids represent the largest portion of nonliving soil organic matter. In the present paper, humic substances were isolated from marine subsurface sediment samples collected across the Aegean sea (in Greece and especially from a marine area extending northwards of the Samothraki plateau towards the north-eastern part of the island of Crete. In a following step, humic preparations were studied using infrared and fluorescence spectroscopy (emission, excitation and synchronous-scan excitation spectra were obtained. The infrared spectra suggested functional chemical groups such as as OH-, C-H aliphatic, C=C, C=O/COO-, salts of carboxylic acids, and also, in some cases, silicate anions or C-O from alcohols, esters and ethers. Fluorescence emission, excitation and synchronous scan excitation provided some valuable information concerning a probable origin (marine and/or terrestrial for the isolated humics.

Spectral reconstruction for shifted-excitation Raman difference spectroscopy (SERDS).

Science.gov (United States)

Guo, Shuxia; Chernavskaia, Olga; Popp, Jürgen; Bocklitz, Thomas

2018-08-15

Fluorescence emission is one of the major obstacles to apply Raman spectroscopy in biological investigations. It is usually several orders more intense than Raman scattering and hampers further analysis. In cases where the fluorescence emission is too intense to be efficiently removed via routine mathematical baseline correction algorithms, an alternative approach is needed. One alternative approach is shifted-excitation Raman difference spectroscopy (SERDS), where two Raman spectra are recorded with two slightly different excitation wavelengths. Ideally, the fluorescence emission at the two excitations does not change while the Raman spectrum shifts according to the excitation wavelength. Hence the fluorescence is removed in the difference of the two recorded Raman spectra. For better interpretability a spectral reconstruction procedure is necessary to recover the fluorescence-free Raman spectrum. This is challenging due to the intensity variations between the two recorded Raman spectra caused by unavoidable experimental changes as well as the presence of noise. Existent approaches suffer from drawbacks like spectral resolution loss, fluorescence residual, and artefacts. In this contribution, we proposed a reconstruction method based on non-negative least squares (NNLS), where the intensity variations between the two measurements are utilized in the reconstruction model. The method achieved fluorescence-free reconstruction on three real-world SERDS datasets without significant information loss. Thereafter, we quantified the performance of the reconstruction based on artificial datasets from four aspects: reconstructed spectral resolution, precision of reconstruction, signal-to-noise-ratio (SNR), and fluorescence residual. The artificial datasets were constructed with varied Raman to fluorescence intensity ratio (RFIR), SNR, full-width at half-maximum (FWHM), excitation wavelength shift, and fluorescence variation between the two spectra. It was demonstrated that

Optical excitation of Er centers in GaN epilayers grown by MOCVD

Science.gov (United States)

George, D. K.; Hawkins, M. D.; Jiang, H. X.; Lin, J. Y.; Zavada, J. M.; Vinh, N. Q.

2016-02-01

In this paper we present results of photoluminescence (PL), photoluminescence excitation (PLE), and time resolved PL spectroscopy of the 4I13/2 → 4I15/2 transition in Er optical centers in GaN epilayers grown by metal-organic chemical vapor deposition. Under resonance excitation via the higher-lying inner 4f shell transitions and band-to-band excitation of the semiconductor host, the PL and PLE spectra reveal an existence of two types of Er optical centers from isolated and the defect-related Er centers in GaN epilayers. These centers have different PL spectra, local defect environments, decay dynamics, and excitation cross-sections. The isolated Er optical center, which can be excited by either excitation mechanism, has the same decay dynamics, but possesses a much higher cross-section under band-to-band excitation. In contrast, the defect-related Er center can only be observed through band-to-band excitation but has the largest crosssection. Our results indicate pathways for efficient optical excitation of Er-doped GaN semiconductors.

Emission spectra of dimethoxybenzenes by controlled electron impact

International Nuclear Information System (INIS)

Ogawa, Teiichiro; Imasaka, Totaro; Toyoda, Minoru; Tsuji, Masaharu; Ishibashi, Nobuhiko

1975-01-01

The emission spectra of o-, m-, and p-dimethoxybenzenes under controlled electron impact excitation (200 eV) were measured in the 220 - 450 nm region at very low pressures. The photoemissions of the excited parent species and such fragment species as H, CH, CO, and CO + were observed and assigned. The relative intensities of the photoemissions of the parent species were compared with those of the fluorescence spectra (photoexcitation) in an n-hexane solution. The excited parent species, H, and CH were concluded to be produced in one-electron processes; however, the CO + species were assumed to be produced in both one- and two-electron processes, and the relative contributions are evaluated. It was concluded that the rate of the predissociation of o-dimethoxybenzene was faster than those of the other two isomers, and the observed characteristics of o-dimethoxybenzene had something to do with this faster rate. (auth.)

Resonant inelastic x-ray scattering studies of elementary excitations

NARCIS (Netherlands)

Ament, Lucas Johannes Peter (Luuk)

2010-01-01

Resonant Inelastic X-ray Scattering (RIXS) is an X-ray in, X-ray out technique that enables one to study the dispersion of excitations in solids. In this thesis, we investigated how various elementary excitations of transition metal oxides show up in RIXS spectra.

Seismic structural response analysis for multiple support excitation

International Nuclear Information System (INIS)

Shaw, D.E.

1975-01-01

In the seismic analysis of nuclear power plant equipment such as piping systems situations often arise in which piping systems span between adjacent structures or between different elevations in the same structure. Owing to the differences in the seismic time history response of different structures or different elevations of the same structure, the input support motion will differ for different supports. The concept of a frequency dependent participation factor and rotational response spectra accounting for phase differences between support excitations is developed by using classical equations of motion to formulate the seismic response of a structure subjected to multiple support excitation. The essence of the method lies in describing the seismic excitation of a multiply excited structure in terms of translational and rotational spectra used at every support and a frequency dependent spatial distribution function derived from the phase relationships of the different support time histories. In this manner it is shown that frequency dependent participation factors can be derived from the frequency dependent distribution functions. Examples are shown and discussed relative to closed form solutions and the state-of-the-art techniques presently being used for the solution of problems of multiply excited structures

Core Level Spectra of Organic Molecules Adsorbed on Graphene

Directory of Open Access Journals (Sweden)

Abhilash Ravikumar

2018-03-01

Full Text Available We perform first principle calculations based on density functional theory to investigate the effect of the adsorption of core-excited organic molecules on graphene. We simulate Near Edge X-ray absorption Fine Structure (NEXAFS and X-ray Photoemission Spectroscopy (XPS at the N and C edges for two moieties: pyridine and the pyridine radical on graphene, which exemplify two different adsorption characters. The modifications of molecular and graphene energy levels due to their interplay with the core-level excitation are discussed. We find that upon physisorption of pyridine, the binding energies of graphene close to the adsorption site reduce mildly, and the NEXAFS spectra of the molecule and graphene resemble those of gas phase pyridine and pristine graphene, respectively. However, the chemisorption of the pyridine radical is found to significantly alter these core excited spectra. The C 1s binding energy of the C atom of graphene participating in chemisorption increases by ∼1 eV, and the C atoms of graphene alternate to the adsorption site show a reduction in the binding energy. Analogously, these C atoms also show strong modifications in the NEXAFS spectra. The NEXAFS spectrum of the chemisorbed molecule is also modified as a result of hybridization with and screening by graphene. We eventually explore the electronic properties and magnetism of the system as a core-level excitation is adiabatically switched on.

Electronically excited negative ion resonant states in chloroethylenes

Energy Technology Data Exchange (ETDEWEB)

Khvostenko, O.G., E-mail: khv@mail.ru; Lukin, V.G.; Tuimedov, G.M.; Khatymova, L.Z.; Kinzyabulatov, R.R.; Tseplin, E.E.

2015-02-15

Highlights: • Several novel dissociative negative ion channels were revealed in chloroethylenes. • The electronically excited resonant states were recorded in all chloroethylenes under study. • The states were assigned to the inter-shell types, but not to the core-excited Feshbach one. - Abstract: The negative ion mass spectra of the resonant electron capture by molecules of 1,1-dichloroethylene, 1,2-dichloroethylene-cis, 1,2-dichloroethylene-trans, trichloroethylene and tetrachloroethylene have been recorded in the 0–12 eV range of the captured electron energy using static magnetic sector mass spectrometer modified for operation in the resonant electron capture regime. As a result, several novel low-intensive dissociation channels were revealed in the compounds under study. Additionally, the negative ion resonant states were recorded at approximately 3–12 eV, mostly for the first time. These resonant states were assigned to the electronically excited resonances of the inter-shell type by comparing their energies with those of the parent neutral molecules triplet and singlet electronically excited states known from the energy-loss spectra obtained by previous studies.

Electronic Raman scattering with excitation between localized states observed in the zinc M{sub 2,3} soft x-ray spectra of ZnS

Energy Technology Data Exchange (ETDEWEB)

Zhou, L.; Callcott, T.A.; Jia, J.J. [Univ. of Tennessee, Knoxville, TN (United States)] [and others

1997-04-01

Zn M{sub 2,3} soft x-ray fluorescence (SXF) spectra of ZnS and ZnS{sub .5}Se{sub .5} excited near threshold show strong inelastic scattering effects that can be explained using a simple model and an inelastic scattering theory based on second order perturbation theory. This scattering is often called electronic resonance Raman scattering. Tulkki and Aberg have developed this theory in detail for atomic systems, but their treatment can be applied to solid systems by utilizing electronic states characteristic of solids rather than of atomic systems.

Excited-state kinetics of the carotenoid S//1 state in LHC II and two-photon excitation spectra of lutein and beta-carotene in solution Efficient Car S//1 yields Chl electronic energy transfer via hot S//1 states?

CERN Document Server

Walla, P J; Linden, Patricia A; Ohta, Kaoru

2002-01-01

The excited-state dynamics of the carotenoids (Car) in light- harvesting complex II (LHC II) of Chlamydomonas reinhardtii were studied by transient absorption measurements. The decay of the Car S //1 population ranges from similar to 200 fs to over 7 ps, depending on the excitation and detection wavelengths. In contrast, a 200 fs Car S//1 yields Chlorophyll (Chl) energy transfer component was the dominant time constant for our earlier two-photon fluorescence up- conversion measurements (Walla, P.J. ; et al. J. Phys. Chem. B 2000, 104, 4799-4806). We also present the two-photon excitation (TPE) spectra of lutein and beta-carotene in solution and compare them with the TPE spectrum of LHC II. The TPE-spectrum of LHC II has an onset much further to the blue and a width that is narrower than expected from comparison to the S//1 fluorescence of lutein and beta-carotene in solution. Different environments may affect the shape of the S//1 spectrum significantly. To explain the blue shift of the TPE spectrum and the d...

Theoretical Study of the Relationships between Excited State Geometry Changes and Emission Energies of Oxyluciferin

Energy Technology Data Exchange (ETDEWEB)

Li, Zhong Wei; Min, Chun Gang; Ren, Ai Min; Feng, Ji Kang [Jilin University, Changchun (China); Guo, Jing Fu [Northeast Normal University, Jilin (China); Goddard, John D. [University of Guelph, Ontario (Canada); Zuo, Liang [North China Mineral and Geology Testing Center of CNNC, Tianjin (China)

2010-04-15

In order to find a relationship between firefly luciferases structure and bioluminescence spectra, we focus on excited substrate geometries which may be affected by rigid luciferases. Density functional theory (DFT) and time dependent DFT (TDDFT) were employed. Changes in only six bond lengths of the excited substrate are important in determining the emission spectra. Analysis of these bonds suggests the mechanism whereby luciferases restrict more or less the excited substrate geometries and to produce multicolor bioluminescence.

Extended RPA study of nuclear collective phenomena

International Nuclear Information System (INIS)

Drozdz, S.

1987-01-01

A fully microscopic study of nuclear collective phenomena is presented within the framework of an extended RPA which includes 1p-1h and 2p-2h excitations in a consistent way. This theory allows us to obtain a very realistic description of various excitation spectra. As a result, a strong evidence of correlation effects beyond mean-field theory emerges. The effective interaction used is a G-matrix derived from the meson-exchange potential. The extended theory introduces also additional correlations which screen the long-large part of the effective interaction. This effect significantly enhances the stability of the ground state against density fluctuations. In this connection a possible importance of relativistic effects is also discussed. 99 refs., 19 figs., 5 tabs. (author)

An Improved Multidimensional MPA Procedure for Bidirectional Earthquake Excitations

Directory of Open Access Journals (Sweden)

Feng Wang

2014-01-01

Full Text Available Presently, the modal pushover analysis procedure is extended to multidimensional analysis of structures subjected to multidimensional earthquake excitations. an improved multidimensional modal pushover analysis (IMMPA method is presented in the paper in order to estimate the response demands of structures subjected to bidirectional earthquake excitations, in which the unidirectional earthquake excitation applied on equivalent SDOF system is replaced by the direct superposition of two components earthquake excitations, and independent analysis in each direction is not required and the application of simplified superposition formulas is avoided. The strength reduction factor spectra based on superposition of earthquake excitations are discussed and compared with the traditional strength reduction factor spectra. The step-by-step procedure is proposed to estimate seismic demands of structures. Two examples are implemented to verify the accuracy of the method, and the results of the examples show that (1 the IMMPA method can be used to estimate the responses of structure subjected to bidirectional earthquake excitations. (2 Along with increase of peak of earthquake acceleration, structural response deviation estimated with the IMMPA method may also increase. (3 Along with increase of the number of total floors of structures, structural response deviation estimated with the IMMPA method may also increase.

Electron spectra resulting from autoionization in low-energy Li+ + He collisions

International Nuclear Information System (INIS)

Yagishita, A.; Wakiya, K.; Takayanagi, T.; Suzuki, H.; Koike, F.

1979-09-01

Spectra of electrons ejected from doubly excited states of helium have been extensively measured at several observation angles fro impact with lithium ions at energies lower than 5 KeV. ''Molecular-autoionization'' spectra have been found at forward observation angles, and analyzed in terms of the Gerber-Niehaus theory with modification. The spectral shapes of atomic-autoionization peaks have been discussed in relation to both the Barker-Berry effect and the Doppler effect. Excitation cross sections of autoionizing states have been determined by a new method that uses simultaneous impact of ions and electrons. (author)

Resonant inelastic X-ray scattering spectra at the Ir L-edge in Na{sub 2}IrO{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Igarashi, Jun-ichi, E-mail: junichi.igarashi.kiryu@vc.ibaraki.ac.jp [Faculty of Science, Ibaraki University, Mito, Ibaraki 310-8512 (Japan); Nagao, Tatsuya, E-mail: nagao@gunma-u.ac.jp [Faculty of Engineering, Gunma University, Kiryu, Gunma 376-8515 (Japan)

2016-10-15

Highlights: • A theoretical framework of resonant inelastic X-ray scattering (RIXS) on the basis of the itinerant electron scheme has been developed. • The RIXS theory is applied to iridate Na{sub 2}IrO{sub 3}. • The origins of the multi-peak structure of the excitation spectra found in the RIXS experiment have been assigned to the magnetic and excitonic excitations. - Abstract: We analyze resonant X-ray scattering (RIXS) spectra in Na{sub 2}IrO{sub 3} on the basis of the itinerant electron picture. Employing a multi-orbital tight-binding model on a honeycomb lattice, we find that the zigzag magnetic order is the most stable with sizable energy gap in the one-electron band within the Hartree–Fock approximation. We derive the RIXS spectra, which are connected to the generalized density–density correlation function. We calculate the spectra as a function of excitation energy ω, within the random phase approximation. The spectra consist of the peaks with ω < 20 meV, and of the peaks with 0.4 < ω < 0.8 eV. The former peaks are composed of four bound states in the density–density correlation function, and may be identified as the magnetic excitations, while the latter peaks are composed of 16 bound states below the energy continuum of individual electron–hole pair excitations, and may be identified as the excitonic excitations. The calculated spectra agree qualitatively with the recent RIXS experiment.

Atomic and molecular effects in the VUV spectra of solids

International Nuclear Information System (INIS)

Sonntag, B.

1977-10-01

The VUV spectra of solids are often dominated by atomic or molecular effects, which clearly manifest themselves in the gross features of the spectra and the fine structure at inner shell excitation thresholds. Evidence for the influence of atomic and molecular matrix elements, multiplet-splitting and correlation is presented. Special emphasis is given to the direct experimental verification based on the comparison of atomic and solid state spectra. (orig.) [de

X-ray-excited optical luminescence of protein crystals: a new tool for studying radiation damage during diffraction data collection.

Science.gov (United States)

Owen, Robin L; Yorke, Briony A; Pearson, Arwen R

2012-05-01

During X-ray irradiation protein crystals radiate energy in the form of small amounts of visible light. This is known as X-ray-excited optical luminescence (XEOL). The XEOL of several proteins and their constituent amino acids has been characterized using the microspectrophotometers at the Swiss Light Source and Diamond Light Source. XEOL arises primarily from aromatic amino acids, but the effects of local environment and quenching within a crystal mean that the XEOL spectrum of a crystal is not the simple sum of the spectra of its constituent parts. Upon repeated exposure to X-rays XEOL spectra decay non-uniformly, suggesting that XEOL is sensitive to site-specific radiation damage. However, rates of XEOL decay were found not to correlate to decays in diffracting power, making XEOL of limited use as a metric for radiation damage to protein crystals. © 2012 International Union of Crystallography

Electronic excitation and Auger spectroscopy of hexamethyldissilane

International Nuclear Information System (INIS)

Souza, G.G.B. de; Azevedo e Souza, A.C. de; Martins, R.J.; Lucas, C.A.

1988-01-01

In this work, it is presented an spectroscopic study of Si 2 (CH 3 ) 6 which presents interesting characteristics in the Si - Si bond. Electron energy loss technique was used in the energy range of 500 - 200 eV for the electron beam. Electronic excitation spectra were obtained for the energy loss range from 5 to 30 eV, and also Auger spectra. (A.C.A.S.) [pt

Ultraviolet spectra of planetary nebulae

International Nuclear Information System (INIS)

Adams, S.; Seaton, M.J.

1982-01-01

Features observed in infrared spectra suggest that certain very low excitation (VLE) nebulae have low C/O abundance ratios (Cohen and Barlow 1980; Aitken and Roche 1982). Fluxes in the multiplets [O II] lambda 2470 and C II] lambda 2326 have been measured for the VLE nebula He He 2-131 = HD 138403 using IUE high-dispersion spectra. An analysis similar to that of Harrington et al. (1980) for IC 418 gives C/O = 0.3 for He 2-131, compared with C/O = 1.3 for IC 418 and 0.6 for the Sun. (author)

Excitation power dependence of photoluminescence spectra of GaSb type-II quantum dots in GaAs grown by droplet epitaxy

Energy Technology Data Exchange (ETDEWEB)

Kawazu, T., E-mail: KAWAZU.Takuya@nims.go.jp; Noda, T.; Sakuma, Y. [National Institute for Materials Science, 1-2-1 Sengen, Tsukuba, Ibaraki 305-0047 (Japan); Sakaki, H. [National Institute for Materials Science, 1-2-1 Sengen, Tsukuba, Ibaraki 305-0047 (Japan); Toyota Technological Institute, 2-12-1 Hisakata, Tempaku-ku, Nagoya 468-8511 (Japan)

2016-04-15

We investigated the excitation power P dependence of photoluminescence (PL) spectra of GaSb type-II quantum dots (QDs) in GaAs grown by droplet epitaxy. We prepared two QD samples annealed at slightly different temperatures (380 {sup o}C and 400 {sup o}C) and carried out PL measurements. The 20 {sup o}C increase of the annealing temperature leads to (1) about 140 and 60 times stronger wetting layer (WL) luminescence at low and high P, (2) about 45% large energy shift of QD luminescence with P, and (3) the different P dependence of the PL intensity ratio between the QD and the WL. These differences of the PL characteristics are explained by the effects of the WL.

[Micro-Raman and fluorescence spectra of several agrochemicals].

Science.gov (United States)

Xiao, Yi-lin; Zhang, Peng-xiang; Qian, Xiao-fan

2004-05-01

Raman and fluorescence spectra from several agrochemicals were measured, which are sold for the use in vegetables, fruits and grains. Characteristic vibration Raman peaks from some of the agrochemicals were recorded, hence the spectra can be used for their identification. Other marketed agrochemicals demonstrated strong fluorescence under 514.5 nm excitation. It was found that the fluorescence spectra of the agrochemicals are very different. According to these results one can detect the trace amount of agrochemicals left on the surface of fruits, vegetables and grains in situ and conveniently.

Ab Initio Potential Energy Surfaces for Both the Ground (X̃1A′ and Excited (A∼1A′′ Electronic States of HSiBr and the Absorption and Emission Spectra of HSiBr/DSiBr

Directory of Open Access Journals (Sweden)

Anyang Li

2012-01-01

Full Text Available Ab initio potential energy surfaces for the ground (X̃1A′ and excited (A˜A′′1 electronic states of HSiBr were obtained by using the single and double excitation coupled-cluster theory with a noniterative perturbation treatment of triple excitations and the multireference configuration interaction with Davidson correction, respectively, employing an augmented correlation-consistent polarized valence quadruple zeta basis set. The calculated vibrational energy levels of HSiBr and DSiBr of the ground and excited electronic states are in excellent agreement with the available experimental band origins. In addition, the absorption and emission spectra of HSiBr and DSiBr were calculated using an efficient single Lanczos propagation method and are in good agreement with the available experimental observations.

The sub-bandgap energy loss satellites in the RIXS spectra of beryllium compounds

International Nuclear Information System (INIS)

Kuusik, I.; Kaeaembre, T.; Kooser, K.; Pustovarov, V.; Ivanov, V.; Kukk, E.; Kikas, A.

2011-01-01

Research highlights: → Be 1s RIXS spectra have been measured in Be containing crystals phenakite and chrysoberyl. → A strong energy loss sideband to the elastic scattering peak similar to BeO is found in both minerals. → Additionally the Si 2p RIXS spectra of phenakite also show a strong energy loss sideband to the elastic scattering peak. → The energy loss shoulder appears to result from lattice relaxation in the absorption site. - Abstract: Resonant X-ray inelastic scattering spectra have been measured in BeO, phenakite (Be 2 SiO 4 ) and chrysoberyl (BeAl 2 O 4 ) with the excitation energy near the beryllium K edge. The RIXS spectra excited in the vicinity of the Be 1s core resonance show two principal features: the scattering on a valence excitation (which at higher excitation energies verges into the characteristic K α emission), and a remarkably strong energy loss sideband to the elastic scattering peak. The energy loss shoulder appears to result from lattice relaxation in the absorption site. The comparison of the RIXS spectra of phenakite, chrysoberyl and BeO shows that the strength of the low energy sideband differs greatly; it is strongest in BeO and weakest in phenakite. The Si 2p RIXS spectra of phenakite also display a similar strong sub-bandgap energy loss tail. To gain further insight to this process, transitions in a system with a single vibrational mode have been modelled. The phonon relaxation has been simulated empirically by 'smearing' the photoabsortion-populated vibrational levels with lower levels. This simple model is able to qualitatively explain this wide energy loss shoulder.

The sub-bandgap energy loss satellites in the RIXS spectra of beryllium compounds

Energy Technology Data Exchange (ETDEWEB)

Kuusik, I., E-mail: ivar@fi.tartu.ee [Institute of Physics, University of Tartu, Riia 142, 51014 Tartu (Estonia); Kaeaembre, T. [Institute of Physics, University of Tartu, Riia 142, 51014 Tartu (Estonia); Kooser, K. [Institute of Physics, University of Tartu, Riia 142, 51014 Tartu (Estonia); Department of Physics and Astronomy, University of Turku, Turku (Finland); Pustovarov, V.; Ivanov, V. [Ural State Technical University-UPI, Yekaterinburg (Russian Federation); Kukk, E. [Department of Physics and Astronomy, University of Turku, Turku (Finland); Kikas, A. [Institute of Physics, University of Tartu, Riia 142, 51014 Tartu (Estonia)

2011-07-15

Research highlights: {yields} Be 1s RIXS spectra have been measured in Be containing crystals phenakite and chrysoberyl. {yields} A strong energy loss sideband to the elastic scattering peak similar to BeO is found in both minerals. {yields} Additionally the Si 2p RIXS spectra of phenakite also show a strong energy loss sideband to the elastic scattering peak. {yields} The energy loss shoulder appears to result from lattice relaxation in the absorption site. - Abstract: Resonant X-ray inelastic scattering spectra have been measured in BeO, phenakite (Be{sub 2}SiO{sub 4}) and chrysoberyl (BeAl{sub 2}O{sub 4}) with the excitation energy near the beryllium K edge. The RIXS spectra excited in the vicinity of the Be 1s core resonance show two principal features: the scattering on a valence excitation (which at higher excitation energies verges into the characteristic K{sub {alpha}} emission), and a remarkably strong energy loss sideband to the elastic scattering peak. The energy loss shoulder appears to result from lattice relaxation in the absorption site. The comparison of the RIXS spectra of phenakite, chrysoberyl and BeO shows that the strength of the low energy sideband differs greatly; it is strongest in BeO and weakest in phenakite. The Si 2p RIXS spectra of phenakite also display a similar strong sub-bandgap energy loss tail. To gain further insight to this process, transitions in a system with a single vibrational mode have been modelled. The phonon relaxation has been simulated empirically by 'smearing' the photoabsortion-populated vibrational levels with lower levels. This simple model is able to qualitatively explain this wide energy loss shoulder.

Multiphoton-Excited Fluorescence of Silicon-Vacancy Color Centers in Diamond

Science.gov (United States)

Higbie, J. M.; Perreault, J. D.; Acosta, V. M.; Belthangady, C.; Lebel, P.; Kim, M. H.; Nguyen, K.; Demas, V.; Bajaj, V.; Santori, C.

2017-05-01

Silicon-vacancy color centers in nanodiamonds are promising as fluorescent labels for biological applications, with a narrow, nonbleaching emission line at 738 nm. Two-photon excitation of this fluorescence offers the possibility of low-background detection at significant tissue depth with high three-dimensional spatial resolution. We measure the two-photon fluorescence cross section of a negatively charged silicon vacancy (Si -V- ) in ion-implanted bulk diamond to be 0.74 (19 )×10-50 cm4 s /photon at an excitation wavelength of 1040 nm. Compared to the diamond nitrogen-vacancy center, the expected detection threshold of a two-photon excited Si -V center is more than an order of magnitude lower, largely due to its much narrower linewidth. We also present measurements of two- and three-photon excitation spectra, finding an increase in the two-photon cross section with decreasing wavelength, and we discuss the physical interpretation of the spectra in the context of existing models of the Si -V energy-level structure.

Collective excitations in nuclei

International Nuclear Information System (INIS)

Chomaz, Ph.

1998-01-01

The properties of the nucleus cannot be reduced to the properties of its constituents: it is a complex system. The fact that many properties of the nucleus are consequences of the existence of mean-field potential is a manifestation of this complexity. In particular, the nucleons can thus self-organize in collective motions such as giant resonances. Therefore the study of this collective motions is a very good tool to understand the properties of the nucleus itself. The purpose of this article is to stress some aspects of these collective vibrations. We have studied how an ensemble of fermions as the nucleus can self-organize in collective vibrations which are behaving like a gas of bosons in weak interaction. Understanding of these phenomena remains one of the important subjects of actuality in the context of quantal systems in strong interaction. In particular, the study of the states with one or two vibration quanta provides a direct information on the structure of nuclei close to their ground states. Moreover, some collective states appear to be very robust against the onset of chaos. This is the case of the hot giant dipole built on top of a hot nucleus which seems to survive up to rather high temperatures. Their sudden disappearance is still a subject of controversy. It may be that the mean-field and the associated collective states are playing a crucial role also in catastrophic processes such as the phase-transitions. Indeed, when the system is diluted the collective vibrations may become unstable and it seems that these unstable modes provide a natural explanation to the self organization of the system in drops. Finally, considering the diversity of the different structures of exotic nuclei one may expect new vibration types. All these studies are showing the diversity of the collective motions of strongly correlated quantum systems such as the nucleus but many open questions remain to be solved. (authors)

Collective excitations in nuclei

Energy Technology Data Exchange (ETDEWEB)

Chomaz, Ph. [Grand Accelerateur National d`Ions Lourds (GANIL), 14 - Caen (France); Collaboration: La Direction des Sciences de la Matiere du CEA (FR); Le Fonds National de la Recherche Scientifique de Belgique (BE)

1998-12-31

The properties of the nucleus cannot be reduced to the properties of its constituents: it is a complex system. The fact that many properties of the nucleus are consequences of the existence of mean-field potential is a manifestation of this complexity. In particular, the nucleons can thus self-organize in collective motions such as giant resonances. Therefore the study of this collective motions is a very good tool to understand the properties of the nucleus itself. The purpose of this article is to stress some aspects of these collective vibrations. We have studied how an ensemble of fermions as the nucleus can self-organize in collective vibrations which are behaving like a gas of bosons in weak interaction. Understanding of these phenomena remains one of the important subjects of actuality in the context of quantal systems in strong interaction. In particular, the study of the states with one or two vibration quanta provides a direct information on the structure of nuclei close to their ground states. Moreover, some collective states appear to be very robust against the onset of chaos. This is the case of the hot giant dipole built on top of a hot nucleus which seems to survive up to rather high temperatures. Their sudden disappearance is still a subject of controversy. It may be that the mean-field and the associated collective states are playing a crucial role also in catastrophic processes such as the phase-transitions. Indeed, when the system is diluted the collective vibrations may become unstable and it seems that these unstable modes provide a natural explanation to the self organization of the system in drops. Finally, considering the diversity of the different structures of exotic nuclei one may expect new vibration types. All these studies are showing the diversity of the collective motions of strongly correlated quantum systems such as the nucleus but many open questions remain to be solved. (authors) 304 refs., 53 figs., 5 tabs.

Ultra-high resolution spectroscopy of the He doubly excited states

International Nuclear Information System (INIS)

Bozek, J.D.; Schlachter, A.S.; Kaindl, G.; Schulz, K.

1995-11-01

Photoionization spectra of the doubly-excited states of He were measured using beamline 9.0.1 at the Advanced Light Source. The beamline utilizes a 4.5 m long 8 cm period undulator as its source together with a spherical grating monochromator to provide an extremely bright source of photons in the range of 20 - 300 eV. A resolving power (E/ΔE) of 64,000 was obtained from the 1 MeV FWEM (2p,3d) doubly excited state resonance of He at 64.12 eV. The high brightness of the source and the very high quality optical elements of the beamline were all essential for achieving such a high resolution. The beamline components and operation are described and spectra of the double excitation resonances of He presented

X-ray absorption spectroscopy of the chiral molecules fenchone, α-pinene, limonene and carvone in the C1s excitation region

Energy Technology Data Exchange (ETDEWEB)

Ozga, Christian, E-mail: ozga@physik.uni-kassel.de [Institute for Physics and CINSaT, University of Kassel, Heinrich-Plett Str. 40, 34132 Kassel (Germany); Jänkälä, Kari [Centre for Molecular Materials Research, University of Oulu, PO Box 3000, 90014 Oulu (Finland); Schmidt, Philipp; Hans, Andreas; Reiß, Philipp; Ehresmann, Arno; Knie, André [Institute for Physics and CINSaT, University of Kassel, Heinrich-Plett Str. 40, 34132 Kassel (Germany)

2016-02-15

Highlights: • Determination of the X-ray absorption spectra for two terpenoids and two terpenes. • Allocation of predominant or even site-selective excitation of stereocenters. • Fragment fluorescence spectra of the prototype molecules are identical. • Presented data can be used for future fluorescence circular dichroism experiments. - Abstract: Relative ionization cross sections and fluorescence intensities as functions of the exciting-photon energy were recorded for the chiral molecules carvone, α-pinene, limonene and fenchone after excitation by monochromatized synchrotron radiation with energies of the exciting-photons between 284 eV and 289 eV. At selected exciting-photon energies dispersed fragment fluorescence spectra in the wavelength range between 365 nm and 505 nm were obtained. Time dependent density functional theory (TD-DFT) computations were performed to analyze the experimentally observed resonance-structures. Comparison of the computed and recorded spectra demonstrates the possibility of a predominant or even specific excitation of one particular stereocenter site in a molecule with more than one stereocenter.

Excited levels of Pa-233

International Nuclear Information System (INIS)

Vara Cuadrado, J. M.

1969-01-01

A study of Pa-233 excited levels from the alpha decay of Np-237 and from beta decay of Th-233 has been performed. The alpha decay spectrum was measured with a semiconductor spectrometer of 18 keV effective resolution (FWHM). Over 13 new lines were identified. The gamma ray spectra of Np-237 and Th-233 were obtained with a Ge-Li detector low and medium range energy lines, and with Si-Li detector for the low energy region. A continuous purification method of Np-237 from its comparatively short-lived daughter Pa-233 was applied. A high number of new lines were identified in both spectra. The gamma-gamma coincidence spectra were obtained with INa(T 1 ) detectors. (Author) 54 refs

Fourier transform spectra of quantum dots

Science.gov (United States)

Damian, V.; Ardelean, I.; Armăşelu, Anca; Apostol, D.

2010-05-01

Semiconductor quantum dots are nanometer-sized crystals with unique photochemical and photophysical properties that are not available from either isolated molecules or bulk solids. These nanocrystals absorb light over a very broad spectral range as compared to molecular fluorophores which have very narrow excitation spectra. High-quality QDs are proper to be use in different biological and medical applications (as fluorescent labels, the cancer treatment and the drug delivery). In this article, we discuss Fourier transform visible spectroscopy of commercial quantum dots. We reveal that QDs produced by Evident Technologies when are enlightened by laser or luminescent diode light provides a spectral shift of their fluorescence spectra correlated to exciting emission wavelengths, as shown by the ARCspectroNIR Fourier Transform Spectrometer. In the final part of this paper we show an important biological application of CdSe/ZnS core-shell ODs as microbial labeling both for pure cultures of cyanobacteria (Synechocystis PCC 6803) and for mixed cultures of phototrophic and heterotrophic microorganisms.

[Experimental study on spectra of compressed air microwave plasma].

Science.gov (United States)

Liu, Yong-Xi; Zhang, Gui-Xin; Wang, Qiang; Hou, Ling-Yun

2013-03-01

Using a microwave plasma generator, compressed air microwave plasma was excited under 1 - 5 atm pressures. Under different pressures and different incident microwave power, the emission spectra of compressed air microwave plasma were studied with a spectra measuring system. The results show that continuum is significant at atmospheric pressure and the characteristic will be weakened as the pressure increases. The band spectra intensity will be reduced with the falling of the incident microwave power and the band spectra were still significant. The experimental results are valuable to studying the characteristics of compressed air microwave plasma and the generating conditions of NO active groups.

Excited-state relaxation of some aminoquinolines

Directory of Open Access Journals (Sweden)

2006-01-01

Full Text Available The absorption and fluorescence spectra, fluorescence quantum yields and lifetimes, and fluorescence rate constants ( k f of 2-amino-3-( 2 ′ -benzoxazolylquinoline (I, 2-amino-3-( 2 ′ -benzothiazolylquinoline (II, 2-amino-3-( 2 ′ -methoxybenzothiazolyl-quinoline (III, 2-amino-3-( 2 ′ -benzothiazolylbenzoquinoline (IV at different temperatures have been measured. The shortwavelength shift of fluorescence spectra of compounds studied (23–49 nm in ethanol as the temperature decreases (the solvent viscosity increases points out that the excited-state relaxation process takes place. The rate of this process depends essentially on the solvent viscosity, but not the solvent polarity. The essential increasing of fluorescence rate constant k f (up to about 7 times as the solvent viscosity increases proves the existence of excited-state structural relaxation consisting in the mutual internal rotation of molecular fragments of aminoquinolines studied, followed by the solvent orientational relaxation.

Large degeneracy of excited hadrons and quark models

International Nuclear Information System (INIS)

Bicudo, P.

2007-01-01

The pattern of a large approximate degeneracy of the excited hadron spectra (larger than the chiral restoration degeneracy) is present in the recent experimental report of Bugg. Here we try to model this degeneracy with state of the art quark models. We review how the Coulomb Gauge chiral invariant and confining Bethe-Salpeter equation simplifies in the case of very excited quark-antiquark mesons, including angular or radial excitations, to a Salpeter equation with an ultrarelativistic kinetic energy with the spin-independent part of the potential. The resulting meson spectrum is solved, and the excited chiral restoration is recovered, for all mesons with J>0. Applying the ultrarelativistic simplification to a linear equal-time potential, linear Regge trajectories are obtained, for both angular and radial excitations. The spectrum is also compared with the semiclassical Bohr-Sommerfeld quantization relation. However, the excited angular and radial spectra do not coincide exactly. We then search, with the classical Bertrand theorem, for central potentials producing always classical closed orbits with the ultrarelativistic kinetic energy. We find that no such potential exists, and this implies that no exact larger degeneracy can be obtained in our equal-time framework, with a single principal quantum number comparable to the nonrelativistic Coulomb or harmonic oscillator potentials. Nevertheless we find it plausible that the large experimental approximate degeneracy will be modeled in the future by quark models beyond the present state of the art

Excited states 2

CERN Document Server

Lim, Edward C

2013-01-01

Excited States, Volume 2 is a collection of papers that deals with molecules in the excited states. The book describes the geometries of molecules in the excited electronic states. One paper describes the geometries of a diatomic molecule and of polyatomic molecules; it also discusses the determination of the many excited state geometries of molecules with two, three, or four atoms by techniques similar to diatomic spectroscopy. Another paper introduces an ordered theory related to excitons in pure and mixed molecular crystals. This paper also presents some experimental data such as those invo

Determination of rare-earth elements in rocks by isotope-excited X-ray fluorescence spectrometry

DEFF Research Database (Denmark)

Kunzendorf, Helmar; Wollenberg, H.A.

1970-01-01

Isotope-excited X-ray fluorescence spectrometry furnishes a rapid determination of rare-earth elements in unprepared rock samples. The samples are excited by 241Am γ-rays, generating X-ray spectra on a multichannel pulse-height analyser. Gaussian peaks of the Kα and Kβ X-ray energies are treated ......-ray spectrometric scan of a longitudinally sliced drill core showed a close correlation between rare-earth abundances and appropriate minerals.......Isotope-excited X-ray fluorescence spectrometry furnishes a rapid determination of rare-earth elements in unprepared rock samples. The samples are excited by 241Am γ-rays, generating X-ray spectra on a multichannel pulse-height analyser. Gaussian peaks of the Kα and Kβ X-ray energies are treated...

Photoluminescence varied by selective excitation in BiGdWO6:Eu3+ phosphor

Science.gov (United States)

Pavani, K.; Graça, M. P. F.; Kumar, J. Suresh; Neves, A. J.

2017-12-01

Eu3+ doped bismuth gadolinium tungstate (BGW), a simplest member of Aurivillius family of layered perovskites, was synthesized by solid-state reaction method. Structural characterisation has been performed by X-Ray diffraction (XRD), Raman spectroscopy, Fourier Transform Infrared spectroscopy (FTIR) and scanning electron microscopy (SEM). Band gap of the host matrix has been calculated using reflectance and absorption spectra. Three different mechanisms were found to explain the excitation of Eu3+ ions and are described in detail. Photoluminescence (PL) spectra of the BGW phosphor doped with Eu3+ ions consist of major emission lines associated with 5D0 → 7FJ (J = 0, 1, 2, 3 and 4) of Eu3+ ion. Site selective PL excitation and emission indicates that Eu3+ ions doped in BiGdWO6 are sensitive to the excitation wavelength without change in the structure. Change in emission spectra were observed when the excitation wavelength was changed. Judd-Ofelt (J-O) parameters were determined from the indirect method to interpret the interactions between the host and dopant ions along with detailed analysis of lifetime measurements.

Electronic spectra and structures of some biologically important xanthines

Science.gov (United States)

Shukla, M. K.; Mishra, P. C.

1994-08-01

Electronic absorption and fluorescence spectra of aqueous solutions of xanthine, caffeine, theophylline and theobromine have been studied at different pH. The observed spectra have been interpreted in terms of neutral and ionic forms of the molecules with the help of molecular orbital calculations. At neutral and acidic pH, the spectra can be assigned to the corresponding most stable neutral forms, with the exception that the fluorescence of xanthine at acidic pH appears to originate from the lowest singlet excited state of a cation of the molecule. At alkaline pH, xanthine and theophylline exist mainly as their monoanions. In xanthine and theophylline at alkaline pH, fluorescence originates from the lowest singlet excited state of the corresponding anion. However, in caffeine and theobromine, even at alkaline pH, fluorescence belongs to the neutral species. On the whole, the properties of xanthine are quite different from those of the methyl xanthines.

Fluorescence anisotropy of tyrosinate anion using one-, two- and three-photon excitation: tyrosinate anion fluorescence.

Science.gov (United States)

Kierdaszuk, Borys

2013-03-01

We examined the emission spectra and steady-state anisotropy of tyrosinate anion fluorescence with one-photon (250-310 nm), two-photon (570-620 nm) and three-photon (750-930 nm) excitation. Similar emission spectra of the neutral (pH 7.2) and anionic (pH 13) forms of N-acetyl-L-tyrosinamide (NATyrA) (pKa 10.6) were observed for all modes of excitation, with the maxima at 302 and 352 nm, respectively. Two-photon excitation (2PE) and three-photon excitation (3PE) spectra of the anionic form were the same as that for one-photon excitation (1PE). In contrast, 2PE spectrum from the neutral form showed ~30-nm shift to shorter wavelengths relative to 1PE spectrum (λmax 275 nm) at two-photon energy (550 nm), the latter being overlapped with 3PE spectrum, both at two-photon energy (550 nm). Two-photon cross-sections for NATyrA anion at 565-580 nm were 10 % of that for N-acetyl-L-tryptophanamide (NATrpA), and increased to 90 % at 610 nm, while for the neutral form of NATyrA decreased from 2 % of that for NATrpA at 570 nm to near zero at 585 nm. Surprisingly, the fundamental anisotropy of NATyrA anion in vitrified solution at -60 °C was ~0.05 for 2PE at 610 nm as compared to near 0.3 for 1PE at 305 nm, and wavelength-dependence appears to be a basic feature of its anisotropy. In contrast, the 3PE anisotropy at 900 nm was about 0.5, and 3PE and 1PE anisotropy values appear to be related by the cos(6) θ to cos(2) θ photoselection factor (approx. 10/6) independently of excitation wavelength. Attention is drawn to the possible effect of tyrosinate anions in proteins on their multi-photon induced fluorescence emission and excitation spectra as well as excitation anisotropy spectra.

Investigation of collective excitations in fluid neon by coherent neutron scattering at small scattering vectors

International Nuclear Information System (INIS)

Bell, H.G.

1976-07-01

The energy spectra of Ne studied under different temperatures and pressures with the aid of inelastic, coherent neutron scattering can be described by a scattering law derived from the basic hydrodynamic equations. The Brillouin lines found with very small momentum transfer 0.06 A -1 -1 are interpreted as collective, adiabatic pressure fluctuations. (orig./WL) [de

UV Resonant Raman Spectrometer with Multi-Line Laser Excitation

Science.gov (United States)

Lambert, James L.; Kohel, James M.; Kirby, James P.; Morookian, John Michael; Pelletier, Michael J.

2013-01-01

A Raman spectrometer employs two or more UV (ultraviolet) laser wavel engths to generate UV resonant Raman (UVRR) spectra in organic sampl es. Resonant Raman scattering results when the laser excitation is n ear an electronic transition of a molecule, and the enhancement of R aman signals can be several orders of magnitude. In addition, the Ra man cross-section is inversely proportional to the fourth power of t he wavelength, so the UV Raman emission is increased by another fact or of 16, or greater, over visible Raman emissions. The Raman-scatter ed light is collected using a high-resolution broadband spectrograph . Further suppression of the Rayleigh-scattered laser light is provi ded by custom UV notch filters.

Excitation and photon decay of giant multipole resonances

International Nuclear Information System (INIS)

Bertrand, F.E.; Beene, J.R.

1990-01-01

A brief review of the excitation of giant multipole resonances via Coulomb excitation is given which emphasizes the very large cross sections that can be realized through this reaction for both isoscalar and isovector resonances. Discussion and results where available, are provide for the measurement of the photon decay of one and two phonon giant resonances. It is pointed out throughout the presentation that the use of E1 photons as a ''tag'' provides a means to observe weakly excited resonances that cannot be observed in the singles spectra. 14 refs., 12 figs., 1 tab

The Raman and SERS spectra of indigo and indigo-Ag2 complex: DFT calculation and comparison with experiment.

Science.gov (United States)

Ricci, Marilena; Lofrumento, Cristiana; Becucci, Maurizio; Castellucci, Emilio M

2018-01-05

Using time-dependent density functional theory in conjunction with B3LYP functional and LANL2DZ/6-31+g(d,p) basis sets, static and pre-resonance Raman spectra of the indigo-Ag 2 complex have been calculated. Structure optimization, excitation energies and pre-resonance Raman spectra of the indigo molecule have been obtained at the same level of theory. The available experimental Raman spectra at 1064, 785 and 514nm and the SERS spectra at 785 and 514nm have been well reproduced by the calculation. Experimental SERS spectra are confronted with the calculated pre-resonance Raman spectra obtained for the indigo-Ag 2 complex. The Raman activities calculated under the infinite lifetime approximation show a strong dependence upon the proximity to the energy and the oscillator strength of the excitation electronic transition. The comparison of the integrated EFs for indigo and indigo-Ag 2 calculated Raman spectra, gave some hints as to the enhancement mechanisms acting for the different excitation wavelengths. Whereas for excitation at a wavelength corresponding to 785nm, the enhancement mechanism for the Raman spectrum of the metal complex seems the chemical one, the strong increment (ten times) of the integrated EF of the Raman spectra of the complex in the case of 514nm excitation, suggests the onset of other enhancement mechanisms. Assuming that intra-cluster transitions with high oscillator strength can be thought of as to mimic surface plasmons excitations, we suggest the onset of the electromagnetic mechanisms (EM) as the origin of the Raman spectrum enhancement. Nevertheless, other enhancement effects cannot be ruled out, as a new molecular transition gains strength in the proximity of the excitation wavelength, as a consequence of the symmetry lowering of the molecule in the complex. A large variation across vibrational modes, by a factor of at least 10 4 , was found for the EFs. This large variation in the EFs can indicate that B-term Herzberg-Teller scattering

Coulomb-nuclear interference (CNI) results of the collective quadrupolar excitations in odd and even Ru isotopes

International Nuclear Information System (INIS)

Rodrigues, C.L.; Rodrigues, M.R.D.; Borello-Lewin, T.; Horodynski-Matsushigue, L.B.; Duarte, J. L.M.; Hanninger, G.N.; Ukita, G.M.

2004-01-01

The study of the odd 99,101 Ru nuclei complements the investigation of the collectivity of the first quadrupolar excitations in 100,102,104 Ru. Angular distributions for the 99,101 Ru(d, d') reactions at 13 MeV were obtained in the Pelletron Laboratory using nuclear emulsion plates on the focal plane of the Enge spectrograph. A Coulomb- Nuclear Interference analysis employing DWBA-DOMP predictions with global optical potential parameters was applied to the excitation of states which could belong to the multiplet built on the first quadrupolar excitation of the core. In the analysis, three states were identified for each of the isotopes and associated, respectively, with adopted levels in the Nuclear Data Sheets Compilation of Jπ = 5=2 + , 7=2 + and 9=2 + . Through the comparison of experimental and predicted cross section angular distributions, the values of (δ L N ) 2 and of the ratio C = δ L C /δ L N were obtained. (author)

Collective excitations and the nature of Mott transition in undoped gapped graphene

International Nuclear Information System (INIS)

Jafari, S A

2012-01-01

The particle-hole continuum (PHC) for massive Dirac fermions provides an unprecedented opportunity for the formation of two collective split-off states, one in the singlet and the other in the triplet (spin-1) channel, when the short-range interactions are added to the undoped system. Both states are close in energy and are separated from the continuum of free particle-hole excitations by an energy scale of the order of the gap parameter Δ. They both disperse linearly with two different velocities, reminiscent of spin-charge separation in Luttinger liquids. When the strength of Hubbard interactions is stronger than a critical value, the velocity of singlet excitation, which we interpret as a charge composite boson, becomes zero and renders the system a Mott insulator. Beyond this critical point the low-energy sector is left with a linearly dispersing triplet mode - a characteristic of a Mott insulator. The velocity of the triplet mode at the Mott criticality is twice the velocity of the underlying Dirac fermions. The phase transition line in the space of U and Δ is in qualitative agreement with our previous dynamical mean field theory calculations. (paper)

Resonance Raman spectra of wurtzite and zincblende CdSe nanocrystals

Energy Technology Data Exchange (ETDEWEB)

Kelley, Anne Myers, E-mail: amkelley@ucmerced.edu [Chemistry and Chemical Biology, School of Natural Sciences, University of California, 5200 North Lake Road, Merced, CA 95343 (United States); Dai, Quanqin; Jiang, Zhong-jie; Baker, Joshua A.; Kelley, David F. [Chemistry and Chemical Biology, School of Natural Sciences, University of California, 5200 North Lake Road, Merced, CA 95343 (United States)

2013-08-30

Highlights: ► Very similar resonance Raman spectra of wurtzite and zincblende CdSe nanocrystals. ► First absolute resonance Raman cross-sections reported for CdSe nanocrystals. ► LO overtones suggest slightly stronger electron–phonon coupling in wurtzite form. - Abstract: Resonance Raman spectra and absolute differential Raman cross-sections have been measured for CdSe nanocrystals in both the wurtzite and zincblende crystal forms at four excitation wavelengths from 457.9 to 514.5 nm. The frequency and bandshape of the longitudinal optical (LO) phonon fundamental is essentially identical for both crystal forms at each excitation wavelength. The LO phonon overtone to fundamental intensity ratio appears to be slightly higher for the wurtzite form, which may suggest slightly stronger exciton–phonon coupling from the Fröhlich mechanism in the wurtzite form. The LO fundamental Raman cross-sections are very similar for both crystal forms at each excitation wavelength.

Demystifying autofluorescence with excitation scanning hyperspectral imaging

Science.gov (United States)

Deal, Joshua; Harris, Bradley; Martin, Will; Lall, Malvika; Lopez, Carmen; Rider, Paul; Boudreaux, Carole; Rich, Thomas; Leavesley, Silas J.

2018-02-01

Autofluorescence has historically been considered a nuisance in medical imaging. Many endogenous fluorophores, specifically, collagen, elastin, NADH, and FAD, are found throughout the human body. Diagnostically, these signals can be prohibitive since they can outcompete signals introduced for diagnostic purposes. Recent advances in hyperspectral imaging have allowed the acquisition of significantly more data in a shorter time period by scanning the excitation spectra of fluorophores. The reduced acquisition time and increased signal-to-noise ratio allow for separation of significantly more fluorophores than previously possible. Here, we propose to utilize excitation-scanning of autofluorescence to examine tissues and diagnose pathologies. Spectra of autofluorescent molecules were obtained using a custom inverted microscope (TE-2000, Nikon Instruments) with a Xe arc lamp and thin film tunable filter array (VersaChrome, Semrock, Inc.) Scans utilized excitation wavelengths from 360 nm to 550 nm in 5 nm increments. The resultant spectra were used to examine hyperspectral image stacks from various collaborative studies, including an atherosclerotic rat model and a colon cancer study. Hyperspectral images were analyzed with ENVI and custom Matlab scripts including linear spectral unmixing (LSU) and principal component analysis (PCA). Initial results suggest the ability to separate the signals of endogenous fluorophores and measure the relative concentrations of fluorophores among healthy and diseased states of similar tissues. These results suggest pathology-specific changes to endogenous fluorophores can be detected using excitationscanning hyperspectral imaging. Future work will expand the library of pure molecules and will examine more defined disease states.

Excited states configurations of the quantum Toda lattice

International Nuclear Information System (INIS)

Matsuyama, A.

2001-01-01

Excited states configurations of the quantum Toda lattice are studied by the direct diagonalization of the Hamiltonian. The most probable configurations of one-hole and one-particle excitations are shown to be similar to the profiles of classical phonon and soliton excitations, respectively. One-hole excitation states, which are always ground states of definite E m -symmetry of the dihedral group D N , change those structures abruptly with the potential range varied. One-particle excitations, which are buried in complicated excitation spectra, have well-defined configurations similar to the conoidal profile of the classical periodic Toda lattice. The relationship that the hole (particle) excitations in quantum mechanics correspond to the phonon (soliton) excitations in classical mechanics, which has been suggested based on the similarity of dispersion relations, is confirmed in a geometrically understandable way. Based on the study of one-soliton and two-soliton states, the structure of multi-soliton states in quantum mechanics can be conjectured

Tsunami excitation by inland/coastal earthquakes: the Green function approach

Directory of Open Access Journals (Sweden)

T. B. Yanovskaya

2003-01-01

Full Text Available In the framework of the linear theory, the representation theorem is derived for an incompressible liquid layer with a boundary of arbitrary shape and in a homogeneous gravity field. In addition, the asymptotic representation for the Green function, in a layer of constant thickness is obtained. The validity of the approach for the calculation of the tsunami wavefield based on the Green function technique is verified comparing the results with those obtained from the modal theory, for a liquid layer of infinite horizontal dimensions. The Green function approach is preferable for the estimation of the excitation spectra, since in the case of an infinite liquid layer it leads to simple analytical expressions. From this analysis it is easy to describe the peculiarities of tsunami excitation by different sources. The method is extended to the excitation of tsunami in a semiinfinite layer with a sloping boundary. Numerical modelling of the tsunami wavefield, excited by point sources at different distances from the coastline, shows that when the source is located at a distance from the coastline equal or larger than the source depth, the shore presence does not affect the excitation of the tsunami. When the source is moved towards thecoastline, the low frequency content in the excitation spectrum ecreases, while the high frequencies content increases dramatically. The maximum of the excitation spectra from inland sources, located at a distance from the shore like the source depth, becomes less than 10% of that radiated if the same source is located in the open ocean. The effect of the finiteness of the source is also studied and the excitation spectrum is obtained by integration over the fault area. Numerical modelling of the excitation spectra for different source models shows that, for a given seismic moment, the spectral level, as well as the maximum value of the spectra, decreases with increasing fault size. When the sources are located in the

On the excitation spectra of Cr{sup 3+}/Cr{sup 2+} and V{sup 3+} co-doped ZnAl{sub 2}S{sub 4} single crystals

Energy Technology Data Exchange (ETDEWEB)

Anghel, S., E-mail: anggell@gmail.com [Institute of Applied Physics, Academiei Str 5, Chis,inău MD-2028, Republic of Moldova (Moldova, Republic of); Ruhr-Universität Bochum, Anorganische Chemie III, Universitätsstrasse 150, D-44801 Bochum (Germany); Brik, M.G. [College of Sciences, Chongqing University of Posts and Telecommunications, Chongqing 400065 (China); Institute of Physics, University of Tartu, Ravila 14 C, Tartu 50411 (Estonia); Institute of Physics, Jan Dlugosz University, Armii Krajowej 13/15, PL-42200 Czestochowa (Poland); Institute of Physics, Polish Academy of Sciences, Aleja Lotników 32/46, 02-668 Warsaw (Poland); Ma, C.-G. [College of Sciences, Chongqing University of Posts and Telecommunications, Chongqing 400065 (China); Sushkevich, K. [State University of Moldova, Mateevici Str 60, Chis,inău MD-2009, Republic of Moldova (Moldova, Republic of); Kulyuk, L. [Institute of Applied Physics, Academiei Str 5, Chis,inău MD-2028, Republic of Moldova (Moldova, Republic of)

2015-10-15

The excitation spectra of the ZnAl{sub 2}S{sub 4} spinel crystals codoped with chromium and vanadium are investigated in order to explain some features of the Cr{sup 3+} ions optical spectra and the inconsistency of the experimental absorption/emission bands position with the Tanabe–Sugano diagram, as well as the “missing” band in the absorption spectrum of V{sup 3+} ion although this band should be present as it is due to a spin allowed transition. The unusual high Racah parameters of the C/B ratio for Cr{sup 3+} ions have been induced to recalculate the Tanabe–Sugano diagram for the d{sup 3} electron configuration and the ratio C/B=8 in order to use it for the experimental results interpretation. The presence of Cr{sup 2+} ions in the low spin electron configurations in the octahedral coordination was confirmed; the temperature dependence of the Cr{sup 2+} emission at about 1.9 eV was studied and the Huang–Rhys factors were estimated for different temperatures. Despite the fact that the V{sup 3+}C/B ratio has a different value compared to the case of Cr{sup 3+} ions, the electron–phonon interaction is similar for both ions, with the Huang–Rhys parameter equal to 10 in both cases. Further research into optimizing the ZnAl{sub 2}S{sub 4}:Cr, V system to get an efficient enhancement of the vanadium emission on account on re-absorbing the chromium emission is suggested. - Highlights: • The spectroscopic properties of Cr and V codoped α-ZnAI{sub 2}S{sub 4} have been investigated. • The crystal field calculations have been performed. • The Huang–Rhys factors have been estimated for different temperatures. • The theoretical calculations have been correlated with the excitation spectra.

Collective excitations in nuclei

International Nuclear Information System (INIS)

Chomaz, Ph.

1997-01-01

The properties of the nucleus cannot be reduced to the properties of its constituents: it is a complex system. The fact that many properties of the nucleus are consequences of the existence of mean-field potential is a manifestation of this complexity. In particular the nucleons can thus self-organize in collective motions such as giant resonances. Therefore the study of these collective motions is a very good to understand the properties of the nucleus itself. The purpose of this article was to stress some aspects of these collective vibrations. In particular we have studied how an ensemble of fermions as the nucleus can self-organize in collective vibrations which are behaving like a gas of bosons in weak interaction. The understanding of these phenomena remains one of the important subjects of actually in the context of quantal systems in strong interaction. In particular the study of the states with one or two vibration quanta provides a direct information on the structure if nuclei close to their ground states. (author)

Collective excitations in nuclei

Energy Technology Data Exchange (ETDEWEB)

Chomaz, Ph

1997-12-31

The properties of the nucleus cannot be reduced to the properties of its constituents: it is a complex system. The fact that many properties of the nucleus are consequences of the existence of mean-field potential is a manifestation of this complexity. In particular the nucleons can thus self-organize in collective motions such as giant resonances. Therefore the study of these collective motions is a very good to understand the properties of the nucleus itself. The purpose of this article was to stress some aspects of these collective vibrations. In particular we have studied how an ensemble of fermions as the nucleus can self-organize in collective vibrations which are behaving like a gas of bosons in weak interaction. The understanding of these phenomena remains one of the important subjects of actually in the context of quantal systems in strong interaction. In particular the study of the states with one or two vibration quanta provides a direct information on the structure if nuclei close to their ground states. (author) 270 refs.

Photoelectron spectra of N2+: Rotational line profiles studied with HeI-excited angle-resolved spectroscopy and with synchrotron radiation

International Nuclear Information System (INIS)

Ohrwall, G.; Baltzer, P.; Bozek, J.

2004-01-01

We have recorded angle-resolved He I photoelectron spectra of the three outer most valence states in N+2, with high enough resolution to observe rotational line profiles. For the two Sigma states, the X 2 Sigma +g and the B 2 Sigma +u, we found that the rotational branches corresponding to different changes in rotational quantum number can differ dramatically in beta value. The well-known difference in beta value for the nu=0 and nu =1 vibrations of the X 2 Sigma +g state was found to be due to different rotational branching ratios and also different beta values of the rotational branches. For the nu=0-2 vibrations of the A 2 Pi u state, the beta value difference between rotational branches is much less pronounced than in the X and B states. We have also recorded synchrotron-radiation-excited photoelectron spectra of the nu=0 vibrational peaks of the X 2 Sigma +g and B 2 Sigma +u states where rotational line profiles are resolved. The intensities of the rotational branches were studied as function of photon energy, the X state between 23 and 65 eV, and We have recorded angle-resolved He I photoelectron spectra of the three outermost valence states in N+2, with high enough resolution to observe rotational line profiles. For the two Sigma states, the X 2 Sigma +g and the B 2 Sigma +u, we found that the rotational branches corresponding to different changes in rotational quantum number can differ dramatically in beta value. The well-known difference in beta value for the nu=0 and nu=1 vibrations of the X 2 Sigma +g state was found to be due to different rotational branching ratios and also different beta values of the rotational branches. For the nu=0-2 vibrations of the A 2 Pi u state, the beta value difference between rotational branches is much less pronounced than in the X and B states. We have also recorded synchrotron-radiation-excited photoelectron spectra of the nu=0 vibrational peaks of the X 2 Sigma +g and B 2 Sigma +u states where rotational line profiles a

Can Measured Synergy Excitations Accurately Construct Unmeasured Muscle Excitations?

Science.gov (United States)

Bianco, Nicholas A; Patten, Carolynn; Fregly, Benjamin J

2018-01-01

Accurate prediction of muscle and joint contact forces during human movement could improve treatment planning for disorders such as osteoarthritis, stroke, Parkinson's disease, and cerebral palsy. Recent studies suggest that muscle synergies, a low-dimensional representation of a large set of muscle electromyographic (EMG) signals (henceforth called "muscle excitations"), may reduce the redundancy of muscle excitation solutions predicted by optimization methods. This study explores the feasibility of using muscle synergy information extracted from eight muscle EMG signals (henceforth called "included" muscle excitations) to accurately construct muscle excitations from up to 16 additional EMG signals (henceforth called "excluded" muscle excitations). Using treadmill walking data collected at multiple speeds from two subjects (one healthy, one poststroke), we performed muscle synergy analysis on all possible subsets of eight included muscle excitations and evaluated how well the calculated time-varying synergy excitations could construct the remaining excluded muscle excitations (henceforth called "synergy extrapolation"). We found that some, but not all, eight-muscle subsets yielded synergy excitations that achieved >90% extrapolation variance accounted for (VAF). Using the top 10% of subsets, we developed muscle selection heuristics to identify included muscle combinations whose synergy excitations achieved high extrapolation accuracy. For 3, 4, and 5 synergies, these heuristics yielded extrapolation VAF values approximately 5% lower than corresponding reconstruction VAF values for each associated eight-muscle subset. These results suggest that synergy excitations obtained from experimentally measured muscle excitations can accurately construct unmeasured muscle excitations, which could help limit muscle excitations predicted by muscle force optimizations.

Nonlinear behavior of photoluminescence from silicon particles under two-photon excitation

International Nuclear Information System (INIS)

Xu Xingsheng; Yokoyama, Shiyoshi

2011-01-01

Two-photon excited fluorescence (TPEF) under continuous-wave excitation from silicon particles produced by a pulsed laser is investigated. Spectra and images of TPEF from silicon particles are studied under different excitation intensities and operation modes (continuous wave or pulse). It is found that the photoluminescence depends superlinearly on the excitation intensity and that the spectral shape and peaks vary with different silicon particles. The above phenomena show the nonlinear behavior of TPEF from silicon particles, and stimulated emission is a possible process.

Near-infrared H2 emission from Herbig-Haro objects. I. A survey of low excitation objects

International Nuclear Information System (INIS)

Schwartz, R.D.; Cohen, M.; Williams, P.M.

1987-01-01

A survey for H 2 1-0 S(1) emission in 16 Herbig-Haro (HH) objects and three exciting stars for HH objects is reported. Eleven HH objects which show low-excitation optical spectra exhibit H 2 emission. One object (HH 43) is more than twice as bright as any previously reported HH object. In addition, spectra in the range 1.6-2.55 microns are reported for HH 43 and HH 120, and a 2.0-2.55 micron spectrum is presented for HH 26. The spectra yield estimates of the H 2 density and temperature ranges in these objects. The role of ultraviolet H 2 emission-line fluorescence in HH 43 with respect to cascading among excited vibrational states of the ground electronic state is discussed. Models which may account for the combined ultraviolet, optical, and near-IR spectra of HHs are briefly analyzed. 35 references

Emission spectra of alkali-metal (K,Na,Li)-He exciplexes in cold helium gas

International Nuclear Information System (INIS)

Enomoto, K.; Hirano, K.; Kumakura, M.; Takahashi, Y.; Yabuzaki, T.

2004-01-01

We have observed emission spectra of excimers and exciplexes composed of a light alkali-metal atom in the first excited state and 4 He atoms [K*He n (n=1-6), Na * He n (n=1-4), and Li * He n (n=1,2)] in cryogenic He gas (the temperature 2 K -1 . Differently from exciplexes with heavier alkali-metal atoms, the spectra for the different number of He atoms were well separated, so that their assignment could be made experimentally. Comparing with the spectra of K * He n , we found that the infrared emission spectrum of the K atom excited in liquid He was from K*He 6 . To confirm the assignment, we have also carried out ab initio calculation of adiabatic potential curves and peak positions of the emission spectra of the exciplexes

Contribution to the study of collective states of heavy nuclei by means of coulomb excitation; Contribution a l'etude des etats collectifs des noyaux lourds par excitation coulombienne

Energy Technology Data Exchange (ETDEWEB)

Barloutaud, R [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

1958-06-15

The following nuclei were excited by protons of 5 MeV maximum energy: {sup 182}W - {sup 184}W - {sup 186}W - {sup 186}Os - {sup 188}Os - {sup 189}Os - {sup 190}Os - {sup 192}Os - {sup 194}Pt - {sup 196}Pt - {sup 198}Pt - {sup 198}Hg - {sup 200}Hg - {sup 202}Hg - {sup 204}Hg - {sup 206}Pb. The reduced probabilities of the various transitions were deduced from the coulomb excitation cross-section measurements. For some even-even nuclei two 2 + levels were excited. The properties of the excited levels are interpreted in terms of the collective model. (author) [French] Au moyen de protons d'energie inferieure a 5 MeV, l'excitation coulombienne des noyaux suivants a ete etudiee: {sup 182}W - {sup 184}W - {sup 186}W - {sup 186}Os - {sup 188}Os - {sup 189}Os - {sup 190}Os - {sup 192}Os - {sup 194}Pt - {sup 196}Pt - {sup 198}Pt - {sup 198}Hg - {sup 200}Hg - {sup 202}Hg - {sup 204}Hg - {sup 206}Pb. La mesure de la section efficace d'excitation coulombienne a permis de deduire les -probabilites reduites des diverses transitions observees. Dans certains noyaux pair-pair, deux niveaux de caractere 2 + ont ete excites. L'interpretation de ces niveaux en termes de niveaux de rotation et de niveaux de vibration a l'aide du modele collectif est discutee. En particulier, la variation des proprietes de ces niveaux avec la deformation nucleaire permet de fixer des limites a la validite des diverses hypotheses entrant dans le modele collectif. (auteur)

Boson and fermion degrees of freedom in the orthosymplectic extension of the IVBM: Odd-odd nuclear spectra

International Nuclear Information System (INIS)

Ganev, H. G.; Georgieva, A. I.

2008-01-01

The dynamical symmetry group Sp(12, R) of the Interacting Vector Boson Model (IVBM) is extended to the orthosymplectic group OSp(2Ω/12, R) in order to incorporate fermion degrees of freedom. The structure of even-even nuclei is used as a core on which the collective excitations of the neighboring odd-mass and odd-odd nuclei are build on. Hence, the spectra of odd-mass and odd-odd nuclei arise as a result of the coupling of the fermion degrees of freedom, specified by the fermion sector SOF (2Ω) to the boson core, whose states belong to an Sp(12, R) irreducible representation. The orthosymplectic dynamical symmetry is applied for the simultaneous description of the spectra of some neighboring nuclei from rare earth region. The theoretical predictions for different low-lying collective bands with positive and negative parity are compared with the experiment. The obtained results reveal the applicability of the model and its boson-fermion extension.

Study on Properties of Energy Spectra of the Molecular Crystals

Science.gov (United States)

Pang, Xiao-Feng; Chen, Xiang-Rong

The energy-spectra of nonlinear vibration of molecular crystals such as acetanilide have been calculated by using discrete nonlinear Schrödinger equation appropriate to the systems, containing various interactions. The energy levels including higher excited states are basically consistent with experimental values obtained by infrared absorption and Raman scattering in acetanilide. We further give the features of distribution of the energy-spectra for the acetanilide. Using the energy spectra we also explained well experimental results obtained by Careri et al..

Localization of Dirac-like excitations in graphene in the presence of smooth inhomogeneous magnetic fields.

Science.gov (United States)

Roy, Pratim; Ghosh, Tarun Kanti; Bhattacharya, Kaushik

2012-02-08

The present paper discusses magnetic confinement of the Dirac excitations in graphene in the presence of inhomogeneous magnetic fields. In the first case a magnetic field directed along the z axis whose magnitude is proportional to 1/r is chosen. In the next case we choose a more realistic magnetic field which does not blow up at the origin and gradually fades away from the origin. The magnetic fields chosen do not have any finite/infinite discontinuity for finite values of the radial coordinate. The novelty of the two magnetic fields is related to the equations which are used to find the excited spectra of the excitations. It turns out that the bound state solutions of the two-dimensional hydrogen atom problem are related to the spectra of graphene excitations in the presence of the 1/r (inverse-radial) magnetic field. For the other magnetic field profile one can use the knowledge of the bound state spectrum of a two-dimensional cutoff Coulomb potential to dictate the excitation spectra of graphene. The spectrum of the graphene excitations in the presence of the inverse-radial magnetic field can be exactly solved while the other case cannot be. In the later case we give the localized solutions of the zero-energy states in graphene.

Second-order Raman spectra of LiHxD1-x crystals

International Nuclear Information System (INIS)

Plekhanov, V.G.

1994-01-01

High-resolution Raman spectra of LiH x D 1-x cubic crystals were measured for the first time in a wide concentration range (0≤x≤1) at room temperature. The results agree well with data on inelastic neutron scattering and direct calculations of the lattice dynamics for LiH and LiD crystals. This allows one to assign the observed spectral features to the phonon excitations in X-, W-, L-, and K-points of the Brillouin zone. Spectra of LiD exhibit the high-frequency maximum with a pronounced doubled structure. This fact and the dependence of the maximum intensity on the excitation laser frequency provide clear evidence that the maximum is due to excitation of LO(Γ)-phonons in pure or mixed crystals. In the x approx-lt 0.4 range, the LO-phonons manifest themselves in the spectra of both pure LiD and mixed LiH x D 1-x crystals, which demonstrates for the first time their two-mode character in this concentration range. This conclusion is in contradiction with predictions of the coherent potential model. In this paper, causes of this conflict are briefly discussed. 36 refs., 5 figs., 2 tabs

Evaluation of methods used for the direct generation of response spectra

International Nuclear Information System (INIS)

Mayers, R.L.; Muraki, T.; Jones, L.R.; Donikian, R.

1983-01-01

The paper presents an alternate methodology by which seismic in-structure response spectra may be generated directly from either ground or floor excitation spectra. The method is based upon stochastic concepts and utilizes the modal superposition solution. The philosophy of the method is based upon the notion that the evaluation of 'peak' response in uncertain excitation environments is only meaningful in a probabilistic sense. This interpretation of response spectra facilitates the generation of in-structure spectra for any non-exceedance probability (NEP). The method is validated by comparisons with a set of deterministic time-history analyses with three example models: an eleven-story building model, a containment structure stick model, and a floor mounted control panel, subjected to ten input spectrum compatible acceleration time-histories. A significant finding resulting from these examples is that the time-history method portrayed substantial variation in the resulting in-structure spectra, and therefore is unreliable for the generation of spectra. It is shown that the average of the time-history generated spectra can be estimated by the direct generation procedure, and reliable spectra may be generated for 85 NEP levels. The methodology presented herein is shown to be valid for both primary and secondary systems. Also included in the paper, is a review of the stochastic methods proposed by Singh and Der Kiureghian et. al., and the Fourier transform method proposed by Scanlan et al. (orig./HP)

Mechanism for the Excited-State Multiple Proton Transfer Process of Dihydroxyanthraquinone Chromophores.

Science.gov (United States)

Zhou, Qiao; Du, Can; Yang, Li; Zhao, Meiyu; Dai, Yumei; Song, Peng

2017-06-22

The single and dual cooperated proton transfer dynamic process in the excited state of 1,5-dihydroxyanthraquinone (1,5-DHAQ) was theoretically investigated, taking solvent effects (ethanol) into account. The absorption and fluorescence spectra were simulated, and dual fluorescence exhibited, which is consistent with previous experiments. Analysis of the calculated IR and Raman vibration spectra reveals that the intramolecular hydrogen bonding interactions (O 20 -H 21 ···O 24 and O 22 -H 23 ···O 25 ) are strengthened following the excited proton transfer process. Finally, by constructing the potential energy surfaces of the ground state, first excited singlet state, and triplet state, the mechanism of the intramolecular proton transfer of 1,5-DHAQ can be revealed.

Emission spectra of Rb*Hen exciplexes in a cold 4He gas

International Nuclear Information System (INIS)

Hirano, K.; Enomoto, K.; Kumakura, M.; Takahashi, Y.; Yabuzaki, T.

2003-01-01

We report on the systematic observation of emission spectra of Rb * He n exciplexes (n=1,2,...,6), realized by exciting Rb atoms to the 5 2 P states (Rb * ) in a cold 4 He gas. The observed broad spectral components are assigned to Rb * He n (n=1-6) using theoretical spectra obtained from ab initio potential curves. The dynamics of the exciplex formation is discussed, based on the observed temperature dependence of the spectra. The He gas density dependence of the spectra of Rb * He is understood as a change in the population distribution over the vibrational levels. The present results are compared with our previous work with Cs [K. Enomoto et al., Phys. Rev. A 66, 042505 (2002)], and differences are explained in terms of the difference in the fine-structure splitting. Furthermore, we show the emission spectrum observed after the excitation of Rb in liquid He and conclude that it is the fluorescence from the exciplex Rb * He 6

Structures excited by heavy ions in 208Pb target. Interpretation involving giant resonances and multiphonon excitations

International Nuclear Information System (INIS)

Chomaz, P.

1984-01-01

Kinetic energy spectra of heavy fragments from the 36Ar+208Pb reaction at 11 MeV/n and 20 Ne+ 208 Pb at 30 MeV/n have been measured with a time of flight spectrometer. Numerous structures ranging up to 100 MeV excitation energy are observed in the inelastic and few nucleon transfer channels. These structures are shown to be due to an excitation of the 208 Pb target nucleus and not to decay products of excited ejectiles. Positions of low lying structures (E* 208 Pb. The linear response of the target nucleus to the external field created by the projectile is calculated microscopically in the Random Phase Approximation resolved using the Green's function method in coordinate space with a Skyrme interaction. In the independant quasi-boson approximation multiple phonon excitations reproduce the main features of the experimental data and appear as a plausible interpretation of the observed structures. The theoretical calculations and experimental observations suggest that multiphonon excitations play an important role in heavy ion reactions and contribute strongly to the kinetic energy dissipation [fr

Quantitative analysis of satellite structures in XPS spectra of gold and silver

Energy Technology Data Exchange (ETDEWEB)

Pauly, N., E-mail: nipauly@ulb.ac.be [Université libre de Bruxelles, Service de Métrologie Nucléaire (CP 165/84), 50 av. F. D. Roosevelt, B-1050 Brussels (Belgium); Yubero, F. [Instituto de Ciencia de Materiales de Sevilla, Univ. Sevilla – CSIC, av. Américo Vespucio 49, E-41092 Sevilla (Spain); Tougaard, S. [Department of Physics, Chemistry and Pharmacy, University of Southern Denmark, DK-5230 Odense M (Denmark)

2016-10-15

Highlights: • Accurate determination of the energy loss functions for Au and Ag. • Calculation of effective inelastic electron scattering cross sections for Au and Ag. • Convolution of these cross sections with varying model primary spectra F(E). • Variation of F(E) until a good agreement with experimental XPS spectra is reached. • Quantitative determination of Au 4f and Ag 3d characteristics. - Abstract: Identification of specific chemical states and local electronic environments at surfaces by X-ray photoelectron spectroscopy (XPS) is often difficult because it is not straightforward to quantitatively interpret the shape and intensity of shake-up structures that originate from the photoexcitation process. Indeed the shape and intensity of measured XPS structures are strongly affected by both extrinsic excitations due to electron transport out of the surface and intrinsic excitations induced by the sudden creation of the static core hole. These processes must be taken into account to quantitatively extract, from experimental XPS, the primary excitation spectrum of the considered transition which includes all effects that are part of the initial photo-excitation process, i.e. lifetime broadening, spin–orbit coupling, and multiplet splitting. It was previously shown [N. Pauly, S. Tougaard, F. Yubero, Surf. Sci. 620 (2014) 17] that both extrinsic and intrinsic excitations could be included in an effective energy-differential inelastic electron scattering cross section for XPS which is then convoluted with the primary excitation spectrum to model the full XPS spectrum. This method can thus be applied to determine the primary excitation spectrum from any XPS spectrum. We use this approach in the present paper to determine the Au 4f and Ag 3d photoemission spectra from pure metals. We observe that characteristic energy loss features of the XPS spectra are not only due to photoelectron energy losses. We thus prove the existence of a double shake-up process

Giant resonances on excited states

International Nuclear Information System (INIS)

Besold, W.; Reinhard, P.G.; Toepffer, C.

1984-01-01

We derive modified RPA equations for small vibrations about excited states. The temperature dependence of collective excitations is examined. The formalism is applied to the ground state and the first excited state of 90 Zr in order to confirm a hypothesis which states that not only the ground state but every excited state of a nucleus has a giant resonance built upon it. (orig.)

Collective states in 230Th: experimental data

Directory of Open Access Journals (Sweden)

A. I. Levon

2009-12-01

Full Text Available The excitation spectra in the deformed nucleus 230Th were studied by means of the (p, t reaction, using the Q3D spectrograph facility at the Munich Tandem accelerator. The angular distributions of tritons are measured for about 200 excitations seen in the triton spectra up to 3.3 MeV. Firm 0+ assignments are made for 16 excited states by comparison of experimental angular distributions with the calculated ones using the CHUCK3 code and relatively firm - for 4 states. Assignments up to spin 6+ are made for other states. Analysis of the obtained data will be presented in forthcoming paper.

Energy spectra of vibron and cluster models in molecular and nuclear systems

Science.gov (United States)

Jalili Majarshin, A.; Sabri, H.; Jafarizadeh, M. A.

2018-03-01

The relation of the algebraic cluster model, i.e., of the vibron model and its extension, to the collective structure, is discussed. In the first section of the paper, we study the energy spectra of vibron model, for diatomic molecule then we derive the rotation-vibration spectrum of 2α, 3α and 4α configuration in the low-lying spectrum of 8Be, 12C and 16O nuclei. All vibrational and rotational states with ground and excited A, E and F states appear to have been observed, moreover the transitional descriptions of the vibron model and α-cluster model were considered by using an infinite-dimensional algebraic method based on the affine \\widehat{SU(1,1)} Lie algebra. The calculated energy spectra are compared with experimental data. Applications to the rotation-vibration spectrum for the diatomic molecule and many-body nuclear clusters indicate that there are solvable models and they can be approximated very well using the transitional theory.

STM-excited luminescence of porous and spark-processed silicon

International Nuclear Information System (INIS)

Andrienko, I.; Kuznetsov, V.; Yuan, J.; Haneman, D.

1998-01-01

Full text: Scanning tunneling microscopy (STM) permits highly local electronic excitation of light emission (LE) from the surface of silicon. Measuring STM LE, one can study simultaneously both the topography and the luminescence properties of areas down to nm dimensions and thus make conclusions about the luminescence mechanism of the material. We have built an STM spectroscopy system which allows measurement of spectra of visible light emitted from areas as small as 13 x 13 nm 2 (porous silicon) and 10 x 10 nm 2 (spark-processed silicon). Porous silicon shows a broad emission band centered at 630 nm, and spark-processed silicon, one at 690 nm. The STM LE spectra of spark-processed silicon obtained for the first time. We have found that visible light is emitted only from areas containing nanometer-scale structures down to around 2 nm in diameter. STM LE occurs under negative bias voltage applied to the tip, i.e. when electrons are injected into the sample. Other workers used p-type silicon for the sample preparations, but it has been found that STM LE can be induced also from n-type silicon. Furthermore, we have shown that STM LE spectra can be resolved using much lover voltages and tunneling currents: -(7-9) V and 25 - 50 nA vs -(25-50) V and 100 nA. To consider different excitation mechanisms, the STM LE measurements are compared with photoluminescence and electroluminescence spectra of similar samples. We suggest that excitation of individual quantum confinement structures has been observed

Random excitation forces in tube bundles subjected to two-phase cross-flow

International Nuclear Information System (INIS)

Taylor, C.E.; Pettigrew, M.J.; Currie, I.G.

1996-01-01

Data from two experimental programs have been analyzed to determine the characteristics of the random excitation forces associated with two-phase cross-flow in tube bundles. Large-scale air-water flow loops in France and Canada were used to generate the data. Tests were carried out on cantilevered, clamped-pinned, and clamped-clamped tubes in normal-square, parallel-triangular, and normal-triangular configurations. Either strain gages or force transducers were used to measure the vibration response of a centrally located tube as the tue array was subjected to a wide range of void fractions and flow rates. Power spectra were analyzed to determine the effect of parameters such as tube diameter, frequency, flow rate, void fraction, and flow regime on the random excitation forces. Normalized expressions for the excitation force power spectra were found to be flow-regime dependent. In the churn flow regime, flow rate and void fraction had very little effect on the magnitude of the excitation forces. In the bubble-plug flow regime, the excitation forces increased rapidly with flow rate and void fraction

[Fluorescence spectra analysis of the scrophularia soup].

Science.gov (United States)

Yan, Li-hua; Song, Feng; Han, Juan; Su, Jing; Qu, Fei-fei; Song, Yi-zhan; Hu, Bo-lin; Tian, Jian-guo

2008-08-01

The cold-water and boiled-water soaked scrophularia soups have been prepared. The emission and excitation spectra of each scrophularia soup under different conditions have been measured at room temperature. The pH values of the different scrophularia soups have been also detected. There are obvious differences between the cold-water soaked scrophularia soup and the boiled-water soaked scrophularia. For both soups the emission wavelength increases with the wavelength of the excitation, but the peaks of the emission spectra for cold-water and boiled-water soaked scrophularia soup are different, which are 441 and 532 nm, respectively. Excitation spectrum has double peaks in the cold-water soaked scrophularia soup while only one peak with longer wavelength in the boiled-water soaked one. The pH value changes from 5.5 to 4.1. According to the organic admixture fluorescence mechanism we analyzed the reasons of the experimental results. Through heating, the interaction in different fluorescence molecular and the energy transfer process in the same fluorescence molecular become more active, and the conjugate structures and the generation of hydrogen bonds, increase. The fluorescence measurement is of value for the scrophularia pharmacology analysis and provides an analytical method for the quality identification of scrophularia soup.

Excited states v.6

CERN Document Server

Lim, Edward C

1982-01-01

Excited States, Volume 6 is a collection of papers that discusses the excited states of molecules. The first paper discusses the linear polyene electronic structure and potential surfaces, considering both the theoretical and experimental approaches in such electronic states. This paper also reviews the theory of electronic structure and cites some experimental techniques on polyene excitations, polyene spectroscopic phenomenology, and those involving higher states of polyenes and their triplet states. Examples of these experimental studies of excited states involve the high-resolution one-pho

Coulomb-nuclear interference (CNI) results of the collective quadrupolar excitations in odd and even Ru isotopes

Energy Technology Data Exchange (ETDEWEB)

Rodrigues, C.L.; Rodrigues, M.R.D.; Borello-Lewin, T.; Horodynski-Matsushigue, L.B.; Duarte, J. L.M.; Hanninger, G.N. [Sao Paulo Univ., SP (Brazil). Inst. de Fisica; Ukita, G.M. [Universidade de Santo Amaro, SP (Brazil). Faculdade de Psicologia

2004-09-15

The study of the odd {sup 99,101}Ru nuclei complements the investigation of the collectivity of the first quadrupolar excitations in {sup 100,102,104}Ru. Angular distributions for the {sup 99,101}Ru(d, d') reactions at 13 MeV were obtained in the Pelletron Laboratory using nuclear emulsion plates on the focal plane of the Enge spectrograph. A Coulomb- Nuclear Interference analysis employing DWBA-DOMP predictions with global optical potential parameters was applied to the excitation of states which could belong to the multiplet built on the first quadrupolar excitation of the core. In the analysis, three states were identified for each of the isotopes and associated, respectively, with adopted levels in the Nuclear Data Sheets Compilation of J{pi} = 5=2{sup +}, 7=2{sup +} and 9=2{sup +}. Through the comparison of experimental and predicted cross section angular distributions, the values of ({delta}{sup L}{sub N}){sup 2} and of the ratio C = {delta}{sub L}{sup C} /{delta}{sub L}{sup N} were obtained. (author)

Isotope separation using vibrationally excited molecules

International Nuclear Information System (INIS)

Woodroffe, J.A.; Keck, J.C.

1979-01-01

Vibrational excitation of molecules having components of a selected isotope type is used to produce a conversion from vibrational to translational excitation of the molecules by collision with the molecules of a heavy carrier gas. The resulting difference in translaton between the molecules of the selected isotope type and all other molecules of the same compound permits their separate collection. When applied to uranium enrichment, a subsonic cryogenic flow of molecules of uranium hexafluoride in combination with an argon carrier gas is directed through a cooled chamber that is illuminated by laser radiaton tuned to vibrationally excite the uranium hexafluoride molecules of a specific uranium isotope. The excited molecules collide with carrier gas molecules, causing a conversion of the excitation energy into a translation of the excited molecule, which results in a higher thermal energy or diffusivity than that of the other uranium hexafluoride molecules. The flowing molecules including the excited molecules directly enter a set of cryogenically cooled channels. The higher thermal velocity of the excited molecules increases the probability of their striking a collector surface. The molecules which strike this surface immediately condense. After a predetermined thickness of molecules is collected on the surface, the flow of uranium hexafluoride is interrupted and the chamber heated to the point of vaporization of the collected hexafluoride, permitting its removal. (LL)

Photoionization of excited molecular states using multiphoton excitation techniques

International Nuclear Information System (INIS)

Dehmer, P.M.; Pratt, S.T.; Dehmer, J.L.

1984-01-01

Photoelectron spectra are reported for three photon resonant, four photon ionization of H 2 via the B 1 Σ + /sub u/, v = 7 (J = 2,4) and C 1 Pi/sub u/, v = 0-4 (J = 1) levels and of N 2 via the o 3 1 Pi/sub u/, v = 1,2, b 1 Pi/sub u/, v = 3-5, and c 1 Pi/sub u/, v = 0 levels. The results reflect both the spectroscopy and the dynamics of photoionization of excited molecular states and are discussed in terms of the selection rules for photoionization and the relative probabilities of photoionization from Rydberg and valence states. In some cases, in accordance with the Franck-Condon principle, the results demonstrate that resonant multiphoton ionization through Rydberg states may be a powerful technique for the production of electronic, vibrational, and rotational state selected ions. However, in other cases, systematic departures from Franck-Condon factors are observed, which reflect the more subtle dynamics of excited state photoionization

Low threshold lasing of bubble-containing glass microspheres by non-whispering gallery mode excitation over a wide wavelength range

Energy Technology Data Exchange (ETDEWEB)

Kumagai, Tsutaru, E-mail: kumagai.t.af@m.titech.ac.jp; Kishi, Tetsuo; Yano, Tetsuji [Department of Chemistry and Materials Science, Tokyo Institute of Technology, 2-12-1 Ookayama, Meguro-ku, Tokyo 152-8550 (Japan)

2015-03-21

Bubble-containing Nd{sup 3+}-doped tellurite glass microspheres were fabricated by localized laser heating technique to investigate their optical properties for use as microresonators. Fluorescence and excitation spectra measurements were performed by pumping with a tunable CW-Ti:Sapphire laser. The excitation spectra manifested several sharp peaks due to the conventional whispering gallery mode (WGM) when the pumping laser was irradiated to the edge part of the microsphere. However, when the excitation light was irradiated on the bubble position inside the microsphere, “non-WGM excitation” was induced, giving rise to numerous peaks at a broad wavelength range in the excitation spectra. Thus, efficient excitation was achieved over a wide wavelength range. Lasing threshold excited at the bubble position was much lower than that for the excitation at the edges of the microsphere. The lowest value of the laser threshold was 34 μW for a 4 μm sphere containing a 0.5 μm bubble. Efficiency of the excitation at the bubble position with broadband light was calculated to be 5 times higher than that for the edge of the microsphere. The bubble-containing microsphere enables efficient utilization of broadband light excitation from light-emitting diodes and solar light.

Resonant Ni and Fe KLL Auger spectra photoexcited from NiFe alloys

International Nuclear Information System (INIS)

Koever, L.; Cserny, I.; Berenyi, Z.; Egri, S.; Novak, M.

2005-01-01

Complete text of publication follows. KLL Auger spectra of 3d transition metal atoms in solid environment, measured using high energy resolution, give an insight into the details of the local electronic structure surrounding the particular atoms emitting the signal Auger electrons. Fine tuning the energy of the exciting monochromatic photons across the K-absorption edge, features characteristic to resonant phenomena can be identified in the spectra. The shapes of the resonantly photoexcited KLL Auger spectra induced from 3d transition metals and alloys are well interpreted by the single step model of the Auger process, based on the resonant scattering theory. The peak shapes are strongly influenced by the 4p partial density of unoccupied electronic states around the excited atom. High energy resolution studies of KLL Auger spectra of 3d transition metals using laboratory X-ray sources, however, request very demanding experiments and yield spectra of limited statistical quality making the evaluation of the fine details in the spectra difficult. The Tunable High Energy XPS (THE- XPS) instrument at BW2 offers optimum photon x and energy resolution for spectroscopy of deep core Auger transitions. For the present measurements high purity polycrystalline Ni and Fe sheets as well as NiFe alloy samples of different compositions (Ni 80 Fe 20 , Ni 50 Fe 50 , Ni 20 Fe 80 ) were used. The surfaces of the samples were cleaned by in-situ argon ion sputtering. The measurements of the Ni and Fe KL 23 L 23 Auger spectra of the metal and alloy samples were performed with the THE-XPS instrument using high electron energy resolution (0.2 eV). In Fig.1, the measured Fe KL 23 L 23 spectrum, photoexcited at the Fe K absorption edge from Fe metal, is compared with the respective spectrum excited from a Ni 50 Fe 50 alloy. A significant broadening of the 1 D 2 peak and an enhancement of the spectral intensity at the low energy loss part of this peak observed in the alloy sample, while the

Nonlinear optical and electroabsorption spectra of polydiacetylene crystals and films

Science.gov (United States)

Mukhopadhyay, D.; Soos, Z. G.

1996-01-01

Vibronic structure of nonlinear optical (NLO) coefficients is developed within the Condon approximation, displaced harmonic oscillators, and crude adiabatic states. The displacements of backbone modes of conjugated polymers are taken from vibrational data on the ground and 1B excited state. NLO resonances are modeled by three excitations and transition moments taken from Pariser-Parr-Pople (PPP) theory and optimized to polydiacetylene (PDA) spectra in crystals and films, with blue-shifted 1B exciton. The joint analysis of third-harmonic-generation, two-photon absorption, and nondegenerate four-wave-mixing spectra of PDA crystals and films shows weak two-photon absorption to 2A below 1B, leading to overlapping resonances in the THG spectrum, strong two-photon absorption to an nA state some 35% above 1B, and weak Raman resonances in nondegenerate FWM spectra. The full π-π* spectrum contributes to Stark shifts and field-induced transitions, as shown by PPP results for PDA oligomers. The Stark shift dominates high-resolution electroabsorption (EA) spectra of PDA crystals below 10 K. The close correspondence between EA and the first-derivative I'(ω) of the linear absorption above the 1B exciton in PDA crystals provides an experimental separation of vibrational and electronic contributions that limits any even-parity state in this 0.5 eV interval. An oscillator-strength sum rule is applied to the convergence of PDA oligomers with increasing length, N, and the crystal oscillator strengths are obtained without adjustable parameters. The sum rule for the 1B exciton implies large transition moments to higher-energy Ag states, whose locations in recent models are contrasted to PPP results. Joint analysis of NLO and EA spectra clarifies when a few electronic excitations are sufficient, distinguishes between vibrational and electronic contributions, and supports similar π-electron interactions in conjugated molecules and polymers.

Two-dimensional spectra of electron collisions with acrylonitrile and methacrylonitrile reveal nuclear dynamics

Energy Technology Data Exchange (ETDEWEB)

Regeta, K., E-mail: khrystyna.regeta@unifr.ch; Allan, M., E-mail: michael.allan@unifr.ch [Department of Chemistry, University of Fribourg, Chemin du Musée 9, CH-1700 Fribourg (Switzerland)

2015-05-14

Detailed experimental information on the motion of a nuclear packet on a complex (resonant) anion potential surface is obtained by measuring 2-dimensional (2D) electron energy loss spectra. The cross section is plotted as a function of incident electron energy, which determines which resonant anion state is populated, i.e., along which normal coordinate the wave packet is launched, and of the electron energy loss, which reveals into which final states each specific resonant state decays. The 2D spectra are presented for acrylonitrile and methacrylonitrile, at the incident energy range 0.095-1.0 eV, where the incoming electron is temporarily captured in the lowest π{sup ∗} orbital. The 2D spectra reveal selectivity patterns with respect to which vibrations are excited in the attachment and de-excited in the detachment. Further insight is gained by recording 1D spectra measured along horizontal, vertical, and diagonal cuts of the 2D spectrum. The methyl group in methacrylonitrile increases the resonance width 7 times. This converts the sharp resonances of acrylonitrile into boomerang structures but preserves the essence of the selectivity patterns. Selectivity of vibrational excitation by higher-lying shape resonances up to 8 eV is also reported.

Fluorescence lifetime selectivity in excitation-emission matrices for qualitative analysis of a two-component system

International Nuclear Information System (INIS)

Millican, D.W.; McGown, L.B.

1989-01-01

Steady-state fluorescence excitation-emission matrices (EEMs), and phase-resolved EEMs (PREEMs) collected at modulation frequencies of 6, 18, and 30 MHz, were used for qualitative analysis of mixtures of benzo[k]fluoranthene (τ = 8 ns) and benzo[b]fluoranthene (τ = 29 ns) in ethanol. The EEMs of the individual components were extracted from mixture EEMs by means of wavelength component vector-gram (WCV) analysis. Phase resolution was found to be superior to steady-state measurements for extraction of the component spectra, for mixtures in which the intensity contributions from the two components are unequal

Strange diquarks and orbital excitations of hyperons

International Nuclear Information System (INIS)

Kondratyuk, L.A.; Ralchenko, Yu.V.; Vasilets, A.V.

1987-01-01

Using the model of the QCD string with spin-orbital interaction the masses of strange diquarks are determined. The spectra of orbital excitations of the Λ and Σ hyperons are calculated and discussed. Also the decay modes for Λ's and Σ's are considered

Band-head spectra of low-energy single-particle excitations in some well-deformed, odd-mass heavy nuclei within a microscopic approach

Energy Technology Data Exchange (ETDEWEB)

Koh, Meng-Hock [Universiti Teknologi Malaysia, Skudai, Johor (Malaysia); Univ. Bordeaux, CENBG, UMR5797, Gradignan (France); CNRS, IN2P3, CENBG, UMR5797, Gradignan (France); Duc, Dao Duy [Ton Duc Thang University, Division of Nuclear Physics, Ho Chi Minh City (Viet Nam); Ton Duc Thang University, Faculty of Applied Sciences, Ho Chi Minh City (Viet Nam); Nhan Hao, T.V. [Duy Tan University, Center of Research and Development, Danang (Viet Nam); Hue University, Center for Theoretical and Computational Physics, College of Education, Hue City (Viet Nam); Long, Ha Thuy [Hanoi University of Sciences, Vietnam National University, Hanoi (Viet Nam); Quentin, P. [Universiti Teknologi Malaysia, Skudai, Johor (Malaysia); Univ. Bordeaux, CENBG, UMR5797, Gradignan (France); CNRS, IN2P3, CENBG, UMR5797, Gradignan (France); Ton Duc Thang University, Division of Nuclear Physics, Ho Chi Minh City (Viet Nam); Bonneau, L. [Univ. Bordeaux, CENBG, UMR5797, Gradignan (France); CNRS, IN2P3, CENBG, UMR5797, Gradignan (France)

2016-01-15

In four well-deformed heavy odd nuclei, the energies of low-lying rotational band heads have been determined microscopically within a self-consistent Hartree-Fock-plus-BCS approach with blocking. A Skyrme nucleon-nucleon effective interaction has been used together with a seniority force to describe pairing correlations. Only such states which are phenomenologically deemed to be related to single-particle excitations have been considered. The polarization effects, including those associated with the genuine time-reversal symmetry breaking have been fully taken into account within our model assumptions. The calculated spectra are in reasonably good qualitative agreement with available data for the considered odd-neutron nuclei. This is not so much the case for the odd-proton nuclei. A potential explanation for such a difference in behavior is proposed. (orig.)

Taking into account the intrinsic excitations and their coupling to collective modes during the fission process

International Nuclear Information System (INIS)

Bernard, Remi

2012-01-01

Fission is a complex process which highlights many nuclear properties. A major challenge in theoretical nuclear physics nowadays is the development of a consistent approach able to describe on the same footing the whole fission process, i.e. properties of the fissioning system, fission dynamics and fission fragment distributions. As a first step, a microscopic time-dependent and quantum mechanical formalism has been developed based on the Gaussian Overlap Approximation of the Generator Coordinate Method with the adiabatic approximation. Pioneering results obtained for the low-energy fission of 238 U encouraged us to perform new studies of fission along these lines with some additional improvements. For instance, at higher energies, a few MeV above the barrier, the adiabatic approximation doesn't seem valid anymore, and intrinsic excitations have to be taken into account. For that purpose, a new theoretical framework called the Schroedinger Collective Intrinsic Model (SCIM) has been developed, which allows in a microscopic way a simultaneous coupling of single particle and collective degrees of freedom. Such an approach is based on a generalized Generator Coordinate Method (GCM), where the general GCM ansatz of the nuclear wave function is extended by a few excited configurations. Indeed, one considers as generating wave functions not only Hartree Fock Bogolyubov ground-state configurations with different values for the collective generator coordinate but also two quasi particle excited states. Such an approach has the advantage of describing in a completely quantum-mechanical fashion and without phenomenological parameters the coupling of quasi-particle degrees of freedom to the collective motion of the nucleons. In this talk, I will focus on the derivation of the newly developed SCIM formalism. I will first discuss the generalized Hill and Wheeler equation and its transformation into a non local Schroedinger equation by inverting the expansion of the overlap

Comparison of the Raman spectra of ion irradiated soot and collected extraterrestrial carbon

Science.gov (United States)

Brunetto, R.; Pino, T.; Dartois, E.; Cao, A.-T.; d'Hendecourt, L.; Strazzulla, G.; Bréchignac, Ph.

2009-03-01

We use a low pressure flame to produce soot by-products as possible analogues of the carbonaceous dust present in diverse astrophysical environments, such as circumstellar shells, diffuse interstellar medium, planetary disks, as well as in our own Solar System. Several soot samples, displaying an initial chemical diversity from aromatic to aliphatic dominated material, are irradiated with 200-400 keV H +, He +, and Ar ++ ions, with fluences comprised between 10 14 and 10 16 ions/cm 2, to simulate expected radiation induced modification on extraterrestrial carbon. The evolution of the samples is monitored using Raman spectroscopy, before, during, and after irradiation. A detailed analysis of the first- and second-order Raman spectra is performed, using a fitting combination of Lorentzian and/or Gaussian-shaped bands. Upon irradiation, the samples evolve toward an amorphous carbon phase. The results suggest that the observed variations are more related to vacancy formation than ionization processes. A comparison with Raman spectra of extraterrestrial organic matter and other irradiation experiments of astrophysically relevant carbonaceous materials is presented. The results are consistent with previous experiments showing mostly amorphization of various carbonaceous materials. Irradiated soots have Raman spectra similar to those of some meteorites, IDPs, and Comet Wild 2 grains collected by the Stardust mission. Since the early-Sun expected irradiation fluxes sufficient for amorphization are compatible with accretion timescales, our results support the idea that insoluble organic matter (IOM) observed in primitive meteorites has experienced irradiation-induced amorphization prior to the accretion of the parent bodies, emphasizing the important role played by early solar nebula processing.

Collective multipole excitations based on correlated realistic nucleon-nucleon interactions

International Nuclear Information System (INIS)

Paar, N.; Papakonstantinou, P.; Hergert, H.; Roth, R.

2006-01-01

We investigate collective multipole excitations for closed shell nuclei from 16 O to 208 Pb using correlated realistic nucleon-nucleon interactions in the framework of the random phase approximation (RPA). The dominant short-range central and tensor correlations a re treated explicitly within the Unitary Correlation Operator Method (UCOM), which provides a phase-shift equivalent correlated interaction VUCOM adapted to simple uncorrelated Hilbert spaces. The same unitary transformation that defines the correlated interaction is used to derive correlated transition operators. Using VUCOM we solve the Hartree-Fock problem and employ the single-particle states as starting point for the RPA. By construction, the UCOM-RPA is fully self-consistent, i.e. the same correlated nucleon-nucleon interact ion is used in calculations of the HF ground state and in the residual RPA interaction. Consequently, the spurious state associated with the center-of-mass motion is properly removed and the sum-rules are exhausted within ±3%. The UCOM-RPA scheme results in a collective character of giant monopole, dipole, and quadrupole resonances in closed-shell nuclei across the nuclear chart. For the isoscalar giant monopole resonance, the resonance energies are in agreement with experiment hinting at a reasonable compressibility. However, in the 1 - and 2 + channels the resonance energies are overestimated due to missing long-range correlations and three-body contributions. (orig.)

Getting super-excited with modified dispersion relations

Energy Technology Data Exchange (ETDEWEB)

Ashoorioon, Amjad; Casadio, Roberto [INFN—Sezione di Bologna, viale B. Pichat 6/2, I-40127 Bologna (Italy); Geshnizjani, Ghazal; Kim, Hyung J., E-mail: amjad.ashoorioon@bo.infn.it, E-mail: roberto.casadio@bo.infn.it, E-mail: ggeshniz@uwaterloo.ca, E-mail: h268kim@uwaterloo.ca [Department of Applied Mathematics, University of Waterloo Waterloo, Ontario, N2L 3G1 (Canada)

2017-09-01

We demonstrate that in some regions of parameter space, modified dispersion relations can lead to highly populated excited states, which we dub as 'super-excited' states. In order to prepare such super-excited states, we invoke dispersion relations that have negative slope in an interim sub-horizon phase at high momenta. This behaviour of quantum fluctuations can lead to large corrections relative to the Bunch-Davies power spectrum, which mimics highly excited initial conditions. We identify the Bogolyubov coefficients that can yield these power spectra. In the course of this computation, we also point out the shortcomings of the gluing method for evaluating the power spectrum and the Bogolyubov coefficients. As we discuss, there are other regions of parameter space, where the power spectrum does not get modified. Therefore, modified dispersion relations can also lead to so-called 'calm excited states'. We conclude by commenting on the possibility of obtaining these modified dispersion relations within the Effective Field Theory of Inflation.

Excitation of surface and volume plasmons in a metal nanosphere by fast electrons

Energy Technology Data Exchange (ETDEWEB)

Gildenburg, V. B., E-mail: gil@appl.sci-nnov.ru; Kostin, V. A.; Pavlichenko, I. A. [University of Nizhny Novgorod, Nizhny Novgorod 603950 (Russian Federation); Institute of Applied Physics, Russian Academy of Sciences, Nizhny Novgorod 603950 (Russian Federation)

2016-03-15

Collective multipole oscillations (surface and volume plasmons) excited in a metal nanosphere by moving electron and corresponding inelastic scattering spectra are studied based on the hydrodynamic approach. Along with the bulk (dielectric) losses traditionally taken into account, the surface and radiative ones are also considered as the physical mechanisms responsible for the plasmon damping. The second and third mechanisms are found to be essential for the surface plasmons (at small or large cluster radii, respectively) and depend very differently on the multipole mode order. The differential equations are obtained which describe the temporal evolution of every particular mode as that one of a linear oscillator excited by the given external force, and the electron energy loss spectra are calculated. The changes in spectrum shape with the impact parameter and with the electron passage time are analyzed; the first of them is found to be in good enough agreement with the data of scanning transmission electron microscopy experiments. It is shown that, in the general case, a pronounced contribution to the formation of the loss spectrum is given by the both surface and volume plasmons with low and high multipole indices. In particular, at long electron passage time, the integral (averaged over the impact parameter) loss spectrum which is calculated for the free-electron cluster model contains two main peaks: a broad peak from merging of many high-order multipole resonances of the surface plasmons and a narrower peak of nearly the same height from merged volume plasmons excited by the electrons that travel through the central region of the cluster. Comparatively complex dependences of the calculated excitation coefficients and damping constants of various plasmons on the order of the excited multipole result in wide diversity of possible types of the loss spectrum even for the same cluster material and should be taken into account in interpretation of corresponding

The importance of spectroscopy for infrared multiphoton excitation

International Nuclear Information System (INIS)

Fuss, W.; Kompa, K.L.

1980-07-01

It is substantiated by examples that the infrared spectra of molecules in high vibrational states are similar in width to those of the ground states. Therefore in order to explain collisionless infrared multiphoton excitation, the existence of resonance has to be checked, not only for the first three steps, but for all of them. That is, their (low resolution) spectra should be studied. This review summarizes the spectroscopic mechanisms contributing to multiphoton excitation, which have been suggested to date, including several kinds of rotational compensation and of vibrational level splitting, which cooperate to overcome the anharmonic shift. The spectral quasicontinuum, generated by intensity borrowing, must neither be very broad nor dense, and collisionless vibrational relaxation is only important at very high energies. Knowledge of relatively few spectroscopic detailes helps to understand many details and many differences in multiphoton excitatio. (orig.)

Study on the characteristics of sup(163,165,167)Tm excited states

International Nuclear Information System (INIS)

Adam, I.; Alikov, B.A.; Badalov, Kh.N.

1985-01-01

On the basis of analysis of transition intensities, de-excitation nature and systematics of sup(163,1965, 167)Tm nucleus level energy the interpretation of some excited states of studied isotopes is suggested. Results of calculations within the framework of an independent quasiparticle model and quasiparticle-phonon model confirm the suggested interpretation and show that taking account of quasiparticle-phonon interaction improves agreement of theoretical energy values with experimental as compared with the independent quasiparticle model. The calculation of energy of rotational states within the framework of a non adi batic rotational model shows that it is possible to obtain rather good agreement with experiment. It is noted that taking account of correctly the difference in deformations of one-particle states can result in the improvement of agreement of theory and experiment. When calculating rotational spectra for the description of high-lying states it is desirable to consider dependence of collective parameters, for example, inertia momentum, on spin

Autoionization spectra of He excited by fast (MeV) H/sup +/, He/sup +/, and Li/sup n//sup +/ (N = 1,2,3) ions

Energy Technology Data Exchange (ETDEWEB)

Schneider, D.; Arcuni, P.; Bruch, P.; Stoeffler, W.

1983-01-01

Autoionization spectra of He following excitation by 1 to 3 MeV H/sup +/, He/sup +/, and Li/sup n//sup +/ (n = 1,2,3) have been measured as a function of observation angle. The (2p/sup 2/)/sup 1/D and (2s2p)/sup 1/P resonances have been examined and a strong dependence on projectile velocities, charge state and observation angle was found. The measurements were performed in a crossed-beam scattering chamber. The target-gas pressure was in the order of 10/sup -4/ Torr. The secondary electrons have been energy analyzed by a 45/sup 0/ parallel-plate analyzer. Results are presented and discussed. (WHK)

Identification and origin of visible transitions in one dimensional (1D) ZnO nanostructures: Excitation wavelength and morphology dependence study

Energy Technology Data Exchange (ETDEWEB)

Baral, Arpit [Centre for Nanoscience and Nanotechnology, Jamia Millia Islamia, New Delhi 110025 (India); Khanuja, Manika, E-mail: manikakhanuja@gmail.com [Centre for Nanoscience and Nanotechnology, Jamia Millia Islamia, New Delhi 110025 (India); Islam, S.S. [Centre for Nanoscience and Nanotechnology, Jamia Millia Islamia, New Delhi 110025 (India); Sharma, Rishabh; Mehta, B.R. [Indian Institute of Technology Delhi, New Delhi 110016 (India)

2017-03-15

In this present work, one dimensional (1D) ZnO nanostructures were synthesized by mechanical assisted thermal decomposition process. The samples were characterized by transmission electron microscopy (TEM) for morphology, high-resolution transmission electron microscopy (HRTEM) and X-ray diffraction (XRD) for structural characterization. Photoluminescence (PL) and Photoluminescence spectra evolution was studied as a function of (i) excitation wavelength (λ{sub Ex:} 310–370 nm) and (ii) morphology (nanoneedles and nanorods). PL spectra were observed to be highly asymmetric with strong dependence on excitation wavelength (λ{sub Ex}). PL spectra categorized into two types as a function of excitation wavelength (λ{sub Ex}): I. λ{sub Ex}≤345 nm and II. λ{sub Ex}≥350 nm. The PL spectra were deconvoluted into multiple Gaussian components for each excitation wavelength. The position of each component is a signature of its origin and corresponds to specific visible transition. The transition involving origin from conduction band (CB) are absent for excitation wavelength λ{sub Ex}≥350 nm. The tunable photoresponse is achieved in 1D ZnO nanostructures by varying (i) excitation wavelength and (ii) morphology: nanoneedles to nanorods. PL intensity increases as aspect ratio decrease from nanoneedles to nanorods morphology. This is attributed to non-radiative quenching by near surface defects.

Electron spectroscopy studies of argon K-shell excitation and vacancy cascades

International Nuclear Information System (INIS)

Southworth, S.H.; MacDonald, M.A.; LeBrun, T.; Azuma, Y.; Cooper, J.W.

1995-01-01

Electron spectroscopy combined with tunable synchrotron radiation has been used for studies of Ar K-shell excitation and vacancy decay processes. In addition, electrons and fluorescent X-rays have been recorded in coincidence to select subsets of the ejected electron spectra. Examples are presented for Ar 1s photoelectrons and KLL and LMM Auger spectra

Collective 0+, 1+ and 2+ excitations in rotating nuclei

International Nuclear Information System (INIS)

Balbutsev, E.B.; Piperova, J.

1988-01-01

The energies and B(Eγ) factors of the isoscalar and isovector 0 + and 2 + resonances are calculated with Skyrme interaction. A satisfactory agreement with experimental data is obtained. It is shown that in rotating nuclei the 2 + excitations split into five branches and also 5 low-lying excitations appear. Two of these low-lying modes are angular resonances and the theory reproduces their energies and B(M1) factors. The experimentally observed splitting of giant monopole resonance in deformed nuclei is confirmed. 34 refs.; 10 figs.; 1 tab

Simultaneous Determination of Ibuprofen and Caffeine in Urine Samples by Combining MCR-ALS and Excitation-emission Data

Directory of Open Access Journals (Sweden)

Masoumeh Mohammadnejad

2016-06-01

Full Text Available Second order advantage of excitation-emission fluorescence matrix was applied for the simultaneous determination of ibuprofen and caffeine. The proposed method is based on the measurement of the native fluorescence and recording emission spectra of ibuprofen and caffeine in different excitation wavelengths. The mixture of these compounds was resolved by multivariate curve resolution coupled with alternative least squares (MCR-ALS on constructed matrix. The EEM spectra were recorded at excitation wavelengths from 250-275 nm; the emission wavelengths ranged from 275-400 nm. For each particular quantitative determination, an augmented matrix was defined. The resolution of each augmented-data matrix gave an estimation of the excitation and emission spectra of the species included in the model. Ibuprofen and caffeine were determined in concentration range from 0.10-8.00 and 0.50-15.00 mg ml-1, respectively. The minimal sample pretreatment and relatively low running cost, make this method a good alternative to existing methods for determination of the analytes in urine samples.

Electromagnetic fluctuation spectra of collective oscillations in magnetized Maxwellian plasmas for parallel wave vectors

Science.gov (United States)

Vafin, S.; Schlickeiser, R.; Yoon, P. H.

2016-05-01

The general electromagnetic fluctuation theory for magnetized plasmas is used to calculate the steady-state wave number spectra and total electromagnetic field strength of low-frequency collective weakly damped eigenmodes with parallel wavevectors in a Maxwellian electron-proton plasma. These result from the equilibrium of spontaneous emission and collisionless damping, and they represent the minimum electromagnetic fluctuations guaranteed in quiet thermal space plasmas, including the interstellar and interplanetary medium. Depending on the plasma beta, the ratio of |δB |/B0 can be as high as 10-12 .

Starlight excitation of permitted lines in gaseous nebulae

International Nuclear Information System (INIS)

Grandi, S.A.

1975-01-01

The weak heavy element permitted lines observed in the spectra of gaseous nebula have, with only a few exceptions, been thought to be excited only by recombination. The accuracy of this assumption for individual lines in nebula spectra is investigated in detail via model nebula calculations. First, approximations and techniques of calculation are considered for the three possible excitation mechanisms: recombination, resonance fluorescence by the starlight continuum, and resonance fluorescence by other nebular emission lines. Next, the permitted lines of O I as observed in gaseous nebulae are discussed. Thirdly, it is shown that varying combinations of recombination, resonance fluorescence by starlight, and resonance fluorescence by other nebula lines can successfully account for the observed strengths in the Orion Nebula of lines of the following ions: C II, N I, N II, N III, O II, Ne II, Si II, Si III, and S III. A similar analysis is performed for the lines in the spectra of the planetary nebulae NGC7662 and NGC7027, and, with some exceptions, satisfactory agreement between the observed and predicted line strengths is found. Finally, observations of the far red spectra of the Orion Nebula, the planetary nebulae NGC3242, NGC6210, NGC2392, IC3568, IC4997, NGC7027, and MGC7662, and the reflection nebulae IC431 and NGC2068 are reported

Inelastic neutron spectra and cross sections for 238 U

International Nuclear Information System (INIS)

Kornilov, N.V.; Kagalenko, A.V.

1994-01-01

The report discusses the experimental facilities of IPPE, results of spectra and cross sections investigations. The problems of existing data libraries were highlighted. Some of these problems for example, inelastic spectra at high energy may be solved by correct theoretical calculation. Others like level cross sections at E > 2 MeV and the possible structure of excitation function for group levels between 0.5 to 0.85 MeV demand new experimental efforts. 21 refs., 11 figs., 5 tabs

Observation of Electronic Excitation Transfer Through Light Harvesting Complex II Using Two-Dimensional Electronic-Vibrational Spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Lewis, NHC; Gruenke, NL; Oliver, TAA; Ballottari, M; Bassi, R; Fleming, GR

2016-10-05

Light-harvesting complex II (LHCII) serves a central role in light harvesting for oxygenic photosynthesis and is arguably the most important photosynthetic antenna complex. In this article, we present two-dimensional electronic–vibrational (2DEV) spectra of LHCII isolated from spinach, demonstrating the possibility of using this technique to track the transfer of electronic excitation energy between specific pigments within the complex. We assign the spectral bands via comparison with the 2DEV spectra of the isolated chromophores, chlorophyll a and b, and present evidence that excitation energy between the pigments of the complex are observed in these spectra. Lastly, we analyze the essential components of the 2DEV spectra using singular value decomposition, which makes it possible to reveal the relaxation pathways within this complex.

Electronic Spectra of Cs2NaYb(NO2)6: Is There Quantum Cutting?

Science.gov (United States)

Luo, Yuxia; Liu, Zhenyu; Hau, Sam Chun-Kit; Yeung, Yau Yuen; Wong, Ka-Leung; Shiu, Kwok Keung; Chen, Xueyuan; Zhu, Haomiao; Bao, Guochen; Tanner, Peter A

2018-05-03

The crystal structure and electronic spectra of the T h symmetry hexanitritoytterbate(III) anion have been studied in Cs 2 NaY 0.96 Yb 0.04 (NO 2 ) 6 , which crystallizes in the cubic space group Fm3̅. The emission from Yb 3+ can be excited via the NO 2 - antenna. The latter electronic transition is situated at more than twice the energy of the former, but at room temperature, one photon absorbed at 470 nm in the triplet state produces no more than one photon emitted. Some degree of quantum cutting is observed at 298 K under 420 nm excitation into the singlet state and at 25 K using excitation into either state. The quantum efficiency is ∼10% at 25 K. The energy level scheme of Yb 3+ has been deduced from excitation and emission spectra and calculated by crystal field theory. New improved energy level calculations are also reported for the Cs 2 NaLn(NO 2 ) 6 (Ln = Pr, Eu, Tb) series using the f- Spectra package. The neat crystal Cs 2 NaYb(NO 2 ) 6 has also been studied, but results were unsatisfactory due to sample decomposition, and this chemical instability makes it unsuitable for applications.

Polarization-dependent spectra in the photoassociative ionization of cold atoms in a bright sodium beam

International Nuclear Information System (INIS)

Ramirez-Serrano, Jaime; DeGraffenreid, William; Weiner, John

2002-01-01

We report measurements of cold photoassociative ionization (PAI) spectra obtained from collisions within a slow, bright Na atomic beam. A high-brightness atom flux, obtained by optical cooling and focusing of the atom beam, permits a high degree of alignment and orientation of binary collisions with respect to the laboratory atom-beam axis. The results reveal features of PAI spectra not accessible in conventional magneto-optical trap studies. We take advantage of this high degree of alignment to selectively excite autoionizing doubly excited states of specific symmetry

Study of excitation energy dependence of nuclear level density parameter

International Nuclear Information System (INIS)

Mohanto, G.; Nayak, B.K.; Saxena, A.

2016-01-01

In the present study, we have populated CN by fusion reaction and excitation energy of the intermediate nuclei is determined after first chance α-emission to investigate excitation energy dependence of the NLD parameter. Evaporated neutron spectra were measured following alpha evaporation for obtaining NLD parameter for the reaction 11 B + 197 Au, populating CN 208 Po. This CN after evaporating an α-particle populates intermediate nucleus 204 Pb. The 204 Pb has magic number of Z=82. Our aim is to study the excitation energy dependence of NLD parameter for closed shell nuclei

Excitation of multipolar surface plasmon resonance in plasmonic nanoparticles by complex accelerating beams

International Nuclear Information System (INIS)

Yang, Yang; Li, Jiafang; Li, Zhi-Yuan; Chen, Yue-Gang

2015-01-01

In this paper, through a vector-spherical harmonics approach, we investigate the optical spectra of plasmonic Au nanoparticles excited by two special accelerating beams: a non-paraxial Airy beam and a Bessel beam. We systematically analyze the impacts of the beam profile, phase, and helical wave front of the electromagnetic fields on the optical spectrum and the excitation of the surface plasmon resonance (SPR). We find that the high-order phase in the Airy beam would result in strong plasmonic oscillations in the optical spectra, while the cone angle and orbital angular momentum carried by the Bessel beam could be employed to engineer the plasmon modes excited in Au nanoparticles. Furthermore, the optical spectrum excited by a combined Airy–Bessel–Gauss beam is discussed. The study could help to deeply explore new ways to manipulate SPR in metal nanoparticles via the wave front engineering of optical beams for enhancing light–matter interaction and optical sensing performance. (paper)

Excited-state absorption and fluorescence dynamics of Er3+:KY3F10

Science.gov (United States)

Labbé, C.; Doualan, J. L.; Moncorgé, R.; Braud, A.; Camy, P.

2018-05-01

We report here on a complete investigation of the excited-state absorption and fluorescence dynamics of Er3+ doped KY3F10 single crystals versus dopant concentrations and optical excitation conditions. Radiative and effective (including non-radiative relaxations) emission lifetimes and branching ratios are determined from a Judd-Ofelt analysis of the absorption spectra and via specific fluorescence experiments using wavelength selective laser excitations. Excited-state absorption and emission spectra are registered within seven spectral domains, i.e. 560 nm, 650 nm, 710 nm, 810 nm, 970 nm, 1550 nm and 2750 nm. A maximum gain cross-section of 0.93 × 10-21 cm2 is determined at the potential laser wavelength of 2.801 μm for a population ratio of 0.48. Saturation of fluorescence intensities and variations of population ratios versus pumping rates are registered and confronted with a rate equation model to derive the rates of the most important up-conversion and cross-relaxation energy transfers occurring at high dopant concentrations.

Excitation of multipolar surface plasmon resonance in plasmonic nanoparticles by complex accelerating beams

Science.gov (United States)

Yang, Yang; Li, Jiafang; Li, Zhi-Yuan; Chen, Yue-Gang

2015-07-01

In this paper, through a vector-spherical harmonics approach, we investigate the optical spectra of plasmonic Au nanoparticles excited by two special accelerating beams: a non-paraxial Airy beam and a Bessel beam. We systematically analyze the impacts of the beam profile, phase, and helical wave front of the electromagnetic fields on the optical spectrum and the excitation of the surface plasmon resonance (SPR). We find that the high-order phase in the Airy beam would result in strong plasmonic oscillations in the optical spectra, while the cone angle and orbital angular momentum carried by the Bessel beam could be employed to engineer the plasmon modes excited in Au nanoparticles. Furthermore, the optical spectrum excited by a combined Airy-Bessel-Gauss beam is discussed. The study could help to deeply explore new ways to manipulate SPR in metal nanoparticles via the wave front engineering of optical beams for enhancing light-matter interaction and optical sensing performance.

Hadronic energy spectra from nuclear collisions: Effects from collective transverse flow and the phase transition to quark matter

International Nuclear Information System (INIS)

Heinz, U.

1988-11-01

I give an overview of the processes determining the shape of energy spectra of hadrons emitted in relativistic nuclear collisions, and discuss how one can extract from them information on the presence of collective transverse flow and on the transition to quark-gluon matter in such collisions. 6 refs., 3 figs

Collective excitation frequencies and vortices of a Bose-Einstein condensed state with gravitylike interatomic attraction

International Nuclear Information System (INIS)

Ghosh, Tarun Kanti

2002-01-01

We study the collective excitations of a neutral atomic Bose-Einstein condensate with gravitylike 1/r interatomic attraction induced by an electromagnetic wave. Using the time-dependent variational approach, we derive an analytical spectrum for monopole and quadrupole mode frequencies of a gravitylike self-bound Bose condensed state at zero temperature. We also analyze the excitation frequencies of the Thomas-Fermi-gravity (TF-G) and gravity (G) regimes. Our result agrees excellently with that of Giovanazzi et al. [Europhysics Lett., 56, 1 (2001)], which is obtained within the sum-rule approach. We also consider the vortex state. We estimate the superfluid coherence length and the critical angular frequencies to create a vortex around the z axis. We find that the TF-G regime can exhibit the superfluid properties more prominently than the G regime. We find that the monopole mode frequency of the condensate decreases due to the presence of a vortex

Vibrational spectroscopy of the electronically excited state. 4. Nanosecond and picosecond time-resolved resonance Raman spectroscopy of carotenoid excited states

International Nuclear Information System (INIS)

Dallinger, R.F.; Farquharson, S.; Woodruff, W.H.; Rodgers, M.A.J.

1981-01-01

Resonance Raman and electronic absorption spectra are reported for the S 0 and T 1 states of the carotenoids β-carotene, zeaxanthin, echinenone, canthaxanthin, dihydroxylycopene, astaxanthin, decapreno(C 50 )-β-carotene, β-apo-8'-carotenal, and ethyl β-apo-8'-carotenoate. The results reveal qualitatively similar ground-state spectra and similar frequency shifts in all observed resonance Raman modes between S 0 and T 1 , regardless of carotenoid structure. Examinations of the relationship of the putative C--C and C==C frequencies in S 0 and T 1 reveals anomalous shifts to lower frequency in the ''single-bond'' mode upon electronic excitation. These shifts may be due to molecular distortions in the excited state which force changes in molecular motions comprising the observed modes. However, another possibility requiring no distortion is that the interaction (off-diagonal) force constants connecting the C--C and C==C modes change sign upon electronic excitation. This latter phenomenon may provide a unitary explanation for the ''anomalous'' frequency shifts in the C--C and C==C modes, both in the T 1 states of carotenoids and in the S 1 states of simpler polyenes, without postulating large, unpredicted structural changes upon excitation or general errors in existing vibrational or theoretical analyses. Resonance Raman and absorbance studies with 35-ps time resolution suggest that S 1 lifetime (of the 1 B/sub u/ and/or the 1 A/sub g/* states) of β-carotene in benzene is less than 1 ps

Adsorption geometry and core excitation spectra of three phenylpropene isomers on Cu(111)

International Nuclear Information System (INIS)

Kolczewski, C.; Williams, F. J.; Cropley, R. L.; Vaughan, O. P. H.; Urquhart, A. J.; Tikhov, M. S.; Lambert, R. M.; Hermann, K.

2006-01-01

Theoretical C 1s near edge x-ray absorption fine structure (NEXAFS) spectra for the C 9 H 10 isomers trans-methylstyrene, α-methylstyrene, and allylbenzene in gas phase and adsorbed at Cu(111) surfaces have been obtained from density functional theory calculations where adsorbate geometries were determined by corresponding total energy optimizations. The three species show characteristic differences in widths and peak shapes of the lowest C 1s→π* transitions which are explained by different coupling of the π-electron system of the C 6 ring with that of the side chain in the molecules as well as by the existence of nonequivalent carbon centers. The adsorbed molecules bind only weakly with the substrate which makes the use of theoretical NEXAFS spectra of the oriented free molecules meaningful for an interpretation of experimental angle-resolved NEXAFS spectra of the adsorbate systems obtained in this work. However, a detailed quantitative account of relative peak intensities requires theoretical angle-resolved NEXAFS spectra of the complete adsorbate systems which have been evaluated within the surface cluster approach. The comparison with experiment yields almost perfect agreement and confirms the reliability of the calculated equilibrium geometries of the adsorbates. This can help to explain observed differences in the catalytic epoxidation of the three molecules on Cu(111) based on purely geometric considerations

Modeling the collective excitations in a full Heusler Co2 FeAl0.5 Si0.5 (CFAS) spin valve magnetic nanopillar in the electromagnetic field

International Nuclear Information System (INIS)

David, Cherine; Arumugam, Brinda; Rajamani, Amuda; Natarajan, Kanimozhi

2014-01-01

This paper describes the physics of collective excitations that are caused by spin-transfer torques in CFAS magnetic multilayer. When the magnetizations of the pinned and free layers are not collinear with each other, the spin-polarized currents transfer angular momentum to the magnetizations near the interfaces, giving rise to spin-transfer torques. The currents in magnetic multilayer are spin polarised and can carry enough angular momentum. When an electron spin carried by the current interacts with a magnetic layer, the exchange interaction leads to torque between the spin and the magnetization vector of the free layer. This is Spin Transfer Torque (STT) and it excites the magnetization when it is large enough. The Spin Transfer Torque induced collective excitations for the CFAS spin valve pillar have been extensively studied in this paper. - Highlights: • We have modeled LLGS equation for CFAS multilayer array. • The dynamics of collective excitation induced by STT is investigated. • The interactions exhibit solitonic behaviour at both limiting modes of polarization. • The spin components of the solitons are graphically represented

Structure and conformational dynamics of molecules in the excited electronic states: theory and experiment

International Nuclear Information System (INIS)

Godunov, I.A.; Bataev, V.A.; Maslov, D.V.; Yakovlev, N.N.

2017-01-01

The structure of conformational non-rigid molecules in the excited electronic states are investigated by joint theoretical and experimental methods. The theoretical part of work consist of two stages. In first stage the ab initio quantum-chemical calculations are carried out using high level methods. In second stage the vibrational problems of the various dimensions are solved by variational method for vibrations of large amplitude. In experimental part of work the vibronic spectra are investigated: gas-phase absorption and also, fluorescence excitation spectra of jet-cooled molecules. Some examples are considered.

Soft X-ray excited colour-centre luminescence and XANES studies of calcium oxide

International Nuclear Information System (INIS)

Ko, J.Y.P.; Heigl, F.; Yiu, Y.M.; Zhou, X.-T.; Regier, T.; Blyth, R.I.R.; Sham, T.-K.

2007-01-01

In this study, we show that colour centres can be produced by irradiating calcium oxide with soft X-rays from a synchrotron radiation source. Using the X-ray excited optical Iuminescence (XEOL) technique, two colour centres, F-centre, and F + -centre can be identified. These colour centres emit photons at characteristic wavelengths. In addition, by performing time-resolved XEOL (TRXEOL), we are able to reveal timing and decay characteristics of the colour centres. We also present X-ray absorption near-edge structure (XANES) spectra collected across oxygen K-edge, calcium L 3,2 -edge, and calcium K-edge. Experimental results are compared with density functional theory (DFT) calculations. (author)

Power density and temperature dependent multi-excited states in InAs/GaAs quantum dots

International Nuclear Information System (INIS)

Bouzaïene, L.; Sfaxi, L.; Baira, M.; Maaref, H.; Bru-Chevallier, C.

2011-01-01

Self-assembled InAs/GaAs (001) quantum dots (QDs) were grown by molecular beam epitaxy using ultra low-growth rate. A typical dot diameter of around 28 ± 2 nm and a typical height of 5 ± 1 nm are observed based on atomic force microscopy image. The photoluminescence (PL) spectra, their power and temperature dependences have been studied for ground (GS) and three excited states (1–3ES) in InAs QDs. By changing the excitation power density, we can significantly influence the distribution of excitons within the QD ensemble. The PL peak energy positions of GS and ES emissions bands depend on an excitation light power. With increasing excitation power, the GS emission energy was red-shifted, while the 1–3ES emission energies were blue-shifted. It is found that the full width at half maximum of the PL spectra has unusual relationship with increasing temperature from 9 to 300 K. The temperature dependence of QD PL spectra shown the existence of two stages of PL thermal quenching and two distinct activation energies corresponding to the temperature ranges I (9–100 K) and II (100–300 K).

Statistical theory for calculating energy spectra of β-delayed neutrons

International Nuclear Information System (INIS)

Kawano, Toshihiko; Moeller, Peter; Wilson, William B.

2008-01-01

Theoretical β-delayed neutron spectra are calculated based on the Quasi-particle Random Phase Approximation (QRPA) and the Hauser-Feshbach statistical model. Neutron emissions from an excited daughter nucleus after β-decay to the granddaughter residual are more accurately calculated than previous evaluations, including all the microscopic nuclear structure information, such as a Gamow-Teller strength distribution and discrete states in the granddaughter. The calculated delayed-neutron spectra reasonably agree with those evaluations in the ENDF decay library, which are based on experimental data. The model was adopted to generate the delayed-neutron spectra for all 271 precursors. (authors)

Excited collective states of nuclei within Bohr Hamiltonian with Tietz-Hua potential

Energy Technology Data Exchange (ETDEWEB)

Chabab, M.; El Batoul, A.; Lahbas, A.; Oulne, M. [Cadi Ayyad University, High Energy Physics and Astrophysics Laboratory, Faculty of Sciences Semlalia, Marrakesh (Morocco); Hamzavi, M. [University of Zanjan, Department of Physics, Zanjan (Iran, Islamic Republic of)

2017-07-15

In this paper, we present new analytical solutions of the Bohr Hamiltonian problem that we derived with the Tietz-Hua potential, here used for describing the β-part of the nuclear collective potential plus that of the harmonic oscillator for the γ-part. Also, we proceed to a systematic comparison of the numerical results obtained with this kind of β-potential with others which are widely used in such a framework as well as with the experiment. The calculations are carried out for energy spectra and electromagnetic transition probabilities for γ-unstable and axially symmetric deformed nuclei. In the same frame, we show the effect of the shape flatness of the β-potential beyond its minimum on transition rates calculations. (orig.)

Hydrogen bonding interaction of small acetaldehyde clusters studied with core-electron excitation spectroscopy in the oxygen K-edge region

Science.gov (United States)

Tabayashi, K.; Chohda, M.; Yamanaka, T.; Tsutsumi, Y.; Takahashi, O.; Yoshida, H.; Taniguchi, M.

2010-06-01

In order to examine inner-shell electron excitation spectra of molecular clusters with strong multipole interactions, excitation spectra and time-of-flight (TOF) fragment-mass spectra of small acetaldehyde (AA) clusters have been studied under the beam conditions. The TOF spectra at the oxygen K-edge region showed an intense growth of the protonated clusters, MnH+ (M=CH3CHO) in the cluster beams. "cluster-specific" excitation spectra could be generated by monitoring partial-ion-yields of the protonated clusters. The most intense band of O1s→π*CO was found to shift to a higher energy by 0.15 eV relative to the monomer band upon clusterization. X-ray absorption spectra (XAS) were also calculated for the representative dimer configurations using a computer modelling program based on the density functional theory. The XAS prediction for the most stable (non-planar) configuration was found to give a close comparison with the cluster-band shift observed. The band shift was interpreted as being due to the HOMO-LUMO interaction within the complex where a contribution of vibrationally blue-shifting hydrogen bonding could be identified.

Band-to-band and inner shell excitation VIS-UV photoluminescence of quaternary InAlGaN alloys

International Nuclear Information System (INIS)

Fukui, K.; Naoe, S.; Okada, K.; Hamada, S.; Hirayama, H.

2006-01-01

Visible and ultraviolet photoluminescence and photoluminescence excitation spectra of quaternary InAlGaN alloys were measured. The excitation photon energy covers from band edge to 180 eV, near both nitrogen K (∝400 eV) and aluminium K (∝1.5 keV) inner shell energy region. From photoluminescence excitation spectra photoluminescence intensity per incident photon number varies in proportion to incident photon energy. This result implies that many conduction band electron - valence band hole pairs which are responsible for photoluminescence are produced by high energy excitation. Time resolved decay curves were also measured in the same energy region. No effect of high energy excitation on time resolved decay measurements suggests a role of indium on the photoluminescence mechanism in InAlGaN system. (copyright 2006 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Photoionization of excited molecular states using multiphoton excitation techniques

International Nuclear Information System (INIS)

Dehmer, P.M.; Pratt, S.T.; Dehmer, J.L.

1984-01-01

Photoelectron spectra are reported for three photon resonant, four photon ionization of H 2 via the B 1 Σ/sub u/ + , v = 7 (J = 2,4) and C 1 π/sub u'/, v = 0-4 (J = 1) levels and of N 2 via the o 3 1 π/sub u'/, v = 1,2, b 1 π/sub u'/, v = 3-5, and c 1 π/sub u'/, v = 0 levels. The results reflect both the spectroscopy and the dynamics of photoionization of excited molecular states and are discussed in terms of the selection rules for photoionization and the relative probabilities of photoionization from Rydberg and valence states. In some cases, in accordance with the Franck-Condon principle, the results demonstrate that resonant multiphoton ionization through Rydberg states may be a powerful technique for the production of electronic, vibrational, and rotational state selected ions. However, in other cases, systematic departures from Franck-Condon factors are observed, which reflect the more subtle dynamics of excited state photoionization. 23 references, 6 figures, 2 tables

Electron impact spectra of methane, ethane, and neopentane

International Nuclear Information System (INIS)

Johnson, K.E.; Kim, K.; Johnston, D.B.; Lipsky, S.

1979-01-01

Electron impact spectra of methane, ethane, and neopentane have been obtained at scattering angles of 0 0 and 90 0 and at impact energies from approx. =30 to 250 eV. The data are consistent with the lowest excitation in all of these systems to involve promotion of an electron to a 3s Rydberg-like orbital. Differences between 0 0 and 90 0 onsets are attributed to large-angle intensity enhancements of transitions to the 3s Rydberg triplets. At 90 0 all of the spectra exhibit very similar intensity redistributions with strong enhancement of transitions in the 12 and 15 eV region as compared to lower-lying transitions. Assignments of the spectra and possible origins of the angular dependence are discussed

Spin photocurrent spectra induced by Rashba- and Dresselhaus-type circular photogalvanic effect at inter-band excitation in InGaAs/GaAs/AlGaAs step quantum wells.

Science.gov (United States)

Yu, Jinling; Cheng, Shuying; Lai, Yunfeng; Zheng, Qiao; Chen, Yonghai

2014-03-19

: Spin photocurrent spectra induced by Rashba- and Dresselhaus-type circular photogalvanic effect (CPGE) at inter-band excitation have been experimentally investigated in InGaAs/GaAs/AlGaAs step quantum wells (QWs) at room temperature. The Rashba- and Dresselhaus-induced CPGE spectra are quite similar with each other during the spectral region corresponding to the transition of the excitonic state 1H1E (the first valence subband of heavy hole to the first conduction subband of electrons). The ratio of Rashba- and Dresselhaus-induced CPGE current for the transition 1H1E is estimated to be 8.8±0.1, much larger than that obtained in symmetric QWs (4.95). Compared to symmetric QWs, the reduced well width enhances the Dresselhaus-type spin splitting, but the Rashba-type spin splitting increases more rapidly in the step QWs. Since the degree of the segregation effect of indium atoms and the intensity of build-in field in the step QWs are comparable to those in symmetric QWs, as proved by reflectance difference and photoreflectance spectra, respectively, the larger Rashba-type spin splitting is mainly induced by the additional interface introduced by step structures.

Coupled spin and charge collective excitations in a spin polarized electron gas

International Nuclear Information System (INIS)

Marinescu, D.C.; Quinn, J.J.; Yi, K.S.

1997-01-01

The charge and longitudinal spin responses induced in a spin polarized quantum well by a weak electromagnetic field are investigated within the framework of the linear response theory. The authors evaluate the excitation frequencies for the intra- and inter-subband transitions of the collective charge and longitudinal spin density oscillations including many-body corrections beyond the random phase approximation through the spin dependent local field factors, G σ ± (q,ω). An equation-of-motion method was used to obtain these corrections in the limit of long wavelengths, and the results are given in terms of the equilibrium pair correlation function. The finite degree of spin polarization is shown to introduce coupling between the charge and spin density modes, in contrast with the result for an unpolarized system

Kα X-ray satellite spectra of Ti, V, Cr and Mn induced by photons

Indian Academy of Sciences (India)

K X-ray emission spectra of Ti, V, Cr and Mn generated by photon excitation have been studied with a crystal spectrometer. The measured energy shifts of K satellite relative to the diagram line are compared with values obtained by electron excitation and with different theoretical estimates. The present experimental ...

Cu 4s → 4p atomic like excitations in the Ne matrix.

Science.gov (United States)

Hatano, Yasuyo; Tatewaki, Hiroshi; Yamamoto, Shigeyoshi

2013-06-07

The lowest three or four excited states (the triplet or quartet states) of the Cu atom in a neon (Ne) matrix have been studied experimentally, and have been presumed to have the electronic configuration of Cu 4p(1). The origins of the triplet and the quartet are not yet fully clear, although many models have been proposed. It has been argued, for example, that the existence of different trapping sites would give rise to two partly overlapping triplets, leading to spectra having three or four lines or more. Below, the electronic structures of the ground state and lowest excited states of the Cu atom in the neon matrix are clarified by means of ab initio molecular orbital calculations, using the cluster model. It was found that a rather large vacancy (hollow) with residual Ne atoms is vital for explaining the observed spectra having three or more lines; the Cu atom occupies the center of the substitutional site of a face-centered cubic (fcc)-like cluster comprising 66 Ne atoms, in which the first shell composed of 12 Ne atoms is empty. The presence of the residual Ne atoms in the first shell gives rise to more than three excited states, explaining the experimental spectra. Electron-electron interaction (including the crystal field) and spin-orbit interaction are both important in explaining the experimental spectra.

Excitation mechanisms of Er optical centers in GaN epilayers

International Nuclear Information System (INIS)

George, D. K.; Hawkins, M. D.; McLaren, M.; Vinh, N. Q.; Jiang, H. X.; Lin, J. Y.; Zavada, J. M.

2015-01-01

We report direct evidence of two mechanisms responsible for the excitation of optically active Er 3+ ions in GaN epilayers grown by metal-organic chemical vapor deposition. These mechanisms, resonant excitation via the higher-lying inner 4f shell transitions and band-to-band excitation of the semiconductor host, lead to narrow emission lines from isolated and the defect-related Er optical centers. However, these centers have different photoluminescence spectra, local defect environments, decay dynamics, and excitation cross sections. The photoluminescence at 1.54 μm from the isolated Er optical center which can be excited by either mechanism has the same decay dynamics, but possesses a much higher excitation cross-section under band-to-band excitation. In contrast, the photoluminescence at 1.54 μm from the defect-related Er optical center can only be observed through band-to-band excitation but has the largest excitation cross-section. These results explain the difficulty in achieving gain in Er doped GaN and indicate approaches for realization of optical amplification, and possibly lasing, at room temperature

Detection of collective motions in dielectric spectra and the meaning of the generalized Vogel-Fulcher-Tamman equation

International Nuclear Information System (INIS)

Nigmatullin, Raoul R.

2009-01-01

Based on the reduction property of dielectric spectra associated with the power-law function [∼(jωτ) ±ν ] that appears in the frequency domain, one can develop an effective procedure for detection of different reduced motions (described by the corresponding power-law exponents) in temperature domain. If the power-law exponent ν is related to characteristic relaxation time τ by the relationship ν=ν 0 ln(τ/τ s )/ln(τ/τ 0 ) (here τ s , τ 0 are the characteristic times characterizing a movement over fractal cluster that is defined in Ref. [Ya.E. Ryabov, Yu. Feldman, J. Chem. Phys. 116 (2002) 8610]) and the simple temperature dependence of τ(T)=τ A exp(E/T) obeys the traditional Arrhenius relationship, then one can prove that any extreme point figuring in the complex permittivity ε(jω) spectra (characterized by the values [ω m , y(ω m )]) obeys the generalized Vogel-Fulcher-Tamman (VFT) equation. This important statement confirms the existence of the 'universal' response (UR) (discovered and classified by Jonscher in frequency domain) and opens new possibilities in the detection of the 'hidden' collective motions in temperature region for self-similar (heterogeneous) systems. It gives also the extended interpretation of the VFT equation and allows one to differentiate collective motions passing through an extreme point. This differentiation, in turn, allows one to select the proper fitting function containing one or two (at least) relaxation times for the fitting of the complex permittivity function ε(jω) in the limited frequency domain. This conclusion can allow for the classification of dielectric spectroscopy as the spectroscopy of the reduced (collective) motions, which are described by different power-law exponents on the mesoscale region. The verification of this approach on available DS data (poly(ethylene glycol)-based-single-ion conductors) completely confirms the basic statements of this theory and opens new possibilities in general

High-resolution K-shell spectra from laser excited molybdenum plasmas

Directory of Open Access Journals (Sweden)

Szabo C.I.

2013-11-01

Full Text Available X-ray spectra from Molybdenum plasmas were recorded by a Cauchois-type cylindrically bent Transmission Crystal Spectrometer (TCS. The absolutely calibrated spectrometer provides an unprecedented resolution of inner shell transitions (K x-ray radiation. This tool allows us to resolve individual lines from different charge states existing inside the laser-produced plasma. The inner shell transitions from highly charged Molybdenum shown in this report have never been resolved before in such detail in a laser-produced plasma.

The influence of visible light and inorganic pigments on fluorescence excitation emission spectra of egg-, casein- and collagen-based painting media

Science.gov (United States)

Nevin, A.; Anglos, D.; Cather, S.; Burnstock, A.

2008-07-01

Spectrofluorimetric analysis of proteinaceous binding media is particularly promising because proteins employed in paintings are often fluorescent and media from different sources have significantly different fluorescence spectral profiles. Protein-based binding media derived from eggs, milk and animal tissue have been used for painting and for conservation, but their analysis using non-destructive techniques is complicated by interferences with pigments, their degradation and their low concentration. Changes in the fluorescence excitation emission spectra of films of binding media following artificial ageing to an equivalent of 50 and 100 years of museum lighting include the reduction of bands ascribed to tyrosine, tryptophan and Maillard reaction products and an increase in fluorescent photodegradation. Fluorescence of naturally aged paint is dependent on the nature of the pigment present and, with egg-based media, in comparison with un-pigmented films, emissions ascribed to amino acids are more pronounced.

Charge-transfer and Mott-Hubbard Excitations in FeBo3: Fe K-edge resonant Inelastic x-ray scattering study

International Nuclear Information System (INIS)

Kim, J.; Shvydko, Y.

2011-01-01

Momentum-resolved resonant inelastic x-ray scattering (RIXS) spectroscopy has been carried out successfully at the Fe K-edge for the first time. The RIXS spectra of a FeBO 3 single crystal reveal a wealth of information on ∼ 1-10 eV electronic excitations. The IXS signal resonates when the incident photon energy approaches the pre-edge (1s - -3d) and the main-edge (1s - -4p) of the Fe K-edge absorption spectrum. The RIXS spectra measured at the pre-edge and the main-edge show quantitatively different dependences on the incident photon energy, momentum transfer, photon polarization, and temperature. We present a multielectron analysis of the Mott-Hubbard (MH) and charge transfer (CT) excitations, and calculate their energies. Electronic excitations observed in the pre-edge and main-edge RIXS spectra are interpreted as MH and CT excitations, respectively. We propose the electronic structure around the chemical potential in FeBO 3 based on the experimental data.

Attosecond Two-Photon Interferometry for Doubly Excited States of Helium

International Nuclear Information System (INIS)

Feist, J.; Nagele, S.; Burgdoerfer, J.; Ticknor, C.; Collins, L. A.; Schneider, B. I.

2011-01-01

We show that the correlation dynamics in coherently excited doubly excited resonances of helium can be followed in real time by two-photon interferometry. This approach promises to map the evolution of the two-electron wave packet onto experimentally easily accessible noncoincident single-electron spectra. We analyze the interferometric signal in terms of a semianalytical model which is validated by a numerical solution of the time-dependent two-electron Schroedinger equation in its full dimensionality.

The effect of decaying atomic states on integral and time differential Moessbauer spectra

International Nuclear Information System (INIS)

Kankeleit, E.

1975-01-01

Moessbauer spectra for time dependent monopole interaction have been calculated for the case that the nuclear transition feeding the Moessbauer state excites an electric state of the atom. This is assumed to decay in a time comparable with the lifetime of the Moessbauer state. Spectra have been calculated for both time differential and integral experiments. (orig.) [de

Influence of a photoexcited electron-hole plasma on the Raman scattering spectra of YBa2Cu3Ox single crystals

International Nuclear Information System (INIS)

Goncharov, A.F.; Denisov, V.N.; Mavrin, B.N.; Podobedov, V.B.

1988-01-01

The Raman spectra of tetragonal YBa 2 Cu 3 O x crystals in the region of ∼500 cm -1 were determined using different power densities I 0 of the exciting radiation of wavelengths 4,880, 5,145, 5,321, and 6,471 angstrom at temperatures 80-300 K. An increase in I 0 revealed changes in the spectra due to interference of the electron continuum with a 470 cm -1 phonon and also due to activation of 560-590 cm -1 dipole vibrations because of interaction of photocarriers with the crystal lattice. An analysis of the spectra yielded the electron-phonon interaction constant. The changes in the spectra were of resonant nature, but they were absent in the case of the excitation wavelengths 5,321 and 6,471 angstrom. A triple multichannel Raman spectrometer, developed by the authors, made it possible to record simultaneously a spectral interval of 500 cm -1 in the range ≥ 25 cm -1 on excitation with cw laser radiation

Proton and electron impact on molecular and atomic oxygen: I. High resolution fluorescence spectra in the visible and VUV spectral range and emission cross-sections for dissociative ionisation and excitation of O2

International Nuclear Information System (INIS)

Wilhelmi, O.; Schartner, K.H.

2000-01-01

For pt.II see ibid., vol.11, p.45-58, 2000. Molecular oxygen O 2 was dissociated in collisions with protons and electrons in the intermediate velocity range (p + -energies: 17-800 keV, e - -energies: 0.2-2 keV). Fluorescence from excited atomic and singly ionised fragments and from singly ionised molecules was detected in the VUV and in the visible and near UV spectral range. Highly resolved spectra are presented for the VUV (46-131 nm) and the near UV/visible (340-605 nm) spectral range. Absolute emission cross-sections have been determined for dissociative ionisation and excitation leading to fluorescence in the VUV. Results are compared with published data. (orig.)

Photophysics of trioxatriangulenium ion. Electrophilic reactivity in the ground state and excited singlet state

DEFF Research Database (Denmark)

Reynisson, J.; Wilbrandt, R.; Brinck, V.

2002-01-01

. The physical and chemical properties of the excited singlet state of the trioxatriangulenium (TOTA(+)) carbenium ion are investigated by experimental and Computational means. The degeneracy of the lowest excited states is counteracted by Jahn-Teller-type distortion, which leads to vibronic broadening...... of the long wavelength absorption band. A strong fluorescence is observed at 520 nm (tau(n) = 14.6 ns, phi(n) = 0.12 in deaerated acetonitrile). The fluorescence is quenched by 10 aromatic electron donors predominantly via a dynamic charge transfer mechanism, but ground state complexation is shown...... triphenylenes is studied separately. Phosphorescence spectra, triplet lifetimes, and triplet-triplet absorption spectra are provided. In the discussion, TOTA(+) is compared to the unsubstituted xanthenium ion and its 9-phenyl derivative with respect to the excited state properties....

A Neutron Scattering Study of Collective Excitations in Superfluid Helium

DEFF Research Database (Denmark)

Graf, E. H.; Minkiewicz, V. J.; Bjerrum Møller, Hans

1974-01-01

Extensive inelastic-neutron-scattering experiments have been performed on superfluid helium over a wide range of energy and momentum transfers. A high-resolution study has been made of the pressure dependence of the single-excitation scattering at the first maximum of the dispersion curve over...... of the multiexcitation scattering was also studied. It is shown that the multiphonon spectrum of a simple Debye solid with the phonon dispersion and single-excitation cross section of superfluid helium qualitatively reproduces these data....

Exciton scattering approach for optical spectra calculations in branched conjugated macromolecules

International Nuclear Information System (INIS)

Li, Hao; Wu, Chao; Malinin, Sergey V.; Tretiak, Sergei; Chernyak, Vladimir Y.

2016-01-01

The exciton scattering (ES) technique is a multiscale approach based on the concept of a particle in a box and developed for efficient calculations of excited-state electronic structure and optical spectra in low-dimensional conjugated macromolecules. Within the ES method, electronic excitations in molecular structure are attributed to standing waves representing quantum quasi-particles (excitons), which reside on the graph whose edges and nodes stand for the molecular linear segments and vertices, respectively. Exciton propagation on the linear segments is characterized by the exciton dispersion, whereas exciton scattering at the branching centers is determined by the energy-dependent scattering matrices. Using these ES energetic parameters, the excitation energies are then found by solving a set of generalized “particle in a box” problems on the graph that represents the molecule. Similarly, unique energy-dependent ES dipolar parameters permit calculations of the corresponding oscillator strengths, thus, completing optical spectra modeling. Both the energetic and dipolar parameters can be extracted from quantum-chemical computations in small molecular fragments and tabulated in the ES library for further applications. Subsequently, spectroscopic modeling for any macrostructure within a considered molecular family could be performed with negligible numerical effort. We demonstrate the ES method application to molecular families of branched conjugated phenylacetylenes and ladder poly-para-phenylenes, as well as structures with electron donor and acceptor chemical substituents. Time-dependent density functional theory (TD-DFT) is used as a reference model for electronic structure. The ES calculations accurately reproduce the optical spectra compared to the reference quantum chemistry results, and make possible to predict spectra of complex macromolecules, where conventional electronic structure calculations are unfeasible.

Exciton scattering approach for optical spectra calculations in branched conjugated macromolecules

Science.gov (United States)

Li, Hao; Wu, Chao; Malinin, Sergey V.; Tretiak, Sergei; Chernyak, Vladimir Y.

2016-12-01

The exciton scattering (ES) technique is a multiscale approach based on the concept of a particle in a box and developed for efficient calculations of excited-state electronic structure and optical spectra in low-dimensional conjugated macromolecules. Within the ES method, electronic excitations in molecular structure are attributed to standing waves representing quantum quasi-particles (excitons), which reside on the graph whose edges and nodes stand for the molecular linear segments and vertices, respectively. Exciton propagation on the linear segments is characterized by the exciton dispersion, whereas exciton scattering at the branching centers is determined by the energy-dependent scattering matrices. Using these ES energetic parameters, the excitation energies are then found by solving a set of generalized "particle in a box" problems on the graph that represents the molecule. Similarly, unique energy-dependent ES dipolar parameters permit calculations of the corresponding oscillator strengths, thus, completing optical spectra modeling. Both the energetic and dipolar parameters can be extracted from quantum-chemical computations in small molecular fragments and tabulated in the ES library for further applications. Subsequently, spectroscopic modeling for any macrostructure within a considered molecular family could be performed with negligible numerical effort. We demonstrate the ES method application to molecular families of branched conjugated phenylacetylenes and ladder poly-para-phenylenes, as well as structures with electron donor and acceptor chemical substituents. Time-dependent density functional theory (TD-DFT) is used as a reference model for electronic structure. The ES calculations accurately reproduce the optical spectra compared to the reference quantum chemistry results, and make possible to predict spectra of complex macromolecules, where conventional electronic structure calculations are unfeasible.

Exciton scattering approach for optical spectra calculations in branched conjugated macromolecules

Energy Technology Data Exchange (ETDEWEB)

Li, Hao [Department of Chemistry, University of Houston, Houston, TX 77204 (United States); Wu, Chao [Electronic Structure Lab, Center of Microscopic Theory and Simulation, Frontier Institute of Science and Technology, Xian Jiaotong University, Xian 710054 (China); Malinin, Sergey V. [Department of Chemistry, Wayne State University, 5101 Cass Avenue, Detroit, MI 48202 (United States); Tretiak, Sergei, E-mail: serg@lanl.gov [Theoretical Division and Center for Nonlinear Studies, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Center for Integrated Nanotechnologies, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Chernyak, Vladimir Y., E-mail: chernyak@chem.wayne.edu [Department of Chemistry, Wayne State University, 5101 Cass Avenue, Detroit, MI 48202 (United States)

2016-12-20

The exciton scattering (ES) technique is a multiscale approach based on the concept of a particle in a box and developed for efficient calculations of excited-state electronic structure and optical spectra in low-dimensional conjugated macromolecules. Within the ES method, electronic excitations in molecular structure are attributed to standing waves representing quantum quasi-particles (excitons), which reside on the graph whose edges and nodes stand for the molecular linear segments and vertices, respectively. Exciton propagation on the linear segments is characterized by the exciton dispersion, whereas exciton scattering at the branching centers is determined by the energy-dependent scattering matrices. Using these ES energetic parameters, the excitation energies are then found by solving a set of generalized “particle in a box” problems on the graph that represents the molecule. Similarly, unique energy-dependent ES dipolar parameters permit calculations of the corresponding oscillator strengths, thus, completing optical spectra modeling. Both the energetic and dipolar parameters can be extracted from quantum-chemical computations in small molecular fragments and tabulated in the ES library for further applications. Subsequently, spectroscopic modeling for any macrostructure within a considered molecular family could be performed with negligible numerical effort. We demonstrate the ES method application to molecular families of branched conjugated phenylacetylenes and ladder poly-para-phenylenes, as well as structures with electron donor and acceptor chemical substituents. Time-dependent density functional theory (TD-DFT) is used as a reference model for electronic structure. The ES calculations accurately reproduce the optical spectra compared to the reference quantum chemistry results, and make possible to predict spectra of complex macromolecules, where conventional electronic structure calculations are unfeasible.

Experimental investigation of coupling between widely spaced modes of a beam using higher-order spectra

International Nuclear Information System (INIS)

Khan, K.A.

2001-01-01

Experimental studies related to a thin isotropic steel beam are presented. The beam was harmonically excited along its axis creating a situation of parametric excitation. A possible two-to-one internal resonance was considered between the third and fourth modes of the beam with an external resonance of its fourth mode. The coupling phenomenon responsible for transfer of energy from high frequency modes to a widely spaced low frequency mode was studied by using conventional tools and higher-order spectra (third-order spectrum (bispectrum) and fourth-order spectrum (trispectrum)). Pointwise dimensions of the attractors were examined to ascertain their chaotic character. The potential of higher-order spectra in detecting the quadratic and cubic phase couplings among the participating modes during bifurcations, periodically modulated motions, and chaotically modulated motions was also examined. The experimental results are provided in the form of power spectra, fractal dimensions, bispectra, bicoherence spectra, and trispectrum. Experimental observations of transitions from periodic to periodically modulated to chaotically-modulated motions are also presented. (author)

Rich magneto-absorption spectra of AAB-stacked trilayer graphene.

Science.gov (United States)

Do, Thi-Nga; Shih, Po-Hsin; Chang, Cheng-Peng; Lin, Chiun-Yan; Lin, Ming-Fa

2016-06-29

A generalized tight-binding model is developed to investigate the feature-rich magneto-optical properties of AAB-stacked trilayer graphene. Three intragroup and six intergroup inter-Landau-level (inter-LL) optical excitations largely enrich magneto-absorption peaks. In general, the former are much higher than the latter, depending on the phases and amplitudes of LL wavefunctions. The absorption spectra exhibit single- or twin-peak structures which are determined by quantum modes, LL energy spectra and Fermion distribution. The splitting LLs, with different localization centers (2/6 and 4/6 positions in a unit cell), can generate very distinct absorption spectra. There exist extra single peaks because of LL anti-crossings. AAB, AAA, ABA, and ABC stackings considerably differ from one another in terms of the inter-LL category, frequency, intensity, and structure of absorption peaks. The main characteristics of LL wavefunctions and energy spectra and the Fermi-Dirac function are responsible for the configuration-enriched magneto-optical spectra.

Water stress assessment of cork oak leaves and maritime pine needles based on LIF spectra

Science.gov (United States)

Lavrov, A.; Utkin, A. B.; Marques da Silva, J.; Vilar, Rui; Santos, N. M.; Alves, B.

2012-02-01

The aim of the present work was to develop a method for the remote assessment of the impact of fire and drought stress on Mediterranean forest species such as the cork oak ( Quercus suber) and maritime pine ( Pinus pinaster). The proposed method is based on laser induced fluorescence (LIF): chlorophyll fluorescence is remotely excited by frequency-doubled YAG:Nd laser radiation pulses and collected and analyzed using a telescope and a gated high sensitivity spectrometer. The plant health criterion used is based on the I 685/ I 740 ratio value, calculated from the fluorescence spectra. The method was benchmarked by comparing the results achieved with those obtained by conventional, continuous excitation fluorometric method and water loss gravimetric measurements. The results obtained with both methods show a strong correlation between them and with the weight-loss measurements, showing that the proposed method is suitable for fire and drought impact assessment on these two species.

The CLAS Excited Baryon Program at Jefferson Laboratory

International Nuclear Information System (INIS)

Crede, Volker

2009-01-01

Nucleons are complex systems of confined quarks and exhibit characteristic spectra of excited states. Highly excited nucleon states are sensitive to details of quark confinement which is poorly understood within Quantum Chromodynamics (QCD), the fundamental theory of strong interactions. Thus, measurements of excited states and the corresponding determination of their properties are needed to come to a better understanding of how confinement works in nucleons. However, the excited states of the nucleon cannot simply be inferred from cleanly separated spectral lines. Quite the contrary, a spectral analysis in nucleon resonance physics is challenging because of the fact that the resonances are broadly overlapping states which decay into a multitude of final states involving mesons and baryons. To provide a consistent and complete picture of an individual nucleon resonance, the various possible production and decay channels must be treated in a multi-channel framework that permits separat

Interpretation of monoclinic hafnia valence electron energy-loss spectra by time-dependent density functional theory

Science.gov (United States)

Hung, L.; Guedj, C.; Bernier, N.; Blaise, P.; Olevano, V.; Sottile, F.

2016-04-01

We present the valence electron energy-loss spectrum and the dielectric function of monoclinic hafnia (m -HfO2) obtained from time-dependent density-functional theory (TDDFT) predictions and compared to energy-filtered spectroscopic imaging measurements in a high-resolution transmission-electron microscope. Fermi's golden rule density-functional theory (DFT) calculations can capture the qualitative features of the energy-loss spectrum, but we find that TDDFT, which accounts for local-field effects, provides nearly quantitative agreement with experiment. Using the DFT density of states and TDDFT dielectric functions, we characterize the excitations that result in the m -HfO2 energy-loss spectrum. The sole plasmon occurs between 13 and 16 eV, although the peaks ˜28 and above 40 eV are also due to collective excitations. We furthermore elaborate on the first-principles techniques used, their accuracy, and remaining discrepancies among spectra. More specifically, we assess the influence of Hf semicore electrons (5 p and 4 f ) on the energy-loss spectrum, and find that the inclusion of transitions from the 4 f band damps the energy-loss intensity in the region above 13 eV. We study the impact of many-body effects in a DFT framework using the adiabatic local-density approximation (ALDA) exchange-correlation kernel, as well as from a many-body perspective using "scissors operators" matched to an ab initio G W calculation to account for self-energy corrections. These results demonstrate some cancellation of errors between self-energy and excitonic effects, even for excitations from the Hf 4 f shell. We also simulate the dispersion with increasing momentum transfer for plasmon and collective excitation peaks.

Excited states rotational effects on the behavior of excited molecules

CERN Document Server

Lim, Edward C

2013-01-01

Excited States, Volume 7 is a collection of papers that discusses the excited states of molecules. The first paper reviews the rotational involvement in intra-molecular in vibrational redistribution. This paper analyzes the vibrational Hamiltonian as to its efficacy in detecting the manifestations of intra-molecular state-mixing in time-resolved and time-averaged spectroscopic measurements. The next paper examines the temporal behavior of intra-molecular vibration-rotation energy transfer (IVRET) and the effects of IVRET on collision, reaction, and the decomposition processes. This paper also

Comparison of Surface-enhanced Raman Scattering Spectra of Two Kinds of Silver Nanoplate Films

Institute of Scientific and Technical Information of China (English)

TAO Jin-long; TANG Bin; XU Shu-ping; PAN Ling-yun; XU Wei-qing

2012-01-01

Surface-enhanced Raman scattering(SERS) spectra of different silver nanoplate self-assembled films at different excitation wavelengths were fairly compared.Shape conversion from silver nanoprisms to nanodisks on slides was in situ carried out.The SERS spectra of 4-mercaptopyridine(4-MPY) on these anisotropic silver nanoparticle self-assembled films present that strong enhancement appeared when the excitation line and the surface plasmon resonance(SPR) band of silver substrate overlapped.In this model,the influence of the crystal planes of silver nanoplates on SERS enhancement could be ignored because the basal planes were nearly unchanged in two kinds of silver nanoplate self-assembled films.

Properties of Energy Spectra of Molecular Crystals Investigated by Nonlinear Theory

Science.gov (United States)

Pang, Xiao-Feng; Zhang, Huai-Wu

We calculate the quantum energy spectra of molecular crystals, such as acetanilide, by using discrete nonlinear Schrodinger equation, containing various interactions, appropriate to the systems. The energy spectra consist of many energy bands, in each energy band there are a lot of energy levels including some higher excited states. The result of energy spectrum is basically consistent with experimental values obtained by infrared absorption and Raman scattering in acetanilide and can also explain some experimental results obtained by Careri et al. Finally, we further discuss the influences of variously characteristic parameters on the energy spectra of the systems.

An experimental and theoretical investigation into the excited electronic states of phenol

Energy Technology Data Exchange (ETDEWEB)

Jones, D. B.; Chiari, L. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, SA 5001 (Australia); Silva, G. B. da [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, SA 5001 (Australia); Universidade Federal de Mato Grosso, Barra do Garças, Mato Grosso (Brazil); Neves, R. F. C. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, SA 5001 (Australia); Departamento de Física, UFJF, Juiz de Fora, MG (Brazil); Instituto Federal do Sul de Minas Gerais, Campus Poços de Caldas, Minas Gerais (Brazil); Duque, H. V. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, SA 5001 (Australia); Departamento de Física, UFJF, Juiz de Fora, MG (Brazil); Oliveira, E. M. de; Lima, M. A. P. [Instituto de Física “Gleb Wataghin,” Universidade Estadual de Campinas, 13083-859 Campinas, São Paulo (Brazil); Lopes, M. C. A. [Departamento de Física, UFJF, Juiz de Fora, MG (Brazil); Costa, R. F. da [Centro de Ciências Naturais e Humanas, Universidade Federal do ABC, 09210-580 Santo André, São Paulo (Brazil); Varella, M. T. do N. [Instituto de Física, Universidade de São Paulo, CP 66318, 05315-970 São Paulo (Brazil); Bettega, M. H. F. [Departamento de Física, Universidade Federal do Paraná, CP 19044, 81531-990 Curitiba, Paraná (Brazil); and others

2014-08-21

We present experimental electron-energy loss spectra (EELS) that were measured at impact energies of 20 and 30 eV and at angles of 90° and 10°, respectively, with energy resolution ∼70 meV. EELS for 250 eV incident electron energy over a range of angles between 3° and 50° have also been measured at a moderate energy resolution (∼0.9 eV). The latter spectra were used to derive differential cross sections and generalised oscillator strengths (GOS) for the dipole-allowed electronic transitions, through normalization to data for elastic electron scattering from benzene. Theoretical calculations were performed using time-dependent density functional theory and single-excitation configuration interaction methods. These calculations were used to assign the experimentally measured spectra. Calculated optical oscillator strengths were also compared to those derived from the GOS data. This provides the first investigation of all singlet and triplet excited electronic states of phenol up to the first ionization potential.

Spectroscopy of collective excitations in interacting low-dimensional many-body systems using quench dynamics.

Science.gov (United States)

Gritsev, Vladimir; Demler, Eugene; Lukin, Mikhail; Polkovnikov, Anatoli

2007-11-16

We study the problem of rapid change of the interaction parameter (quench) in a many-body low-dimensional system. It is shown that, measuring the correlation functions after the quench, the information about a spectrum of collective excitations in a system can be obtained. This observation is supported by analysis of several integrable models and we argue that it is valid for nonintegrable models as well. Our conclusions are supplemented by performing exact numerical simulations on finite systems. We propose that measuring the power spectrum in a dynamically split 1D Bose-Einsten condensate into two coupled condensates can be used as an experimental test of our predictions.

Nuclear Neutrino Spectra in Late Stellar Evolution

Science.gov (United States)

Misch, G. Wendell; Sun, Yang; Fuller, George

2018-05-01

Neutrinos are the principle carriers of energy in massive stars, beginning from core carbon burning and continuing through core collapse and after the core bounce. In fact, it may be possible to detect neutrinos from nearby pre-supernova stars. Therefore, it is of great interest to understand the neutrino energy spectra from these stars. Leading up to core collapse, beginning around core silicon burning, nuclei become dominant producers of neutrinos, particularly at high neutrino energy, so a systematic study of nuclear neutrino spectra is desirable. We have done such a study, and we present our sd-shell model calculations of nuclear neutrino energy spectra for nuclei in the mass number range A = 21 - 35. Our study includes neutrinos produced by charged lepton capture, charged lepton emission, and neutral current nuclear deexcitation. Previous authors have tabulated the rates of charged current nuclear weak interactions in astrophysical conditions, but the present work expands on this not only by providing neutrino energy spectra, but also by including the heretofore untabulated neutral current de-excitation neutrino pairs.

Evolution of collectivity in the 78Ni region: Coulomb excitation of 74Ni at intermediate energies.

Directory of Open Access Journals (Sweden)

Marchi T.

2014-03-01

Full Text Available The study of the collective properties of nuclear excitations far from stability provides information about the shell structure at extreme conditions. Spectroscopic observables such as the energy or the transition probabilities of the lowest states, in nuclei with large neutron excess, allow to probe the density and isospin dependence of the effective interaction. Indeed, it was recently shown that tensor and three-body forces play an important role in breaking and creating magic numbers. Emblematic is the case of the evolution of the Ni isotopic chain where several features showed up moving from the most neutron rich stable isotope (64Ni towards the 78Ni nucleus where the large neutron excess coincides with a double shell closure. In this framework, we have recently performed an experiment with the goal to extract the B(E2; 0+ → 2+ value for the 74Ni nucleus in an intermediate-energy Coulomb excitation experiment: preliminary results are discussed.

Kinetic studies following state-selective laser excitation: Progress report, March 15, 1988--March 14, 1989

International Nuclear Information System (INIS)

Keto, J.W.

1988-11-01

The objective of this contract is the study of state-to-state, electronic energy transfer reactions following two-photon laser excitation. We have chosen to study reactions of Xe 5p 5 np because of their relevance to the XeCl excimer laser. We are studying deactivation reactions in collisions with heavy atoms such as Ar, Kr, and Xe and reactive collisions with chlorides. The reactants are excited by multiphoton laser absorption. Product channels are observed by their fluorescence, or by laser induced fluorescence using a second color laser. Reaction rates are measured by observing the time dependent decay of signals from reactant and product channels. In addition we measure interaction potentials of the reactants by laser spectroscopy where the laser induced fluorescence or ionization is measured as a function of laser wavelength (excitation spectra) or by measuring fluorescence spectra at fixed laser frequencies with monochromators. The spectra are obtained in the form of either lineshapes or individual lines from rovibrational transitions of bound states. 11 refs. 4 figs., 3 tabs

Generation and decay dynamics of triplet excitons in Alq3 thin films under high-density excitation conditions.

Science.gov (United States)

Watanabe, Sadayuki; Furube, Akihiro; Katoh, Ryuzi

2006-08-31

We studied the generation and decay dynamics of triplet excitons in tris-(8-hydroxyquinoline) aluminum (Alq3) thin films by using transient absorption spectroscopy. Absorption spectra of both singlet and triplet excitons in the film were identified by comparison with transient absorption spectra of the ligand molecule (8-hydroxyquinoline) itself and the excited triplet state in solution previously reported. By measuring the excitation light intensity dependence of the absorption, we found that exciton annihilation dominated under high-density excitation conditions. Annihilation rate constants were estimated to be gammaSS = (6 +/- 3) x 10(-11) cm3 s(-1) for single excitons and gammaTT = (4 +/- 2) x 10(-13) cm3 s(-1) for triplet excitons. From detailed analysis of the light intensity dependence of the quantum yield of triplet excitons under high-density conditions, triplet excitons were mainly generated through fission from highly excited singlet states populated by singlet-singlet exciton annihilation. We estimated that 30% of the highly excited states underwent fission.

Characterization of ESIPT reactions with instant spectra of fluorescence and complexation processes

International Nuclear Information System (INIS)

Tomin, Vladimir I.; Ushakou, Dzmitryi V.

2016-01-01

Proton transfer processes and especially excited-state intramolecular proton transfer (ESIPT) are of interest not only in physical studies but in a wide range of biological and chemical researches, since they play an important role in different fundamental reactions. Moreover, occurrence of ESIPT very often causes two-bands emission spectra corresponding to the normal and photoproduct (tautomer) forms of molecular structure. It allows carrying out unique measurement of microcharacteristics in chemical and biological researches by using substances with ESIPT as molecular probes, because its dual emission is very sensitive to parameters of microenvironment. Dual fluorescence signal is very convenient for two wavelength ratiometric measurements as they are more sensitive to variations of sample characteristics. Recently new approach for revealing type of excited state reaction which is based on analysis of dynamic changes of relative intensities in instant spectra of fluorescence ESIPT solutes was suggested and tested for neat solutions. Now we generalize this method on solutions in which ESIPT solute may participate also in creating fluorescent complexes. We demonstrate that relative intensities of instant spectra of fluorescence registered with high time resolution allow to get valuable information referring to type of excited state reaction in which dye may undergo complexation reactions with ions in solvent. In addition we show how it is possible in such case to determine characteristics of complexation as, for example, stability constant and efficiency of complexation.

Transition rate diagrams and excitation of titanium in a glow discharge in argon and neon

Science.gov (United States)

Weiss, Zdeněk; Steers, Edward B. M.; Pickering, Juliet C.

2018-06-01

Emission spectra of titanium in a Grimm-type glow discharge in argon and neon were studied using the formalism of transition rate diagrams. Ti I spectra in argon and neon discharges are similar, without signs of selective excitation, and populations of Ti I levels exhibit a decreasing trend as function of energy, except for some scatter. A major excitation process of Ti II in argon discharge is charge transfer from argon ions to neutral titanium. In neon discharge, a strong selective excitation was observed of Ti II levels at ≈13.3-13.4 eV relative to the Ti I ground state. It was attributed to charge transfer from doubly charged titanium ions to neutral titanium, while the Ti++ ions are produced by charge transfer and ionization of neutral titanium by neon ions. Cascade excitation is important for Ti II levels up to an energy of ≈13 eV relative to the Ti I ground state, both in argon and neon discharges.

Anisotropy in the simultaneous excitation of two colliding atoms to various substate combinations

International Nuclear Information System (INIS)

Moorman, L.

1987-01-01

In this thesis double-atom excitation (DAE) processes in atomic collision experiments are studied by measuring the angular correlation of two coincident photons emitted by both excited collision particles. The analytical expression for the angular correlation function is derived which contains as adjustable parameters the various (complex) excitation amplitudes integrated over all scattering angles. The He+He system is investigated, for projectile energies between 0.5 and 3.5 keV, in which both particles are excited simultaneously to the 2 1 P state. The relation between photon correlations and atomic state correlations is investigated and the density matrix elements are calculated for a statistical distribution of the excited atomic substates into which a certain symmetry is incorporated. Collisions between metastable and groundstate He atoms are considered. Single-photon spectra are presented and compared with spectra from the He+He collision system. Coincidence measurements were performed on these collision systems to study possible double-atom excitations. Coincidences between two ultraviolet as well as an ultraviolet and a visible photon were measu0515 Also a measurement is reported of the relative population of the magnetic substates of the 3 1 D state of helium. Coincidence measurements on two ultraviolet photons emitted upon Ne-Ne and He-Ne collisions are described and the double-atom excitations for these systems are studied. For Ne+Ne no coincidence peaks were found. For He+Ne double-atom excitation was observed and from the measured angular correlations the corresponding density matrix elements for some kinetic energies of the projectile. (Auth.)

Probing collective oscillation of d-orbital electrons at the nanoscale

Science.gov (United States)

Dhall, Rohan; Vigil-Fowler, Derek; Houston Dycus, J.; Kirste, Ronny; Mita, Seiji; Sitar, Zlatko; Collazo, Ramon; LeBeau, James M.

2018-02-01

Here, we demonstrate that high energy electrons can be used to explore the collective oscillation of s, p, and d orbital electrons at the nanometer length scale. Using epitaxial AlGaN/AlN quantum wells as a test system, we observe the emergence of additional features in the loss spectrum with the increasing Ga content. A comparison of the observed spectra with ab-initio theory reveals that the origin of these spectral features lies in excitations of 3d-electrons contributed by Ga. We find that these modes differ in energy from the valence electron plasmons in Al1-xGaxN due to the different polarizabilities of the d electrons. Finally, we study the dependence of observed spectral features on the Ga content, lending insights into the origin of these spectral features, and their coupling with electron-hole excitations.

Single-photon cesium Rydberg excitation spectroscopy using 318.6-nm UV laser and room-temperature vapor cell.

Science.gov (United States)

Wang, Jieying; Bai, Jiandong; He, Jun; Wang, Junmin

2017-09-18

We demonstrate a single-photon Rydberg excitation spectroscopy of cesium (Cs) atoms in a room-temperature vapor cell. Cs atoms are excited directly from 6S 1/2 ground state to nP 3/2 (n = 70 - 100) Rydberg states with a 318.6 nm ultraviolet (UV) laser, and Rydberg excitation spectra are obtained by transmission enhancement of a probe beam resonant to Cs 6S 1/2 , F = 4 - 6P 3/2 , F' = 5 transition as partial population on F = 4 ground state are transferred to Rydberg state. Analysis reveals that the observed spectra are velocity-selective spectroscopy of Rydberg state, from which the amplitude and linewidth influenced by lasers' Rabi frequency have been investigated. Fitting to energies of Cs nP 3/2 (n = 70 -100) states, the determined quantum defect is 3.56671(42). The demodulated spectra can also be employed as frequency references to stabilize the UV laser frequency to specific Cs Rydberg transition.

Product state resolved excitation spectroscopy of He-, Ne-, and Ar-Br2 linear isomers: experiment and theory.

Science.gov (United States)

Pio, Jordan M; van der Veer, Wytze E; Bieler, Craig R; Janda, Kenneth C

2008-04-07

Valence excitation spectra for the linear isomers of He-, Ne-, and Ar-Br2 are reported and compared to a two-dimensional simulation using the currently available potential energy surfaces. Excitation spectra from the ground electronic state to the region of the inner turning point of the Rg-Br2 (B,nu') stretching coordinate are recorded while probing the asymptotic Br2 (B,nu') state. Each spectrum is a broad continuum extending over hundreds of wavenumbers, becoming broader and more blueshifted as the rare gas atom is changed from He to Ne to Ar. In the case of Ne-Br2, the threshold for producing the asymptotic product state reveals the X-state linear isomer bond energy to be 71+/-3 cm(-1). The qualitative agreement between experiment and theory shows that the spectra can be correctly regarded as revealing the one-atom solvent shifts and also provides new insight into the one-atom cage effect on the halogen vibrational relaxation. The measured spectra provide data to test future ab initio potential energy surfaces in the interaction of rare gas atoms with the halogen valence excited state.

Synthesis of novel Dy3+ activated phosphate phosphors for NUV excited LED

International Nuclear Information System (INIS)

Shinde, K.N.; Dhoble, S.J.; Kumar, Animesh

2011-01-01

The new trivalent dysprosium activated X 6 AlP 5 O 20 (where X=Sr, Ba, Ca and Mg) phosphors were prepared by the combustion method. The prepared phosphors are characterized by XRD, photoluminescence and SEM techniques. Excited by 350 nm near-ultraviolet (NUV) light, the phosphors show an efficient blue and yellow band emissions, which originates from the 4 F 9/2 → 6 H 15/2 and 4 F 9/2 → 6 H 13/2 transitions of Dy 3+ ion, respectively. The excitation spectra of the phosphors are broadband extending from 340 to 400 nm, which are characteristics of NUV excited LED. The effect of the Dy 3+ concentration on the luminescence properties of X 6 AlP 5 O 20 :Dy 3+ (where X=Sr, Ba, Ca and Mg) phosphors is studied. Ca 6 AlP 5 O 20 phosphors show strong PL emission intensity around 25 times more as compared to Ba 6 AlP 5 O 20 , Sr 6 AlP 5 O 20 and Mg 6 AlP 5 O 20 phosphors. The investigated prepared phosphors are suitable for a NUV excited LED. - Research highlights: → Novel Dy 3+ activated X 6 AlP 5 O 20 (where X=Sr,Ba,Ca and Mg) phosphors were prepared by combustion method which is very low cost and time saving synthesis method. → The excitation spectra of the phosphors are broad band extending from 340 nm to 400 nm, which is characteristics of NUV excited LED. → PL emission spectra show two emissions (485 and 573 nm) and X 6 AlP 5 O 20 :Dy 3+ 0.5 mol% (where X=Sr,Ba,Ca and Mg) phosphors shows strongest PL emission intensity. → SEM analysis indicates that phosphor particles have irregular shape, porous morphology and less than 3-4 μm in size, which is suitable for the solid state lighting (coating purpose).

High-resolution spectroscopy in superfluid helium droplets. Investigation of vibrational fine structures in electronic spectra of phthalocyanine and porphyrin derivatives

Energy Technology Data Exchange (ETDEWEB)

Riechers, Ricarda Eva Friederike Elisabeth

2011-03-22

Since a considerably large variety of substituted compounds is commercially available and the electronic excitation spectra fit well into the spectral range covered by the continuous wave dye laser used for this study several porphyrin and phthalocyanine derivatives substituted with different types and numbers of alkyl and aryl groups were chosen as molecular probes. Recording fluorescence excitation and dispersed emission spectra revealed exclusively sharp transitions for all species. A change of the molecule's electrostatic moments, primarily and most effectively, a change of the molecular dipole moment regarding both magnitude and orientation, was identified as the main contribution for line broadening effects. Apart from the sharp lines presented in their fluorescence excitation spectra, the phthalocyanine derivatives investigated for this study, namely chloro-aluminium-phthalocyanine (AlClPc) and tetra-tertbutyl-phthalocyanine (TTBPc), exhibited more than one emission spectrum.

High-resolution spectroscopy in superfluid helium droplets. Investigation of vibrational fine structures in electronic spectra of phthalocyanine and porphyrin derivatives

International Nuclear Information System (INIS)

Riechers, Ricarda Eva Friederike Elisabeth

2011-01-01

Since a considerably large variety of substituted compounds is commercially available and the electronic excitation spectra fit well into the spectral range covered by the continuous wave dye laser used for this study several porphyrin and phthalocyanine derivatives substituted with different types and numbers of alkyl and aryl groups were chosen as molecular probes. Recording fluorescence excitation and dispersed emission spectra revealed exclusively sharp transitions for all species. A change of the molecule's electrostatic moments, primarily and most effectively, a change of the molecular dipole moment regarding both magnitude and orientation, was identified as the main contribution for line broadening effects. Apart from the sharp lines presented in their fluorescence excitation spectra, the phthalocyanine derivatives investigated for this study, namely chloro-aluminium-phthalocyanine (AlClPc) and tetra-tertbutyl-phthalocyanine (TTBPc), exhibited more than one emission spectrum.

Observations of localised dielectric excitations, secondary events and ionisation damage by scanning transmission electron microscopy

International Nuclear Information System (INIS)

Howie, A.

1988-01-01

In the scanning transmission electron microscope (STEM) a high intensity /approximately/0.5nm diameter, probe of 100 keV electrons is formed. This can be positioned to collect energy loss spectra from surfaces, interfaces, small spheres or other particles at controlled values of impact parameter or can be scanned across the object (usually a thin film) to produce high resolution images formed from a variety of signals - small angle or large angle (Z contrast) elastic scattering, inelastic scattering (both valence and core losses), secondary electron emission and x-ray or optical photon emission. The high spatial resolution achievable in a variety of simple structures raises many unsolved theoretical problems concerning the generation, propagation and decay of excitations in inhomogeneous media. These range from quite well posed problems in the mathematical physics of dielectric excitation to problems of plasmon propagation and rather more exotic and less well understood problems of radiation damage. 15 refs., 4 figs

Effects of noise in excitable systems

International Nuclear Information System (INIS)

Lindner, B.; Garcia-Ojalvo, J.; Neiman, A.; Schimansky-Geier, L.

2004-01-01

We review the behavior of theoretical models of excitable systems driven by Gaussian white noise. We focus mainly on those general properties of such systems that are due to noise, and present several applications of our findings in biophysics and lasers. As prototypes of excitable stochastic dynamics we consider the FitzHugh-Nagumo and the leaky integrate-and-fire model, as well as cellular automata and phase models. In these systems, taken as individual units or as networks of globally or locally coupled elements, we study various phenomena due to noise, such as noise-induced oscillations, stochastic resonance, stochastic synchronization, noise-induced phase transitions and noise-induced pulse and spiral dynamics. Our approach is based on stochastic differential equations and their corresponding Fokker-Planck equations, treated by both analytical calculations and/or numerical simulations. We calculate and/or measure the rate and diffusion coefficient of the excitation process, as well as spectral quantities like power spectra and degree of coherence. Combined with a multiparametric bifurcation analysis of the corresponding cumulant equations, these approaches provide a comprehensive picture of the multifaceted dynamical behaviour of noisy excitable systems

The electronic structure of VO in its ground and electronically excited states: A combined matrix isolation and quantum chemical (MRCI) study

International Nuclear Information System (INIS)

Hübner, Olaf; Hornung, Julius; Himmel, Hans-Jörg

2015-01-01

The electronic ground and excited states of the vanadium monoxide (VO) molecule were studied in detail. Electronic absorption spectra for the molecule isolated in Ne matrices complement the previous gas-phase spectra. A thorough quantum chemical (multi-reference configuration interaction) study essentially confirms the assignment and characterization of the electronic excitations observed for VO in the gas-phase and in Ne matrices and allows the clarification of open issues. It provides a complete overview over the electronically excited states up to about 3 eV of this archetypical compound

Kinetic studies following state-selective laser excitation

International Nuclear Information System (INIS)

Keto, J.W.

1992-01-01

We have made measurements of state-to-state deactivation cross sections and radiative lifetimes for Xe*(6p,6p',7p) and Kr*(5p) states in xenon and krypton buffer gases. These results are relevant to kinetic models and both excimer lasers and the infrared xenon laser; and they are a significant improvement in the precision of the known radiative lifetimes. This type of experiment can now be compared with recent calculations of state-to-state collisional relaxation in rare-gases by Hickman, Huestis, and Saxon. We have also made significant progress in the study of the electronic spectra of small molecules of the rare gases. Spectra have been obtained for Xe 2 , Xe 3 , Xe 4 , and larger clusters. As guidance for the larger clusters of the rare gases we have obtained the first multiphoton spectra for excitons in condensed xenon. In collaboration with research on the multiphoton spectra of the rare gases, we have continued experiments using synchrotron radiation in collaboration with the University of Hamburg. In experiments there we have observed excitation and fluorescence spectra for single xenon atoms at the surface, within the second layer, and within the bulk of large argon clusters

Separation of extrinsic and intrinsic plasmon excitations in Ge KLL Auger spectra

International Nuclear Information System (INIS)

Berenyi, Z.; Aszalos-Kiss, B.; Csik, A.; Toth, J.; Koever, L.; Varga, D.

2002-01-01

The nature of the Ge satellite structure and the contributions from extrinsic and intrinsic processes were investigated using the ESA-31 electron spectrometer. These measurements are providing the first high energy resolution Ge KLL data. The intensity ratio of the plasmon peaks induced by intrinsic and extrinsic excitation processes is found. (R.P.)

Localization and mass spectra of various matter fields on Weyl thin brane

Energy Technology Data Exchange (ETDEWEB)

Sui, Tao-Tao; Zhao, Li; Zhang, Yu-Peng [Lanzhou University, Institute of Theoretical Physics, Lanzhou (China); Xie, Qun-Ying [Lanzhou University, School of Information Science and Engineering, Lanzhou (China)

2017-06-15

It has been shown that the thin brane model in a five-dimensional Weyl gravity can deal with the wrong-signed Friedmann-like equation in the Randall-Sundrum-1 (RS1) model. In the Weyl brane model, there are also two branes with opposite brane tensions, but the four-dimensional graviton (the gravity zero mode) is localized near the negative tension brane, while our four-dimensional universe is localized on the positive tension brane. In this paper, we consider the mass spectra of various bulk matter fields (i.e., scalar, vector, and fermion fields) on the Weyl brane. It is shown that the zero modes of those matter fields can be localized on the positive tension brane under some conditions. The mass spectra of the bulk matter fields are equidistant for the higher excited states, and relatively sparse for the lower excited states. The size of the extra dimension determines the gap of the mass spectra. We also consider the correction to the Newtonian potential in this model and it is proportional to 1/r{sup 3}. (orig.)

Increasing the applicability of density functional theory. V. X-ray absorption spectra with ionization potential corrected exchange and correlation potentials

Energy Technology Data Exchange (ETDEWEB)

Verma, Prakash; Bartlett, Rodney J., E-mail: bartlett@qtp.ufl.edu [Quantum Theory Project, University of Florida, Gainesville, Florida 32611 (United States)

2016-07-21

Core excitation energies are computed with time-dependent density functional theory (TD-DFT) using the ionization energy corrected exchange and correlation potential QTP(0,0). QTP(0,0) provides C, N, and O K-edge spectra to about an electron volt. A mean absolute error (MAE) of 0.77 and a maximum error of 2.6 eV is observed for QTP(0,0) for many small molecules. TD-DFT based on QTP (0,0) is then used to describe the core-excitation spectra of the 22 amino acids. TD-DFT with conventional functionals greatly underestimates core excitation energies, largely due to the significant error in the Kohn-Sham occupied eigenvalues. To the contrary, the ionization energy corrected potential, QTP(0,0), provides excellent approximations (MAE of 0.53 eV) for core ionization energies as eigenvalues of the Kohn-Sham equations. As a consequence, core excitation energies are accurately described with QTP(0,0), as are the core ionization energies important in X-ray photoionization spectra or electron spectroscopy for chemical analysis.

Increasing the applicability of density functional theory. V. X-ray absorption spectra with ionization potential corrected exchange and correlation potentials.

Science.gov (United States)

Verma, Prakash; Bartlett, Rodney J

2016-07-21

Core excitation energies are computed with time-dependent density functional theory (TD-DFT) using the ionization energy corrected exchange and correlation potential QTP(0,0). QTP(0,0) provides C, N, and O K-edge spectra to about an electron volt. A mean absolute error (MAE) of 0.77 and a maximum error of 2.6 eV is observed for QTP(0,0) for many small molecules. TD-DFT based on QTP (0,0) is then used to describe the core-excitation spectra of the 22 amino acids. TD-DFT with conventional functionals greatly underestimates core excitation energies, largely due to the significant error in the Kohn-Sham occupied eigenvalues. To the contrary, the ionization energy corrected potential, QTP(0,0), provides excellent approximations (MAE of 0.53 eV) for core ionization energies as eigenvalues of the Kohn-Sham equations. As a consequence, core excitation energies are accurately described with QTP(0,0), as are the core ionization energies important in X-ray photoionization spectra or electron spectroscopy for chemical analysis.

Photo-excited charge collection spectroscopy probing the traps in field-effect transistors

CERN Document Server

Im, Seongil; Kim, Jae Hoon

2013-01-01

Solid state field-effect devices such as organic and inorganic-channel thin-film transistors (TFTs) have been expected to promote advances in display and sensor electronics. The operational stabilities of such TFTs are thus important, strongly depending on the nature and density of charge traps present at the channel/dielectric interface or in the thin-film channel itself. This book contains how to characterize these traps, starting from the device physics of field-effect transistor (FET). Unlike conventional analysis techniques which are away from well-resolving spectral results, newly-introduced photo-excited charge-collection spectroscopy (PECCS) utilizes the photo-induced threshold voltage response from any type of working transistor devices with organic-, inorganic-, and even nano-channels, directly probing on the traps. So, our technique PECCS has been discussed through more than ten refereed-journal papers in the fields of device electronics, applied physics, applied chemistry, nano-devices and materia...

Simulation of X-ray absorption spectra with orthogonality constrained density functional theory.

Science.gov (United States)

Derricotte, Wallace D; Evangelista, Francesco A

2015-06-14

Orthogonality constrained density functional theory (OCDFT) [F. A. Evangelista, P. Shushkov and J. C. Tully, J. Phys. Chem. A, 2013, 117, 7378] is a variational time-independent approach for the computation of electronic excited states. In this work we extend OCDFT to compute core-excited states and generalize the original formalism to determine multiple excited states. Benchmark computations on a set of 13 small molecules and 40 excited states show that unshifted OCDFT/B3LYP excitation energies have a mean absolute error of 1.0 eV. Contrary to time-dependent DFT, OCDFT excitation energies for first- and second-row elements are computed with near-uniform accuracy. OCDFT core excitation energies are insensitive to the choice of the functional and the amount of Hartree-Fock exchange. We show that OCDFT is a powerful tool for the assignment of X-ray absorption spectra of large molecules by simulating the gas-phase near-edge spectrum of adenine and thymine.

XUV spectra of highly ionised molybdenum

Energy Technology Data Exchange (ETDEWEB)

Mansfield, M W.D.; Peacock, N J; Smith, C C; Hobby, M G [UKAEA, Abingdon. Culham Lab.; Cowan, R D

1978-05-14

The spectra of molybdenum ions produced in Tokamaks in the wavelength range 10-200 A have been reproduced in a plasma formed by laser beam irradiation of solid molybdenum targets. Lines from highly ionised stages of molybdenum (Mo XXX to Mo XXXII) have been distinguished by varying the laser beam intensity. Detailed analyses of the simpler ions, Mo XV (Ni-like), Mo XVI (Co-like), Mo XXXII (Na-like), and to a lesser extent Mo XXXI (Mg-like) and Mo XVII (Fe-like), have been achieved by comparison with ab initio calculations. A general interpretation of intermediate ion stages is also given but it is shown that most of these spectra are so complex, as a result of inner-subshell excitation, that detailed term-scheme analyses are nearly impossible.

Transverse excitations in liquid Fe, Cu and Zn

International Nuclear Information System (INIS)

Hosokawa, S; Inui, M; Kajihara, Y; Tsutsui, S; Baron, A Q R

2015-01-01

Transverse acoustic (TA) excitation modes were observed in inelastic x-ray scattering spectra of liquid Fe, Cu and Zn. From the analysis of current correlation functions, we concluded that TA excitation modes can experimentally be detected through the quasi-TA branches in the longitudinal current correlation spectra in these liquid metals. The microscopic elastic constants are estimated and a characteristic difference from macroscopic polycrystalline value was found in Poisson's ratio of liquid Fe, which shows an extremely softer value of ∼0.38 compared with the macroscopic value of ∼0.275. The lifetime of the TA modes were determined to be ∼0.45 ps for liquid Fe and Cu and ∼0.55 ps for liquid Zn, reflecting different interatomic correlations between liquid transition metals and non-transition metals. The propagation length of the TA modes are ∼0.85 nm in all of liquid metals, corresponding to the size of icosahedral or similar size of cages formed instantaneously in these liquid metals. (paper)

Triple Giant Resonance Excitations: A Microscopic Approach

International Nuclear Information System (INIS)

Lanza, E.G.; Andres, M.V.; Catara, F.; Chomaz, Ph.; Fallot, M.; Scarpaci, J.A.

2007-01-01

We present, for the first time, microscopic calculations of inelastic cross sections of the triple excitation of giant resonances induced by heavy ion probes. We start from a microscopic approach based on RPA. The mixing of three-phonon states among themselves and with two- and one-phonon states is considered within a boson expansion with Pauli corrections. In this way we go beyond the standard harmonic approximations and get anharmonic excitation spectra. At the same time we also introduce non-linearities in the external field. The calculations are done by solving semiclassical coupled channel equations, the channels being superpositions of one-, two- and three-phonon states. Previous calculations for the Double Giant Resonance excitation show good agreement with experimental cross sections. The inclusion of the three phonon components confirms the previous results for the DGR and produces a strong increase in the Triple GR energy region

Some studies on the formation of excited states of aromatic solutes in hydrocarbons and other solvents

Energy Technology Data Exchange (ETDEWEB)

Salmon, G A [Leeds Univ. (UK). Cookridge High Energy Radiation Research Centre

1976-01-01

This paper reviews the work of the author and his co-workers on the radiation-induced formation of excited states of aromatic compounds in solution. The experimental methods used are surveyed and in particular the method of measuring the yields of triplet and singlet excited states of the solute are described. The problems discussed are: (1) the effect of solvent on the yields of excited states, (2) formation of excited states in cyclohexane and other alicyclic hydrocarbons, (3) the formation of excited states in benzene and (4) the identification of T-T absorption spectra.

Electronic spectra of astrophysically interesting cations

Energy Technology Data Exchange (ETDEWEB)

Maier, John P., E-mail: j.p.maier@unibas.ch; Rice, Corey A., E-mail: j.p.maier@unibas.ch; Mazzotti, Fabio J., E-mail: j.p.maier@unibas.ch; Johnson, Anatoly, E-mail: j.p.maier@unibas.ch [Department of Chemistry, University of Basel, Klingelbergstr. 80, CH-4056 Basel (Switzerland)

2015-01-22

The electronic spectra of polyacetylene cations were recorded at 20K in the laboratory in an ion trap instrument. These can then be compared with diffuse interstellar band (DIB) absorptions. Examination of recently published data shows that the attribution of a weak DIB at ∼506.9 nm to diacetylene cation is not justified. Study of the higher excited electronic states of polyacetylene cations shows that their widths can still be sufficiently narrow for consideration as DIB carriers.

Magnetic excitations in ferromagnetic semiconductors

International Nuclear Information System (INIS)

Furdyna, J.K.; Liu, X.; Zhou, Y.Y.

2009-01-01

Magnetic excitations in a series of GaMnAs ferromagnetic semiconductor films were studied by ferromagnetic resonance (FMR). Using the FMR approach, multi-mode spin wave resonance spectra have been observed, whose analysis provides information on magnetic anisotropy (including surface anisotropy), distribution of magnetization precession within the GaMnAs film, dynamic surface spin pinning (derived from surface anisotropy), and the value of exchange stiffness constant D. These studies illustrate a combination of magnetism and semiconductor physics that is unique to magnetic semiconductors

Preliminary report on the IUE spectra of Mu(1) Scorpii

Energy Technology Data Exchange (ETDEWEB)

Sahade, J; Garcia, L G

1981-12-01

IUE ultraviolet spectra of the eclipsing binary Mu(1) Scorpii are examined. The available spectra correspond to primary eclipse and to one of the quadratures, and only display absorption lines. Many lines arising from resonance transitions are apparent and can be placed into groups. These include: sharp and deep lines identified with elements like O I, N I, C II, Si II, Al II, Fe II, Mg II which are probably circumstellar and interstellar lines that have about 1.5 FWHM identified with elements like Si III and Al III lines about 2 A FWHM identified as Si IV low excitation, relatively deep lines of about 1 A FWHM of C II, Si II, Si III, and Ti III and higher excitation, relatively broad and shallow lines of C III. The resonance lines of Si IV are characterized by a fine structure of as many as nine components which suggest velocity values ranging from -180 to about +150 km/s.

Microscopic approach in Inelastic Heavy-Ions Scattering with Excitation of Nuclear Collective States

International Nuclear Information System (INIS)

Lukyanov, K.V.; Zemlyanya, E.V.; Khtina, I.N.; Lukyanov, V.K; Metawe, Z.; Hanna, K.M.

2008-01-01

In the density distribution of a deformed target-nucleus,the spherical λ = 0 and the deformed λ = 2 parts were considered. On this basis, the corresponding potential parts U 0 and U i nt(2) of a double-folding microscopic nucleus-nucleus optical potential are obtained. Then, for these potentials and by using the coupled- channel technique (ECIS), the elastic and inelastic amplitudes are calculated for 17 O heavy ions scattering on 2 + collective excited stat of various target nuclei. Besides,the same cross-sections are calculated in the frame of an adiabatic approach of the eikonal approximation, where the inelastic amplitude is the linear function of U i nt (2).Both the obtained results are compared with the experimental data, and also discus their efficiency in predicting the deformation parameters of nuclei

Magnonic band structure, complete bandgap, and collective spin wave excitation in nanoscale two-dimensional magnonic crystals

International Nuclear Information System (INIS)

Kumar, D.; Barman, A.; Kłos, J. W.; Krawczyk, M.

2014-01-01

We present the observation of a complete bandgap and collective spin wave excitation in two-dimensional magnonic crystals comprised of arrays of nanoscale antidots and nanodots, respectively. Considering that the frequencies dealt with here fall in the microwave band, these findings can be used for the development of suitable magnonic metamaterials and spin wave based signal processing. We also present the application of a numerical procedure, to compute the dispersion relations of spin waves for any high symmetry direction in the first Brillouin zone. The results obtained from this procedure have been reproduced and verified by the well established plane wave method for an antidot lattice, when magnetization dynamics at antidot boundaries are pinned. The micromagnetic simulation based method can also be used to obtain iso–frequency contours of spin waves. Iso–frequency contours are analogous of the Fermi surfaces and hence, they have the potential to radicalize our understanding of spin wave dynamics. The physical origin of bands, partial and full magnonic bandgaps have been explained by plotting the spatial distribution of spin wave energy spectral density. Although, unfettered by rigid assumptions and approximations, which afflict most analytical methods used in the study of spin wave dynamics, micromagnetic simulations tend to be computationally demanding. Thus, the observation of collective spin wave excitation in the case of nanodot arrays, which can obviate the need to perform simulations, may also prove to be valuable

Research of electronic absorption spectra of benzazols derivatives by ab initio calculations

Science.gov (United States)

Irgibaeva, I. S.; Birimzhanova, D. A.; Barashkov, N. N.

Using the method of density functional theory in approximating B3LYP with the basis set 6-31G* the computations of structures and UV-vis spectra (TDDFT method) of benzazols derivatives were performed. The comparison of estimated electron spectra with the observed ones was made indicating good agreement of theoretically obtained results with experiment. Moreover these compounds have distinctive spectral-luminescent properties (large stokes shift) because of intramolecular proton transfer in excited state.

Polarized neutron determination of the magnetic excitations in YBa2Cu3O7

DEFF Research Database (Denmark)

Mook, H.A.; Yethiraj, M.; Aeppli, G.

1993-01-01

Polarization analysis has been used to identify the magnetic excitations in YBa2Cu3O7. The dominant feature in the spectra is a peak at the (pi,pi) reciprocal lattice position and centered at 41 meV. The behavior of the peak is shown to change dramatically at T(c), so that the magnetic excitations...

Spectra theory for nuclei with closed shells (1962)

International Nuclear Information System (INIS)

Gillet, V.

1962-01-01

A unified theory for the spectra of nuclei with closed shells, based on the elementary particle-hole excitation of these systems, is applied to a study of carbon-12, oxygen-16 and calcium-40. Two approximations are made. The first consists in diagonalizing the residual two-body interaction in a limited sub-space having one particle and one hole configurations. Its validity depends on the high energy necessary for exciting a particle-hole pair. The second approximation consists in re-summing the infinite sub-series of the particle-hole diagrams. It is equivalent to the Hartree-Fock method depending on the time, or to Quasi-Boson method. Its domain of validity in the nuclear case is not thoroughly Understood. The summed diagrams are preponderant at the high density limit, when the nuclear density is about unity. The violation of the Pauli principle in this approximation is only justified if the number of excited pairs is small with respect to the number of particle states available; in the case of light nuclei the degeneracies of the shells are small. Nevertheless this approximation, which postulates the existence of an average nuclear field, varying slowly with time with respect to the nucleons periods has the merit of being self-consistent, of giving orthogonal proper states in the non-physical state of the mass centre, and of improving the calculation of the summation rules. In order to determine and to limit the role of phenomenology in the results obtained using these approximations, a maximum amount of experimental data is calculated. By applying method of least squares to fourteen energy levels of oxygen and carbon, the region of optimum agreement in the effective interaction parameters is determined. This region is in part a function of the numerical approximations made. We hope that it will keep its significance when the theory is improved. It is compatible with certain characteristics of free nucleon-nucleon scattering. The present research favours the

Pionic modes of excitation in continuum from the (p,n) reaction

International Nuclear Information System (INIS)

Izumoto, T.; Ichimura, M.; Ko, C.M.; Siemens, P.J.; Texas A and M Univ., College Station

1982-01-01

The continuum spectra of the 90 Zr(p, n) reaction at Esub(p) = 200 MeV are studied in the DWBA up to high excitation hω(approx. <= 60 MeV) and large momentum transfer q(approx. <= 3 μsub(π)). The response function is obtained in a local-density approximation, taking into account p-h and Δ-h excitations and the short-range correlation g' between them. For small g' approx. <= 0.5, a broad bump due to the opalescence effect can be seen in the calculated cross section at rather low excitation and near q approx. equal to 2.2 μsub(π). However, for larger g', this effect is suppressed, and a broader bump in cross section is located at higher excitation. (orig.)

Photoionization dynamics of excited molecular states

International Nuclear Information System (INIS)

Dehmer, J.L.; O'Halloran, M.A.; Tomkins, F.S.; Dehmer, P.M.; Pratt, S.T.

1987-01-01

Resonance Enhanced Multiphoton Ionization (REMPI) utilizes tunable dye lasers to ionize an atom or molecule by first preparing an excited state by multiphoton absorption and then ionizing that state before it can decay. This process is highly selective with respect to both the initial and resonant intermediate states of the target, and it can be extremely sensitive. In addition, the products of the REMPI process can be detected as needed by analyzing the resulting electrons, ions, fluorescence, or by additional REMPI. This points to a number of opportunities for exploring excited state physics and chemistry at the quantum-state-specific level. Here we will first give a brief overview of the large variety of experimental approaches to excited state phenomena made possible by REMPI. Then we will examine in more detail, recent studies of the three photon resonant, four photon (3 + 1) ionization of H 2 via the C 'PI/sup u/ state. Strong non-Franck-Condon behavior in the photoelectron spectra of this nominally simple Rydberg state has led to the examination of a variety of dynamical mechanisms. Of these, the role of doubly excited autoionizing states now seems decisive. Progress on photoelectron studies of autoionizing states in H 2 , excited in a (2 + 1) REMPI process via the E, F 1 Σ/sub g/ + will also be briefly discussed. 26 refs., 7 figs

Effects of ligand substitution on the excited state dynamics of the Ru(dcbpy)(CO) 2I 2 complex

Science.gov (United States)

Lehtovuori, Viivi; Kallioinen, Jani; Myllyperkiö, Pasi; Haukka, Matti; Korppi-Tommola, Jouko

2003-11-01

Spectroscopic evidence suggest [PCCP 3 (2001) 1992] that illumination with visible light of the [ trans-I-Ru(dcbpy)(CO) 2I 2] (dcbpy= 4,4 '-dicarboxy-2,2 '-bipyridine) complex in solution induces dissociation of a CO group followed by reorganization of the ligands and attachment of a solvent molecule. In the present study, we report results on excited state dynamics of this ruthenium complex and its photoproduct. Femtosecond transient absorption measurements reveal dominance of excited state absorption of the reactant and the photoproduct [ cis-I-Ru(dcbpy)(CO)(Sol)I 2] (Sol=ethanol or acetonitrile) in the visible spectral region. The time-resolved measurements for the reactant at 77 K indicate interligand charge transfer from mixed Ru-I states to empty dcbpy orbitals. For the photoproduct, no such transfer was observed. In both complexes recovery from the lowest energy excited triplet state to the ground state occurs via two channels: radiative relaxation and a parallel barrier controlled non-radiative relaxation. The barrier is much higher in the reactant (about 850 cm -1) than in the product. A combination of DFT and ZINDO/CI calculations was used to estimate excited singlet and triplet spectra of the reactant and the product molecules. Calculated singlet-triplet difference spectra qualitatively match the observed transient spectra 500 fs after excitation supporting the idea that observed excited state relaxation occurs from the triplet states in both complexes.

Effects of ligand substitution on the excited state dynamics of the Ru(dcbpy)(CO)2I2 complex

International Nuclear Information System (INIS)

Lehtovuori, Viivi; Kallioinen, Jani; Myllyperkioe, Pasi; Haukka, Matti; Korppi-Tommola, Jouko

2003-01-01

Spectroscopic evidence suggest [PCCP 3 (2001) 1992] that illumination with visible light of the [trans-I-Ru(dcbpy)(CO) 2 I 2 ] (dcbpy4,4 ' -dicarboxy-2,2 ' -bipyridine) complex in solution induces dissociation of a CO group followed by reorganization of the ligands and attachment of a solvent molecule. In the present study, we report results on excited state dynamics of this ruthenium complex and its photoproduct. Femtosecond transient absorption measurements reveal dominance of excited state absorption of the reactant and the photoproduct [cis-I-Ru(dcbpy)(CO)(Sol)I 2 ] (Sol=ethanol or acetonitrile) in the visible spectral region. The time-resolved measurements for the reactant at 77 K indicate interligand charge transfer from mixed Ru-I states to empty dcbpy orbitals. For the photoproduct, no such transfer was observed. In both complexes recovery from the lowest energy excited triplet state to the ground state occurs via two channels: radiative relaxation and a parallel barrier controlled non-radiative relaxation. The barrier is much higher in the reactant (about 850 cm -1 ) than in the product. A combination of DFT and ZINDO/CI calculations was used to estimate excited singlet and triplet spectra of the reactant and the product molecules. Calculated singlet-triplet difference spectra qualitatively match the observed transient spectra 500 fs after excitation supporting the idea that observed excited state relaxation occurs from the triplet states in both complexes

Broad-Band Analysis of Polar Motion Excitations

Science.gov (United States)

Chen, J.

2016-12-01

Earth rotational changes, i.e. polar motion and length-of-day (LOD), are driven by two types of geophysical excitations: 1) mass redistribution within the Earth system, and 2) angular momentum exchange between the solid Earth (more precisely the crust) and other components of the Earth system. Accurate quantification of Earth rotational excitations has been difficult, due to the lack of global-scale observations of mass redistribution and angular momentum exchange. The over 14-years time-variable gravity measurements from the Gravity Recovery and Climate Experiment (GRACE) have provided a unique means for quantifying Earth rotational excitations from mass redistribution in different components of the climate system. Comparisons between observed Earth rotational changes and geophysical excitations estimated from GRACE, satellite laser ranging (SLR) and climate models show that GRACE-derived excitations agree remarkably well with polar motion observations over a broad-band of frequencies. GRACE estimates also suggest that accelerated polar region ice melting in recent years and corresponding sea level rise have played an important role in driving long-term polar motion as well. With several estimates of polar motion excitations, it is possible to estimate broad-band noise variance and noise power spectra in each, given reasonable assumptions about noise independence. Results based on GRACE CSR RL05 solutions clearly outperform other estimates with the lowest noise levels over a broad band of frequencies.

Collective excitations and supersolid behavior of bosonic atoms inside two crossed optical cavities

Science.gov (United States)

Lang, J.; Piazza, F.; Zwerger, W.

2017-12-01

We discuss the nature of symmetry breaking and the associated collective excitations for a system of bosons coupled to the electromagnetic field of two optical cavities. For the specific configuration realized in a recent experiment at ETH [1, 2], we show that, in absence of direct intercavity scattering and for parameters chosen such that the atoms couple symmetrically to both cavities, the system possesses an approximate U(1) symmetry which holds asymptotically for vanishing cavity field intensity. It corresponds to the invariance with respect to redistributing the total intensity I={I}1+{I}2 between the two cavities. The spontaneous breaking of this symmetry gives rise to a broken continuous translation-invariance for the atoms, creating a supersolid-like order in the presence of a Bose-Einstein condensate. In particular, we show that atom-mediated scattering between the two cavities, which favors the state with equal light intensities {I}1={I}2 and reduces the symmetry to {{Z}}2\\otimes {{Z}}2, gives rise to a finite value ˜ \\sqrt{I} of the effective Goldstone mass. For strong atom driving, this low energy mode is clearly separated from an effective Higgs excitation associated with changes of the total intensity I. In addition, we compute the spectral distribution of the cavity light field and show that both the Higgs and Goldstone mode acquire a finite lifetime due to Landau damping at non-zero temperature.

Surface and bulk excitations in condensed matter

International Nuclear Information System (INIS)

Ritchie, R.H.

1988-01-01

In this lecture collective and single-particle electron excitations of solids will be discussed with emphasis on the properties of metallic and semiconducting materials. However, some of the general properties of long-wavelength collective modes to be discussed are valid for insulators as well, and some considerations apply to nuclear excitations such as optical or acoustical phonons, dipolar plasmons, etc. The concept of elementary excitations in solids, pioneered by Bohm and Pines almost 4 decades ago, has proved to be extremely useful in understanding the properties of systems of many particles, especially in respect to the response to the action of external probes. 32 refs., 12 figs

Inhibition of collective spontaneous decay and superradiance in an ensemble of sufficiently high quantity of excited identical atoms

International Nuclear Information System (INIS)

Basharov, A.M.

2011-01-01

New effects of suppression of the collective spontaneous emission and superradiance have been predicted. At a certain number N of ensemble atoms, the Stark interaction with a vacuum field was shown as being high enough for the excited N-atom ensemble to be stabilized with respect to the collective decay. The result was derived analytically as a consequence of applying the quantum stochastic differential equations to the description of the atomic dynamics in vacuum, where the Stark interaction operator is expressed in terms of the quantum Poisson process. -- Highlights: → Enhancement of the Stark interaction of N atoms ensemble with vacuum, with N rising. → Representation of the Stark interaction as the quantum Poisson process. → Collective spontaneous decay and superradiance under the strong Stark interaction. → Inhibition of superradiance at a certain number of ensemble atoms. → Analysis of superradiance experiments in terms of inhibition of collective decay.

Fluorescence of Bacteria, Pollens, and Naturally Occurring Airborne Particles: Excitation/Emission Spectra

Science.gov (United States)

2009-02-01

35 Figure 29. EEM spectra of kaolin particles, dry...Warrington, PA. Glass beads were obtained from Peirce Chemical Co., Rockford, IL. Kaolin particles were obtained from Particle Information Services...solution concentration of 1 mg/ml. The samples were vortexed and pipetted vigorously to disperse aggregates. Stock bacteria solutions were diluted to a

Collective excitations at low energy: microscopic study of rotation, vibration and their coupling in even-even nuclei; Excitations collectives a basse energie: Etude microscopique de la rotation, de la vibration et de leur couplage dans les noyaux pair-pairs

Energy Technology Data Exchange (ETDEWEB)

Deloncle, I.

1989-10-23

In this study we have built the quadrupolar collective Bohr Hamiltonian in a purely microscopic way by using an approximation of the time-dependant Hartree-Fock adiabatic approach. The purpose of this work was to obtain a quantitative description of the collective properties in the low energy range of intermediate and heavy nuclei by using a 2-body effective interaction of Skyrme-type. We consider low energy processes as dynamic regimes in which the collective movement is adiabatic when compared with modes associated to individual freedom. In the N-body solution we propose, we have assumed that: -) a mean field exists at any moment, -) some collective variables exist whose temporal variations include all the dynamics, and -) the collective movement is adiabatic. This work is a microscopic formulation and an efficient approach to resolve the Bohr and Mottelson unified model. Low energy spectra have been computed for 4 nuclei: Ge{sup 74}, Se{sup 76}, Cd{sup 110} and Pt{sup 186} and they agree well with experimental data.

Broadband excitation by chirped pulses: application to single electron spins in diamond

International Nuclear Information System (INIS)

Niemeyer, I; Shim, J H; Zhang, J; Suter, D; Taniguchi, T; Teraji, T; Abe, H; Onoda, S; Yamamoto, T; Ohshima, T; Isoya, J; Jelezko, F

2013-01-01

Pulsed excitation of broad spectra requires very high field strengths if monochromatic pulses are used. If the corresponding high power is not available or not desirable, the pulses can be replaced by suitable low-power pulses that distribute the power over a wider bandwidth. As a simple case, we use microwave pulses with a linear frequency chirp. We use these pulses to excite spectra of single nitrogen–vacancy centres in a Ramsey experiment. Compared to the conventional Ramsey experiment, our approach increases the bandwidth by at least an order of magnitude. Compared to the conventional continuous wave-ODMR experiment, the chirped Ramsey experiment does not suffer from power broadening and increases the resolution by at least an order of magnitude. As an additional benefit, the chirped Ramsey spectrum contains not only ‘allowed’ single quantum transitions, but also ‘forbidden’ zero- and double quantum transitions, which can be distinguished from the single quantum transitions by phase-shifting the readout pulse with respect to the excitation pulse or by variation of the external magnetic field strength. (paper)

Splitting of the luminescent excited state of the uranyl ion

International Nuclear Information System (INIS)

Flint, C.D.; Sharma, P.; Tanner, P.A.

1982-01-01

The luminescence spectra of some uranyl compounds has been studied. It has been proposed that the splitting of the luminescent excited state of the uranyl ion is due to a descent in symmetry experienced by the uranyl ion when it is placed in a crystal field. In recent years there has been developed a highly successful model of the electronic structure of the uranyl ion. In this paper the authors use this model to interpret the luminescence spectra of a variety of uranyl compounds

Probing the KII 3p54p fine structure by photoelectron spectroscopy of laser-excited potassium

International Nuclear Information System (INIS)

Meyer, M; Cubaynes, D; Wuilleumier, F J; Heinecke, E; Richter, T; Zimmermann, P; Strakhova, S I; Grum-Grzhimailo, A N

2006-01-01

Photoelectron spectra of atomic potassium excited by laser optical pumping into the 3p 6 4p 2 P 1/2 and 2 P 3/2 states are measured with high-energy resolution. The relative intensities of the 3p 5 4p fine-structure lines depend strongly on the initial excitation to one of the 4p spin-orbit components. Similar to the case of sodium, dynamically and quasiforbidden transitions are observed in the photoelectron spectra of potassium. The theoretical predictions of the generalized geometrical model are in excellent agreement with the experimental data. (letter to the editor)

Effect of relaxation and decay of a charge transfer shakeup satellite on Auger-electron spectroscopy spectra and Auger-photoelectron coincidence spectroscopy spectra of adsorbates

International Nuclear Information System (INIS)

Ohno, Masahide

2008-01-01

An electron excited to an unoccupied part of adsorbate-substrate hybrid states in a chemisorbed molecule by a resonant core electron excitation or charge transfer (CT) shakeup may delocalize on time scale of core-hole decay so that the excited core-hole state relaxes partly or completely to a fully relaxed one. The Auger decay of the fully relaxed core-hole state via the relaxation of the excited one introduces an additional feature in the resonant Auger-electron spectroscopy (RAES) spectrum and the AES spectrum. However, the additional feature in the RAES spectrum is a normal AES spectrum by decay of the fully relaxed core-hole state, whereas the one in the AES spectrum is the AES spectrum by decay of the fully relaxed core-hole state broadened by the photoelectron spectroscopy (PES) CT shakeup satellite weighted by the branching ratio of the relaxation width. The discrepancies between the AES spectrum measured at high above the ionization threshold and the additional feature in the RAES spectrum consist of the symmetric-like part by the decay of the fully relaxed core-hole state via the relaxation of the CT shakeup state and the asymmetric part by the direct decay of the shakeup states. The asymmetric part increases with a decrease in the hybridization strength. This explains the variation with the hybridization strength in the discrepancies between the RAES spectra and the AES spectra of chemisorbed molecules such as CO/Ni, CO/Cu and CO/Ag. A comparison of the singles PES spectrum with the one measured in coincidence with the AES main line of a selected kinetic energy (KE) provides the delocalization rate of the excited electron in the CT shakeup state as a function of photoelectron KE. The coincidence measurement to obtain the partial singles PES spectrum is discussed

Photoluminescence and absorption spectra of various common TL phosphors - interpretation of TL mechanisms

International Nuclear Information System (INIS)

Nagpal, J.S.

1980-01-01

Photoluminescence and absorption spectra of TL phosphors TLD-100, CaF 2 :Dy, CaSO 4 :Dy(0.05%wt), CaSO 4 :Tm(0.05%wt) and Mg 2 SiO 4 :Tb have been measured. The absorption spectra are typical of RE 2+ in rare earth doped irradiated phosphors. On heating RE 2+ yields RE 3+ and emission from the excited states of RE 3+ is observed. (author)

Theoretical studies of atomic and quasiatomic excitations by electron and ion impact

International Nuclear Information System (INIS)

Kam, K.F.

1999-09-01

Electron emission from ion induced excitations of Ca, Sc, Ti and V metal surfaces and from electron impact on transition metal oxides CoO and TiO 2 has been studied in this thesis. Both the autoionising emission from sputtered atoms and the 3p→3d and 3s→3d excitations in the oxides reveal strong atomic features. The work has involved explaining these spectra in an atomic approach, via the use of atomic structure calculations, cross section studies and empirical/semi-empirical analyses. The other aspect of this work involves extension of current theories of electron-atom scattering in the high electron energy impact regime. Overall it is shown that much can be learned about some solid-state spectra by relating them to atomic phenomena. (author)

Collective dynamics in dense Hg vapour

International Nuclear Information System (INIS)

Ishikawa, D; Inui, M; Matsuda, K; Tamura, K; Baron, A Q R; Tsutsui, S; Tanaka, Y; Ishikawa, T

2004-01-01

The dynamic structure factor, S(Q,ο), of dense Hg vapour has been measured by high resolution inelastic x-ray scattering for densities of 3.0, 2.1 and 1.0 g cm -3 corresponding to 0.52, 0.36 and 0.17 times the critical density, respectively, and for momentum transfers between 2.0 and 48 nm -1 . Analysis of the longitudinal current-current correlation function in the framework of generalized hydrodynamics reveals that the frequencies of the collective excitations increase faster with Q than estimated from the macroscopic speed of sound. The ratios of the frequencies were found to be 1.27 at 3.0 g cm -3 , 1.12 at 2.1 g cm -3 and 1.10 at 1.0 g cm -3 . The sound velocity obtained from the present experiments is well reproduced by a wavenumber dependent adiabatic sound velocity, which means that the collective modes remain in the spectra of dense Hg vapour. (letter to the editor)

Evidence for Excitation of Polar Motion by Fortnightly Ocean Tides

Science.gov (United States)

Gross, Richard S.; Hamdan, Kamal H.; Boggs, Dale H.

1996-01-01

The second-degree zonal tide raising potential, which is responsible for tidal changes in the Earth's rotation rate and length-of-day, is symmetric about the polar axis and hence can excite the Earth's polar motion only through its action upon nonaxisymmetric features of the Earth such as the oceans. Ocean tidal excitation of polar motion in the diurnal and semidiurnal tidal bands has been previously detected and examined. Here, the detection of ocean tidal excitation of polar motion in the long-period tidal band, specifically at the Mf' (13.63-day) and Mf (13.66-day) tidal frequencies, is reported. Spectra of the SPACE94 polar motion excitation series exhibit peaks at the prograde and retrograde fortnightly tidal periods. After removing effects of atmospheric wind and pressure changes, an empirical model for the effect of the fortnightly ocean tides upon polar motion excitation is obtained by least-squares fitting periodic terms at the Mf and Mf' tidal frequencies to the residual polar motion excitation series. The resulting empirical model is then compared with the predictions of two hydrodynamic ocean tide models.

Magnetic excitations in thulium metal

International Nuclear Information System (INIS)

Fernandez-Baca, J.A.; Nicklow, R.M.; Rhyne, J.J.

1989-01-01

We have performed inelastic neutron scattering measurements on a single crystal specimen of Tm at wavevectors rvec κ = (1,1, ζ) and (0,0,2 + ζ) (ζ = 0, hor-ellipsis, 1). Most of the measurements have been made at T = 5K, where Tm exhibits a seven layer ferrimagnetic-antiphase-domain structure (four moments up, parallel to the c-axis, followed by three moments down). At this temperature the excitation spectra consist of three peaks. The two lower energy excitations have been identified as originating from magneto-vibrational scattering from the TA phonon, while the higher energy excitation is magnetic and exhibits only a weak dispersion (between 8.3 and 9.6 meV). At T = 50K, a temperature at which the system exhibits a c-axis sinusoidally modulated structure, the magnetic mode shows significant softening and broadening. The magneto-vibrational scattering vanishes above the Neel temperature (T N = 58.5K) while the magnetic mode persists at least up to T = 70K. These results suggest that the Hamiltonian in this system is dominated by the crystal-field-anistropy energy, and that the exchange interaction is relatively weak. 9 refs., 2 figs

Fluorescence spectra of bithiophene and terthiophene single crystals and of their isolated molecules in cyclodextrin

International Nuclear Information System (INIS)

Gombojav, Bold; Namsrai, Nasanbat; Yoshinari, Takehisa; Nagasaka, Shin-ichiro; Itoh, Hiroki; Koyama, Kiyohito

2004-01-01

In order to examine the effect of subsumption space of β- and γ-cyclodextrin (CyD) on the photophysics of oligothiophenes, 2, 2'-bithiophene (BT) and 2, 2': 5', 2''-terthiophene (TT), the fluorescence spectra were compared with those of the single crystals (SC) at 15, 77 K and room temperature (RT). Both the numbers of BT included in β- and γ-CyD are twin (BT 2 ). The numbers of TT included in β- and γ-CyD are unit (TT 1 ) and twin (TT 2 ), respectively. Electronic excitation of BT encapsulated in β- and γ-CyD gives similar fluorescence spectra, showing bathochromic shift compared with that of BT single crystal, (BT) SC . The observation that the fluorescence spectra of encapsulated BT 2 are similar to the spectra of its THF solution suggests the configuration of BT 2 in β- and γ-CyD should be face-to-face configuration (BT 2 ) parrallel . On the contrary, TT in β- and in γ-CyD afford quite different fluorescence spectra. Encapsulated TT in β-CyD exhibits the hypsochromic shift of fluorescence maxima compared to that of TT single crystal, (TT) SC . While the bathochromically shifted fluorescence spectra of TT 2 in γ-CyD is also ascribed to the face-to-face configuration (TT 2 ) parallel as in the case of BT 2 in γ-CyD. Fluorescence spectra show the excited ground state complex of BT 2 and TT 2 in γ-CyD

A rapid excitation-emission matrix fluorometer utilizing supercontinuum white light and acousto-optic tunable filters

Energy Technology Data Exchange (ETDEWEB)

Wang, Wenbo [Imaging Unit, Integrative Oncology Department, BC Cancer Agency Research Center, 675 West 10th Avenue, Vancouver, British Columbia V5Z 1L3 (Canada); Department of Dermatology and Skin Science, University of British Columbia, 835 West 10th Avenue, Vancouver, British Columbia V5Z 4E8 (Canada); Department of Biomedical Engineering, University of British Columbia, KAIS 5500, 2332 Main Mall, Vancouver, British Columbia V6T 1Z4 (Canada); Wu, Zhenguo; Zhao, Jianhua; Lui, Harvey; Zeng, Haishan, E-mail: hzeng@bccrc.ca [Imaging Unit, Integrative Oncology Department, BC Cancer Agency Research Center, 675 West 10th Avenue, Vancouver, British Columbia V5Z 1L3 (Canada); Department of Dermatology and Skin Science, University of British Columbia, 835 West 10th Avenue, Vancouver, British Columbia V5Z 4E8 (Canada)

2016-06-15

Scanning speed and coupling efficiency of excitation light to optic fibres are two major technical challenges that limit the potential of fluorescence excitation-emission matrix (EEM) spectrometer for on-line applications and in vivo studies. In this paper, a novel EEM system, utilizing a supercontinuum white light source and acousto-optic tunable filters (AOTFs), was introduced and evaluated. The supercontinuum white light, generated by pumping a nonlinear photonic crystal fiber with an 800 nm femtosecond laser, was efficiently coupled into a bifurcated optic fiber bundle. High speed EEM spectral scanning was achieved using AOTFs both for selecting excitation wavelength and scanning emission spectra. Using calibration lamps (neon and mercury argon), wavelength deviations were determined to vary from 0.18 nm to −0.70 nm within the spectral range of 500–850 nm. Spectral bandwidth for filtered excitation light broadened by twofold compared to that measured with monochromatic light between 650 nm and 750 nm. The EEM spectra for methanol solutions of laser dyes were successfully acquired with this rapid fluorometer using an integration time of 5 s.

A rapid excitation-emission matrix fluorometer utilizing supercontinuum white light and acousto-optic tunable filters

International Nuclear Information System (INIS)

Wang, Wenbo; Wu, Zhenguo; Zhao, Jianhua; Lui, Harvey; Zeng, Haishan

2016-01-01

Scanning speed and coupling efficiency of excitation light to optic fibres are two major technical challenges that limit the potential of fluorescence excitation-emission matrix (EEM) spectrometer for on-line applications and in vivo studies. In this paper, a novel EEM system, utilizing a supercontinuum white light source and acousto-optic tunable filters (AOTFs), was introduced and evaluated. The supercontinuum white light, generated by pumping a nonlinear photonic crystal fiber with an 800 nm femtosecond laser, was efficiently coupled into a bifurcated optic fiber bundle. High speed EEM spectral scanning was achieved using AOTFs both for selecting excitation wavelength and scanning emission spectra. Using calibration lamps (neon and mercury argon), wavelength deviations were determined to vary from 0.18 nm to −0.70 nm within the spectral range of 500–850 nm. Spectral bandwidth for filtered excitation light broadened by twofold compared to that measured with monochromatic light between 650 nm and 750 nm. The EEM spectra for methanol solutions of laser dyes were successfully acquired with this rapid fluorometer using an integration time of 5 s.

The generalized sturmian method for calculating spectra of atoms and ions

DEFF Research Database (Denmark)

Avery, James Emil; Avery, John Scales

2003-01-01

The properties of generalized Sturmian basis sets are reviewed, and functions of this type are used to perform direct configuration interaction calculations on the spectra of atoms and ions. Singlet excited states calculated in this way show good agreement with experimentally measured spectra. When...... the generalized Sturmian method is applied to atoms, the configurations are constructed from hydrogenlike atomic orbitals with an effective charge which is characteristic of the configuration. Thus, orthonormality between the orbitals of different configurations cannot be assumed, and the generalized Slater...

Equilibrium Structures and Absorption Spectra for SixOy Molecular Clusters using Density Functional Theory

Science.gov (United States)

2017-05-05

Naval Research Laboratory Washington, DC 20375-5320 NRL/MR/6390--17-9724 Equilibrium Structures and Absorption Spectra for SixOy Molecular Clusters...TELEPHONE NUMBER (include area code) b. ABSTRACT c. THIS PAGE 18. NUMBER OF PAGES 17. LIMITATION OF ABSTRACT Equilibrium Structures and Absorption...and electronic excited-state absorption spectra for eqilibrium structures of SixOy molecular clusters using density function theory (DFT) and time

Excitation of the Roper resonance and study of higher baryon resonances

International Nuclear Information System (INIS)

Morsch, H.P.; Forschungszentrum Juelich GmbH

1992-01-01

The region of the P 11 resonance N(1440) is investigated in inelastic α-scattering on hydrogen using alpha-particles from Saturne with a beam momentum of 7 GeV/c. In the missing mass spectra of the scattered α-particles two effects are observed, excitation of the projectile, preferentially excited to the Δ-resonance, and excitation of the Roper resonance. The large differential cross sections indicate a structure of a compression mode. From this the compressibility of the nucleon K N may be extracted. The Roper resonance excitation corresponds to a surface mode which may be related to an oscillation of the meson cloud. The other monopole mode which corresponds to a vibration of the valence quarks should lie at about 800 MeV of excitation or above. This is the region of the P 11 (1710 MeV) resonance. Therefore experiments are important to measure the monopole strength in this energy region. Another interesting aspect is the scalar polarizability which can be extracted from inelastic dipole excitations (squeezing modes) as excitation energies above 500 MeV

Collective excitations in the Penson-Kolb model: A generalized random-phase-approximation study

International Nuclear Information System (INIS)

Roy, G.K.; Bhattacharyya, B.

1997-01-01

The evolution of the superconducting ground state of the half-filled Penson-Kolb model is examined as a function of the coupling constant using a mean-field approach and the generalized random phase approximation (RPA) in two and three dimensions. On-site singlet pairs hop to compete against single-particle motion in this model, giving the coupling constant a strong momentum dependence. There is a pronounced bandwidth enhancement effect that converges smoothly to a finite value in the strong-coupling (Bose) regime. The low-lying collective excitations evaluated in generalized RPA show a linear dispersion and a gradual crossover from the weak-coupling (BCS) limit to the Bose regime; the mode velocity increases monotonically in sharp contrast to the attractive Hubbard model. Analytical results are derived in the asymptotic limits. copyright 1997 The American Physical Society

New Fe i Level Energies and Line Identifications from Stellar Spectra. II. Initial Results from New Ultraviolet Spectra of Metal-poor Stars

Energy Technology Data Exchange (ETDEWEB)

Peterson, Ruth C. [SETI Institute and Astrophysical Advances, 607 Marion Place, Palo Alto, CA 94301 (United States); Kurucz, Robert L. [Harvard-Smithsonian Center for Astrophysics, 60 Garden Street, Cambridge, MA 02138 (United States); Ayres, Thomas R., E-mail: peterson@ucolick.org [Center for Astrophysics and Space Astronomy, University of Colorado, 389 UCB, Boulder, CO 80309-0389 (United States)

2017-04-01

The Fe i spectrum is critical to many areas of astrophysics, yet many of the high-lying levels remain uncharacterized. To remedy this deficiency, Peterson and Kurucz identified Fe i lines in archival ultraviolet and optical spectra of metal-poor stars, whose warm temperatures favor moderate Fe i excitation. Sixty-five new levels were recovered, with 1500 detectable lines, including several bound levels in the ionization continuum of Fe i. Here, we extend the previous work by identifying 59 additional levels, with 1400 detectable lines, by incorporating new high-resolution UV spectra of warm metal-poor stars recently obtained by the Hubble Space Telescope Imaging Spectrograph. We provide gf values for these transitions, both computed as well as adjusted to fit the stellar spectra. We also expand our spectral calculations to the infrared, confirming three levels by matching high-quality spectra of the Sun and two cool stars in the H -band. The predicted gf values suggest that an additional 3700 Fe i lines should be detectable in existing solar infrared spectra. Extending the empirical line identification work to the infrared would help confirm additional Fe i levels, as would new high-resolution UV spectra of metal-poor turnoff stars below 1900 Å.

A truncated spherical shell model for nuclear collective excitations: Applications to the odd-mass systems, neutron-proton systems, and other topics

International Nuclear Information System (INIS)

Wu, Hua.

1989-01-01

One of the most elusive quantum system in nature is the nucleus, which is a strongly interacting many body system. In the hadronic (a la neutrons and protons) phase, the primary concern of this thesis, the nucleus' single particle excitations are intertwined with their various collective excitations. Although the underpinning of the nucleus is the spherical shell model, it is rendered powerless without a severe, but intelligent truncation of the infinite Hilbert space. The recently proposed Fermion Dynamical Symmetry Model (FDSM) is precisely such a truncation scheme and in which a symmetry-dictated truncation scheme is introduced in nuclear physics for the first time. In this thesis, extensions and explorations of the FDSM are made to specifically study the odd mass (where the most intricate mixing of the single particle and the collective excitations are observed) and the neutron-proton systems. In particular, the author finds that the previously successful phenomenological particle-rotor-model of the Copenhagen school can now be well understood microscopically via the FDSM. Furthermore, the well known Coriolis attenuation and variable moment of inertia effects are naturally understood from the model as well. A computer code FDUO was written by one of us to study, for the first time, the numerical implications of the FDSM. Several collective modes were found even when the system does not admit a group chain description. In addition, the code is most suitable to study the connection between level statistical behavior (a at Gaussian Orthogonal Ensemble) and dynamical symmetry. It is found that there exist critical region of the interaction parameter space were the system behaves chaotically. This information is certainly crucial to understanding quantum chaotic behavior

Ultrafast single-molecule photonics: Excited state dynamics in coherently coupled complexes

International Nuclear Information System (INIS)

Hernando, Jordi; Hoogenboom, Jacob; Dijk, Erik van; Garcia-Parajo, Maria; Hulst, Niek F. van

2008-01-01

We present a single-molecule study on femtosecond dynamics in multichromophoric systems, combining fs pump-probe, emission-spectra and fluorescence-lifetime analysis. The ultrafast fs approach gives direct information on the initial exciton dynamics after excitation. The lifetime data show superradiance, a direct measure for the extent of the coherent coupling and static disorder. The spectra finally reveal the role of exciton-phonon coupling. At the single-molecule level a wide range of exciton delocalization lengths and energy redistribution times is revealed

Ultrafast single-molecule photonics: Excited state dynamics in coherently coupled complexes

Energy Technology Data Exchange (ETDEWEB)

Hernando, Jordi [Dept. de Quimica, Universitat Autonoma Barcelona, 08193 Cerdanyola del Valles (Spain); Hoogenboom, Jacob [ICFO-Institut de Ciencies Fotoniques, Mediterranean Technology Park, 08860 Castelldefels, Barcelona (Spain); Dijk, Erik van [Applied Optics Group, MESA Institute for Nanotechnology, University of Twente, 7500AE Enschede (Netherlands); Garcia-Parajo, Maria [IBEC-Institute of BioEngineering of Catalunya, 08028 Barcelona (Spain); ICREA-Institucio Catalana de Recerca i Estudis Avancats, 08015 Barcelona (Spain); Hulst, Niek F. van [ICFO-Institut de Ciencies Fotoniques, Mediterranean Technology Park, 08860 Castelldefels, Barcelona (Spain) and ICREA-Institucio Catalana de Recerca i Estudis Avancats, 08015 Barcelona (Spain)], E-mail: Niek.vanHulst@ICFO.es

2008-05-15

We present a single-molecule study on femtosecond dynamics in multichromophoric systems, combining fs pump-probe, emission-spectra and fluorescence-lifetime analysis. The ultrafast fs approach gives direct information on the initial exciton dynamics after excitation. The lifetime data show superradiance, a direct measure for the extent of the coherent coupling and static disorder. The spectra finally reveal the role of exciton-phonon coupling. At the single-molecule level a wide range of exciton delocalization lengths and energy redistribution times is revealed.

Absorption spectra for collinear (nonreactive) H3: Comparison between quantal and classical calculations

International Nuclear Information System (INIS)

Engel, V.; Bacic, Z.; Schinke, R.; Shapiro, M.

1985-01-01

Absorption spectra for the collinear (nonreactive) H+H 2 →H/sup number-sign/ 3 →H+H 2 are calculated quantum mechanically, using the Siegbahn--Liu--Truhlar--Horowitz (SLTH) ab initio potential and a model H( 3 surface as the ground and excited H 3 surface, respectively. They are compared to classical spectra previously computed by Mayne, Poirier, and Polanyi using the same potential energy surfaces [J. Chem. Phys. 80, 4025 (1984)]. The spectra are calculated at several collision energies and for both H+H 2 (v = 0) and H+H 2 (v = 1). The quantal and classical spectra are shown to agree with respect to basic features and trends. Nevertheless, the two sets of spectra differ considerably in their overall appearance because of some purely quantum aspects of the H+H 2 system

Effect of polariton propagation on spectra of SRS amplification and CARS from polaritons

International Nuclear Information System (INIS)

Orlov, Sergei N; Polivanov, Yurii N

2001-01-01

The properties of k spectra of SRS amplification and CARS from polaritons caused by 'running out' of polaritons from the volume of their interaction with incident light beams are theoretically analysed. It is shown that the shape and width of the spectra depend on the relation between the size of the overlap region of exciting waves in a crystal along the direction of polariton propagation and the mean free path of polaritons. The conditions are found under which the widths of SRS amplification and CARS spectra give information on the polariton decay. (nonlinear optical phenomena and devices)

Excitations and phase transitions in random anti-ferromagnets

International Nuclear Information System (INIS)

Cowley, R.A.; Birgeneau, R.J.; Shirane, G.

1979-01-01

Neutron scattering techniques can be used to study the magnetic excitations and phase transitions in the randomly mixed transition metal fluorides. The results for the excitations of samples with two different types of magnetic ions show two bands of excitations; each associated with excitations propagating largely on one type of ion. In the diluted salts the spectra show a complex line shape and greater widths. These results are in good accord with computer simulations showing that linear spin wave theory can be used, but have not been described satisfactorily using the coherent potential approximation. The phase transitions in these materials are always smeared, but it is difficult to ascertain if this smearing is due to macroscopic fluctuations in the concentration or of an intrinsic origin. Studies of these systems close to the percolation point have shown that the thermal disorder is associated with the one-dimensional weak links of the large clusters. Currently theory and experiment are in accord for the two-dimensional Ising system but features are still not understood in Heisenberg systems in both two and three dimensions

Contribution to the analysis of light elements using x fluorescence excited by radio-elements

International Nuclear Information System (INIS)

Robert, A.

1964-01-01

In order to study the possibilities of using radioactive sources for the X-fluorescence analysis of light elements, the principle is given, after a brief description of X-fluorescence, of the excitation of this phenomenon by X, β and α emission from radio-elements. The operation and use of the proportional gas counter for X-ray detection is described. A device has been studied for analysing the elements of the 2. and 3. periods of the Mendeleev table. It makes it possible to excite the fluorescence with a radioactive source emitting X-rays or a particles; the X-ray fluorescence penetrates into a window-less proportional counter, this being made possible by the use of an auxiliary electric field in the neighbourhood of the sample. The gas detection pressure leading to the maximum detection yield is given. The spectra are given for the K α lines of 3. period elements excited by 55 Fe, 3 H/Zr and 210 Po sources; for the 2. period the K α spectra of carbon and of fluorine excited by the α particles of 210 Po. (author) [fr

Energy spectra of odd nuclei in the generalized model

Directory of Open Access Journals (Sweden)

I. O. Korzh

2015-04-01

Full Text Available Based on the generalized nuclear model, energy spectra of the odd nuclei of such elements as 25Mg, 41K, and 65Cu are determined, and the structure of wave functions of these nuclei in the excited and normal states is studied. High quality in determining the energy spectra is possible due to the accurate calculations of all elements of the energy matrix. It is demonstrated that the structure of the wave functions so determined provides the possibility to more accurately select the nuclear model and the method for calculating the nucleon cross-sections of the inelastic scattering of nucleons by odd nuclei.

Probing collective oscillation of d -orbital electrons at the nanoscale

Energy Technology Data Exchange (ETDEWEB)

Dhall, Rohan [Department of Materials Science and Engineering, North Carolina State University, Raleigh, North Carolina 27695, USA; Vigil-Fowler, Derek [National Renewable Energy Laboratory, Golden, Colorado 80401, USA; Houston Dycus, J. [Department of Materials Science and Engineering, North Carolina State University, Raleigh, North Carolina 27695, USA; Kirste, Ronny [Adroit Materials, Inc., Cary, North Carolina 27518, USA; Mita, Seiji [Adroit Materials, Inc., Cary, North Carolina 27518, USA; Sitar, Zlatko [Department of Materials Science and Engineering, North Carolina State University, Raleigh, North Carolina 27695, USA; Collazo, Ramon [Department of Materials Science and Engineering, North Carolina State University, Raleigh, North Carolina 27695, USA; LeBeau, James M. [Adroit Materials, Inc., Cary, North Carolina 27518, USA

2018-02-05

Here, we demonstrate that high energy electrons can be used to explore the collective oscillation of s, p, and d orbital electrons at the nanometer length scale. Using epitaxial AlGaN/AlN quantum wells as a test system, we observe the emergence of additional features in the loss spectrum with the increasing Ga content. A comparison of the observed spectra with ab-initio theory reveals that the origin of these spectral features lies in excitations of 3d-electrons contributed by Ga. We find that these modes differ in energy from the valence electron plasmons in Al1-xGaxN due to the different polarizabilities of the d electrons. Finally, we study the dependence of observed spectral features on the Ga content, lending insights into the origin of these spectral features, and their coupling with electron-hole excitations.

An automated baseline correction protocol for infrared spectra of atmospheric aerosols collected on polytetrafluoroethylene (Teflon) filters

Science.gov (United States)

Kuzmiakova, Adele; Dillner, Ann M.; Takahama, Satoshi

2016-06-01

A growing body of research on statistical applications for characterization of atmospheric aerosol Fourier transform infrared (FT-IR) samples collected on polytetrafluoroethylene (PTFE) filters (e.g., Russell et al., 2011; Ruthenburg et al., 2014) and a rising interest in analyzing FT-IR samples collected by air quality monitoring networks call for an automated PTFE baseline correction solution. The existing polynomial technique (Takahama et al., 2013) is not scalable to a project with a large number of aerosol samples because it contains many parameters and requires expert intervention. Therefore, the question of how to develop an automated method for baseline correcting hundreds to thousands of ambient aerosol spectra given the variability in both environmental mixture composition and PTFE baselines remains. This study approaches the question by detailing the statistical protocol, which allows for the precise definition of analyte and background subregions, applies nonparametric smoothing splines to reproduce sample-specific PTFE variations, and integrates performance metrics from atmospheric aerosol and blank samples alike in the smoothing parameter selection. Referencing 794 atmospheric aerosol samples from seven Interagency Monitoring of PROtected Visual Environment (IMPROVE) sites collected during 2011, we start by identifying key FT-IR signal characteristics, such as non-negative absorbance or analyte segment transformation, to capture sample-specific transitions between background and analyte. While referring to qualitative properties of PTFE background, the goal of smoothing splines interpolation is to learn the baseline structure in the background region to predict the baseline structure in the analyte region. We then validate the model by comparing smoothing splines baseline-corrected spectra with uncorrected and polynomial baseline (PB)-corrected equivalents via three statistical applications: (1) clustering analysis, (2) functional group quantification

Fast heavy ion collisions with C60: Collective excitation

International Nuclear Information System (INIS)

Kadhane, Umesh; Kelkar, A.H.; Misra, D.; Kumar, Ajay; Tribedi, L.C.

2006-01-01

Ionization and fragmentation of C 60 in collision with 5 MeV/μm O 6+ ions are studied using recoil ion ToF method. Relative ionization cross sections up to C 60 4+ are determined. The qualitative trend for different C 60 charge states was compared against simple plasmon excitation model

Fano resonance of the ultrasensitve optical force excited by Gaussian evanescent field

International Nuclear Information System (INIS)

Yang, Yang; Li, Jiafang; Li, Zhi-Yuan

2015-01-01

In this paper, we study the angle-dependent Fano-like optical force spectra of plasmonic Ag nanoparticles, which exhibit extraordinary transformation from Lorentzian resonance to Fano resonance when excited by a Gaussian evanescent wave. We systematically analyze the behavior of this asymmetric scattering induced optical force under different conditions and find that this Fano interference-induced force is ultrasensitive to the excitation wavelength, incident angle and particle size, as well as the core–shell configuration, which could be useful for wavelength- and angle-dependent size-selective optical manipulation. The origin of this Fano resonance is further identified as the interference between the two adjacent-order multipolar plasmonic modes excited in the Ag particle under the excitation of an inhomogeneously distributed evanescent field. (paper)

Dynamical and many-body correlation effects in the kinetic energy spectra of isotopes produced in nuclear multifragmentation

Science.gov (United States)

Souza, S. R.; Donangelo, R.; Lynch, W. G.; Tsang, M. B.

2018-03-01

The properties of the kinetic energy spectra of light isotopes produced in the breakup of a nuclear source and during the de-excitation of its products are examined. The initial stage, at which the hot fragments are created, is modeled by the statistical multifragmentation model, whereas the Weisskopf-Ewing evaporation treatment is adopted to describe the subsequent fragment de-excitation, as they follow their classical trajectories dictated by the Coulomb repulsion among them. The energy spectra obtained are compared to available experimental data. The influence of the fusion cross section entering into the evaporation treatment is investigated and its influence on the qualitative aspects of the energy spectra turns out to be small. Although these aspects can be fairly well described by the model, the underlying physics associated with the quantitative discrepancies remains to be understood.

X-ray excited optical luminescence (XEOL) and its application to porous silicon

International Nuclear Information System (INIS)

Hill, D.A.

1998-09-01

X-ray Excited Optical Luminescence (XEOL) is investigated as a local structural probe of the light-emitting sites in porous silicon. A detailed microscopic model of the XEOL process in porous silicon is proposed. A central aspect of the technique is an assessment of the spatial separation between the primary photoionisation event and subsequent optical radiative recombination. By constructing a Monte Carlo simulation of hot electron propagation in silicon using both elastic and inelastic scattering cross-sections, the mean minimum range of luminescence excitation can be calculated. This range is estimated as 546±1A for the silicon K-edge (∼ 1839eV), but is reduced to 8.9±0.1A for the silicon L 2,3 -edge (∼ 99eV). From known porous silicon properties, it is concluded that this mean minimum range is comparable to the actual range of excitation. Hence, more localised structural information may be obtained from L 2,3 -edge XEOL measurements. This important difference between the two spectra has been neglected in previous studies. Simultaneous measurements of the XEOL and total electron yield (TEY) x-ray absorption spectra (XAS) have been conducted at both the silicon K-edge and L 2,3 -edge for various porous silicon samples and related materials. Measurements have been conducted at the Si K-edge on a rapid thermally oxidised (RTO) porous silicon sample. XEOL spectra yield two distinct luminescence bands in the visible region. From multi-bunch wavelength-selective XEOL measurements, it is concluded that there are blue luminescent defective silica sites together with a red luminescent site originating from silicon-like material. The spectral time decay curve under pulsed x-ray excitation gives two distinct decay components; one fast in the range of a few nanoseconds and the other slow in the range of microseconds. Time-resolved XEOL measurements in single-bunch mode show that the fast band mirrors the blue wavelength XEOL whereas the slow band correlates with the

Interference between radiative emission and autoionization in the decay of excited states of atoms

International Nuclear Information System (INIS)

Armstrong, L. Jr.; Theodosiou, C.E.; Wall, M.J.

1978-01-01

An excited state of an atom which can autoionize can also undergo radiative decay. We consider the interaction between the final states resulting from these two modes of decay, and its effects on such quantities as the fluorescence yield of the excited state, excitation profile of the excited state, and the spectra of the emitted photons and electrons. It is shown that the fraction of decays of the excited state resulting in a photon (fluorescence yield) is particularly sensitive to the details of the final-state interaction. In lowest order in the final-state interaction, the fluorescence yield is increased by a factor (1 + 1/q 2 ) from the traditional value, where q is the Fano q parameter relating to the excited state and the final atomic state

Excitation-energy-dependent resonances in x-ray emissions under near-threshold electron excitation of the Ce 3d and 4d levels

International Nuclear Information System (INIS)

Chamberlain, M.B.; Baun, W.L.

1975-01-01

Soft x-ray appearance potential spectra of the 3d and 4d levels of polycrystalline cerium metal are reported in this paper. Resonant x-ray emissions are observed when the electron-excitation energy sweeps through the ionization energies of the 3d and 4d levels. The resonant x rays excited at the 3d-level onsets are considerably more intense, and are excited at a lower electron-excitation energy than the 3d-series characteristic x rays. In the neighborhood of the 4d-electron thresholds, four line-like structures extend to approx.8 eV below the 4d-electron binding energies, while two broad and more intense structures occur above the 4d onsets, with the largest one reaching a peak intensity at 12 eV above the 4d thresholds. The resonant emissions apparently arise from the decay of threshold-excited states which are bound to the inner vacancy and have core configurations nd 9 4f 3 , (n=3,4). The exchange interaction between the three 4f electrons and the respective d-orbital vacancy spreads the 4d-threshold structures over a 20 eV range of excitation energies and the 3d-threshold structures over a much smaller range

The XUV spectra of highly ionised molybdenum

International Nuclear Information System (INIS)

Mansfield, M.W.D.; Peacock, N.J.; Smith, C.C.; Hobby, M.G.; Cowan, R.D.

1978-01-01

The spectra of molybdenum ions produced in Tokamaks in the wavelength range 10-200 A have been reproduced in a plasma formed by laser beam irradiation of solid molybdenum targets. Lines from highly ionised stages of molybdenum (Mo XXX to Mo XXXII) have been distinguished by varying the laser beam intensity. Detailed analyses of the simpler ions, Mo XV (Ni-like), Mo XVI (Co-like), Mo XXXII (Na-like), and to a lesser extent Mo XXXI (Mg-like) and Mo XVII (Fe-like), have been achieved by comparison with ab initio calculations. A general interpretation of intermediate ion stages is also given but it is shown that most of these spectra are so complex, as a result of inner-subshell excitation, that detailed term-scheme analyses are nearly impossible. (author)

Goldstone mode and pair-breaking excitations in atomic Fermi superfluids

Science.gov (United States)

Hoinka, Sascha; Dyke, Paul; Lingham, Marcus G.; Kinnunen, Jami J.; Bruun, Georg M.; Vale, Chris J.

2017-10-01

Spontaneous symmetry breaking is a central paradigm of elementary particle physics, magnetism, superfluidity and superconductivity. According to Goldstone's theorem, phase transitions that break continuous symmetries lead to the existence of gapless excitations in the long-wavelength limit. These Goldstone modes can become the dominant low-energy excitation, showing that symmetry breaking has a profound impact on the physical properties of matter. Here, we present a comprehensive study of the elementary excitations in a homogeneous strongly interacting Fermi gas through the crossover from a Bardeen-Cooper-Schrieffer (BCS) superfluid to a Bose-Einstein condensate (BEC) of molecules using two-photon Bragg spectroscopy. The spectra exhibit a discrete Goldstone mode, associated with the broken-symmetry superfluid phase, as well as pair-breaking single-particle excitations. Our techniques yield a direct determination of the superfluid pairing gap and speed of sound in close agreement with strong-coupling theories.

Spectra of the W VIII isoelectronic sequence: III. Re IX

International Nuclear Information System (INIS)

Ryabtsev, A N; Kononov, E Ya; Kildiyarova, R R; Tchang-Brillet, W-Ü L; Wyart, J-F; Champion, N; Blaess, C

2015-01-01

Rhenium spectra excited in vacuum spark sources of different setups and electric circuits were recorded on two high resolution vacuum spectrographs: a 10 m normal incidence spectrograph with a 3600 l mm −1 grating in the Meudon Observatory and a 3 m grazing incidence spectrograph with a 3600 l mm −1 grating in the Institute of Spectroscopy in Troitsk. A total of 112 lines in the region 146–244 Å were identified as transitions from the interacting excited even configurations 4f 12 5s 2 5p 6 5d + 4f 13 5s 2 5p 5 (5d + 6s) + 4f 14 5s 2 5p 4 (5d + 6s) to the low-lying odd configurations 4f 13 5s 2 5p 6 and 4f 14 5s 2 5p 5 . A change of the ground configuration from 4f 13 5s 2 5p 6 to 4f 14 5s 2 5p 5 in a comparison with the previous spectra of the isoelectronic sequence Hf VI–W VIII was observed. Fine structure splittings and relative positions of the odd terms were established, and 83 levels of the excited even configurations were found. (paper)

Excited levels of Pa-233; Niveles excitados del Pa-233

Energy Technology Data Exchange (ETDEWEB)

Vara Cuadrado, J M

1969-07-01

A study of Pa-233 excited levels from the alpha decay of Np-237 and from beta decay of Th-233 has been performed. The alpha decay spectrum was measured with a semiconductor spectrometer of 18 keV effective resolution (FWHM). Over 13 new lines were identified. The gamma ray spectra of Np-237 and Th-233 were obtained with a Ge-Li detector low and medium range energy lines, and with Si-Li detector for the low energy region. A continuous purification method of Np-237 from its comparatively short-lived daughter Pa-233 was applied. A high number of new lines were identified in both spectra. The gamma-gamma coincidence spectra were obtained with INa(T{sub 1}) detectors. (Author) 54 refs.

SURVEY OF THE SPECTRA OF THE DIVALENT RARE EARTH IONS IN CUBIC CRYSTALS

Energy Technology Data Exchange (ETDEWEB)

McClure, Donald S. [Univ. of Chicago, IL (United States); Kiss, Zoltan J. [RCA Laboratories, Princeton, NJ (United States)

1963-04-15

The rare earth ions may exist in the divalent state in suitable host crystals such as CaF/sub 2/. All of the trivalent ions from La to Yb are reduced in situ to the divalent state in CaF/sub 2/ by gamma irradiation. The spectra of most of these ions show that the ground and first few excited states derive from f/sup n/ configurations, but the wesk absorption due to these is masked at higher energies by strong broad bands of the parity permitted f/sup n/ yields f/sup n-1/ d transitions. The excitation energy of these spectra have been calculated in a first approximation as the energy difference between the Hund Rule'' single determinant states of the configurations f/sup n -1/d and f/sup n/. This procedure satisfactorily accounts for the remarkable variations in the excitation energy in passing from one ion to the next in the series with the exception of Ge/ sup 2+/ Ce/sup 2+/, and Tb/sup 2+/, Ge/sup 2+/ probably has f/sup 7/d for its ground con figuration, while Ce/sup 2+/ and Tb/sup 2+/ are borderline cases. The spectral structure probably arises chiefly from the crystal field splitting of the d-orbital, since each ion in CaF/sub 2/ has a similar spectrum, and the spectra change drastically in sites of other than cubic symmetry. (auth)

Exciton Scattering approach for conjugated macromolecules: from electronic spectra to electron-phonon coupling

Science.gov (United States)

Tretiak, Sergei

2014-03-01

The exciton scattering (ES) technique is a multiscale approach developed for efficient calculations of excited-state electronic structure and optical spectra in low-dimensional conjugated macromolecules. Within the ES method, the electronic excitations in the molecular structure are attributed to standing waves representing quantum quasi-particles (excitons), which reside on the graph. The exciton propagation on the linear segments is characterized by the exciton dispersion, whereas the exciton scattering on the branching centers is determined by the energy-dependent scattering matrices. Using these ES energetic parameters, the excitation energies are then found by solving a set of generalized ``particle in a box'' problems on the graph that represents the molecule. All parameters can be extracted from quantum-chemical computations of small molecular fragments and tabulated in the ES library for further applications. Subsequently, spectroscopic modeling for any macrostructure within considered molecular family could be performed with negligible numerical effort. The exciton scattering properties of molecular vertices can be further described by tight-binding or equivalently lattice models. The on-site energies and hopping constants are obtained from the exciton dispersion and scattering matrices. Such tight-binding model approach is particularly useful to describe the exciton-phonon coupling, energetic disorder and incoherent energy transfer in large branched conjugated molecules. Overall the ES applications accurately reproduce the optical spectra compared to the reference quantum chemistry results, and make possible to predict spectra of complex macromolecules, where conventional electronic structure calculations are unfeasible.

Excited-state spectroscopy of singly, doubly and triply-charmed baryons from lattice QCD

Energy Technology Data Exchange (ETDEWEB)

Padmanath, M. [Tata Institute; Edwards, Robert G. [JLAB; Mathur, Nilmani [Tata Institute; Peardon, Michael [Trinity College

2014-07-01

We present the ground and excited state spectra of singly, doubly and triply-charmed baryons by using dynamical lattice QCD. A large set of baryonic operators that respect the symmetries of the lattice and are obtained after subduction from their continuum analogues are utilized. These operators transform as irreducible representations of SU(3)F symmetry for flavour, SU(4) symmetry for Dirac spins of quarks and O(3) symmetry for orbital angular momenta. Using novel computational techniques correlation functions of these operators are generated and the variational method is exploited to extract excited states. The lattice spectra that we obtain have baryonic states with well-defined total spins up to 7/2 and the low lying states remarkably resemble the expectations of quantum numbers from SU(6)ⓍO(3) symmetry.

Study of the effect of shell stabilization of the collective isovector valence-shell excitations along the N=80 isotonic chain

CERN Multimedia

Blazhev, A A; Kruecken, R; Coquard, L; Bloch, T P; Wadsworth, R; Danchev, M T; Jenkins, D G; Kroell, T; Leske, J

It is proposed to initiate an experimental program to study the quadrupole-collective isovector valence-shell excitations the so-called mixed-symmetry states (MSSs) of unstable nuclei from the N = 80 isotonic chain. The main aim of this program is to investigate the microscopic mechanism which leads to a concentration or a fragmentation of the MSSs, an effect dubbed $\\textit{shell stabilization}$ of MSSs. This will be achieved by identification of MSSs of the unstable nuclei $^{140}$Nd and $^{142}$Sm. The MSSs of these nuclei will be identified experimentally by measuring their relative populations with respect to the population of the first 2$^{+}$ states in inverse kinematics Coulomb excitation (CE) reactions on light targets. As a first step of this program we apply for a beam time for the radioactive $^{140}$Nd and $^{142}$Sm beams at beam energy of 2.85 MeV/u. These beams will be used to determine the absolute B(E2;2$_{1}^{+} \\rightarrow$ 0$_{1}^{+}$) values for $^{140}$Nd and $^{142}$Sm in Coulomb excit...

Effects of ligand substitution on the excited state dynamics of the Ru(dcbpy)(CO){sub 2}I{sub 2} complex

Energy Technology Data Exchange (ETDEWEB)

Lehtovuori, Viivi; Kallioinen, Jani; Myllyperkioe, Pasi; Haukka, Matti; Korppi-Tommola, Jouko

2003-11-15

Spectroscopic evidence suggest [PCCP 3 (2001) 1992] that illumination with visible light of the [trans-I-Ru(dcbpy)(CO){sub 2}I{sub 2}] (dcbpy4,4{sup '}-dicarboxy-2,2{sup '}-bipyridine) complex in solution induces dissociation of a CO group followed by reorganization of the ligands and attachment of a solvent molecule. In the present study, we report results on excited state dynamics of this ruthenium complex and its photoproduct. Femtosecond transient absorption measurements reveal dominance of excited state absorption of the reactant and the photoproduct [cis-I-Ru(dcbpy)(CO)(Sol)I{sub 2}] (Sol=ethanol or acetonitrile) in the visible spectral region. The time-resolved measurements for the reactant at 77 K indicate interligand charge transfer from mixed Ru-I states to empty dcbpy orbitals. For the photoproduct, no such transfer was observed. In both complexes recovery from the lowest energy excited triplet state to the ground state occurs via two channels: radiative relaxation and a parallel barrier controlled non-radiative relaxation. The barrier is much higher in the reactant (about 850 cm{sup -1}) than in the product. A combination of DFT and ZINDO/CI calculations was used to estimate excited singlet and triplet spectra of the reactant and the product molecules. Calculated singlet-triplet difference spectra qualitatively match the observed transient spectra 500 fs after excitation supporting the idea that observed excited state relaxation occurs from the triplet states in both complexes.

Excitation of Nucleon Resonances

International Nuclear Information System (INIS)

Burkert, Volker D.

2001-01-01

I discuss developments in the area of nucleon resonance excitation, both necessary and feasible, that would put our understanding of nucleon structure in the regime of strong QCD on a qualitatively new level. They involve the collection of high quality data in various channels, a more rigorous approach in the search for ''missing'' resonances, an effort to compute some critical quantities in nucleon resonance excitations from first principles, i.e. QCD, and a proposal focused to obtain an understanding of a fundamental quantity in nucleon structure

The recombination channels of luminescence excitation in YAG:Yb single crystalline films

International Nuclear Information System (INIS)

Zakharko, Ya.M.; Luchechko, A.P.; Ubizskii, S.B.; Syvorotka, I.I.; Martynyuk, N.V.; Syvorotka, I.M.

2007-01-01

Absorption and emission spectra, luminescence decay kinetics and thermostimulated luminescence of X-ray irradiated YAG:Yb single crystalline films were studied. Two emission bands peaked at 420 and 488 nm have been detected in the investigated films. The strong thermal quenching of luminescence band at 488 nm was observed above 160 K. The influence of growth conditions and annealing in air on the lifetime of Yb 3+ ion excited state in the IR spectral region have been revealed. The recombination mechanisms of the f-f transition at Yb 3+ ion excitation, as well as the mechanism of lifetime shortening for the excited Yb 3+ luminescence have been discussed

Complicated Fermi-type vibronic resonance: Untangling of the single-site quasi-line fluorescence excitation spectra of a methylated dibenzoporphin

International Nuclear Information System (INIS)

Arabei, S.M.; Kuzmitsky, V.A.; Solovyov, K.N.

2008-01-01

The quasi-line low-temperature (4.2 K) fluorescence excitation spectra of 2,3,12,13-tetramethyldibenzo[g,q]porphin introduced into an n-octane matrix have been measured in the range of the S 2 0 electronic transition at selective fluorescence monitoring for the two main types of impurity centers (sites). A characteristic feature of these spectra is that a conglomerate of quasi-lines - a structured complex band - is observed instead of one 0-0 quasi-line of the S 2 0 transition. In this band, the intensity distributions for the two main sites considerably differ from each other. The occurrence of such conglomerates is interpreted as a result of nonadiabatic vibrational-electronic interaction between the vibronic S 2 and S 1 states (the complex vibronic analogue of the Fermi resonance). The frequencies and intensities of individual transitions determined from the deconvolution of complex conglomerates are used as the initial data for solving the inverse spectroscopic problem: the determination of the unperturbed electronic and vibrational levels of states involved in the resonance and the vibronic-interaction matrix elements between them. This problem is solved with a method developed previously. The experimental results and their analysis are compared to the analogous data obtained earlier for meso-tetraazaporphin and meso-tetrapropylporphin. The energy intervals between the S 2 and S 1 electronic levels (ΔE S 2 S 1 ) of the two main types of impurity centers formed by molecules of a given porphyrin in the crystal matrix are found to significantly differ from each other, the values of this difference (δΔE S 2 S 1 ) being considerably greater for tetramethyldibenzoporphin, δΔE S 2 S 1 =228cm -1 , than for the two other porphyrins. At the same time, the energies of the unperturbed vibrational states of the S 1 electronic level participating in the resonance are very close to each other for these two sites

Assessment of time-dependent density functional theory with the restricted excitation space approximation for excited state calculations of large systems

Science.gov (United States)

Hanson-Heine, Magnus W. D.; George, Michael W.; Besley, Nicholas A.

2018-06-01

The restricted excitation subspace approximation is explored as a basis to reduce the memory storage required in linear response time-dependent density functional theory (TDDFT) calculations within the Tamm-Dancoff approximation. It is shown that excluding the core orbitals and up to 70% of the virtual orbitals in the construction of the excitation subspace does not result in significant changes in computed UV/vis spectra for large molecules. The reduced size of the excitation subspace greatly reduces the size of the subspace vectors that need to be stored when using the Davidson procedure to determine the eigenvalues of the TDDFT equations. Furthermore, additional screening of the two-electron integrals in combination with a reduction in the size of the numerical integration grid used in the TDDFT calculation leads to significant computational savings. The use of these approximations represents a simple approach to extend TDDFT to the study of large systems and make the calculations increasingly tractable using modest computing resources.

Resonant Raman and FTIR spectra of carbon doped GaN

Science.gov (United States)

Ito, S.; Kobayashi, H.; Araki, K.; Suzuki, K.; Sawaki, N.; Yamashita, K.; Honda, Y.; Amano, H.

2015-03-01

Intentionally carbon (C) doped (0 0 0 1)GaN was grown using C2H2 on a sapphire substrate by metalorganic vapor phase epitaxy. Optical spectra of the heavily doped samples were investigated at room temperature. In Raman spectra excited by the 325 nm line of a He-Cd laser, multiple LO phonon scattering signals up to 7th order were observed, and the A1(LO) phonon energy was determined to be 737.5 cm-1 (91.45 meV). In infrared reflectance spectra, on the other hand, a local vibration mode was found at 777.5 cm-1, which is attributed to a Ga-C bond in the GaN matrix suggesting that the C sits on an N site (CN). In spite of the strong suggestion of CN, the samples did not show p-type conduction. Possible origin of the carrier compensation is discussed in relation to the enhancement of defect related yellow luminescence in the photoluminescence spectra.

Distinguishing Vaccinium species by chemical fingerprinting based on NMR spectra, validated with spectra collected in different laboratories.

Science.gov (United States)

Markus, Michelle A; Ferrier, Jonathan; Luchsinger, Sarah M; Yuk, Jimmy; Cuerrier, Alain; Balick, Michael J; Hicks, Joshua M; Killday, K Brian; Kirby, Christopher W; Berrue, Fabrice; Kerr, Russell G; Knagge, Kevin; Gödecke, Tanja; Ramirez, Benjamin E; Lankin, David C; Pauli, Guido F; Burton, Ian; Karakach, Tobias K; Arnason, John T; Colson, Kimberly L

2014-06-01

A method was developed to distinguish Vaccinium species based on leaf extracts using nuclear magnetic resonance spectroscopy. Reference spectra were measured on leaf extracts from several species, including lowbush blueberry (Vaccinium angustifolium), oval leaf huckleberry (Vaccinium ovalifolium), and cranberry (Vaccinium macrocarpon). Using principal component analysis, these leaf extracts were resolved in the scores plot. Analysis of variance statistical tests demonstrated that the three groups differ significantly on PC2, establishing that the three species can be distinguished by nuclear magnetic resonance. Soft independent modeling of class analogies models for each species also showed discrimination between species. To demonstrate the robustness of nuclear magnetic resonance spectroscopy for botanical identification, spectra of a sample of lowbush blueberry leaf extract were measured at five different sites, with different field strengths (600 versus 700 MHz), different probe types (cryogenic versus room temperature probes), different sample diameters (1.7 mm versus 5 mm), and different consoles (Avance I versus Avance III). Each laboratory independently demonstrated the linearity of their NMR measurements by acquiring a standard curve for chlorogenic acid (R(2) = 0.9782 to 0.9998). Spectra acquired on different spectrometers at different sites classifed into the expected group for the Vaccinium spp., confirming the utility of the method to distinguish Vaccinium species and demonstrating nuclear magnetic resonance fingerprinting for material validation of a natural health product. Georg Thieme Verlag KG Stuttgart · New York.

Ab initio and DFT studies of the structure and vibrational spectra of anhydrous caffeine

Science.gov (United States)

Srivastava, Santosh K.; Singh, Vipin B.

2013-11-01

Vibrational spectra and molecular structure of anhydrous caffeine have been systematically investigated by second order Moller-Plesset (MP2) perturbation theory and density functional theory (DFT) calculations. Vibrational assignments have been made and many previous ambiguous assignments in IR and Raman spectra are amended. The calculated DFT frequencies and intensities at B3LYP/6-311++G(2d,2p) level, were found to be in better agreement with the experimental values. It was found that DFT with B3LYP functional predicts harmonic vibrational wave numbers more close to experimentally observed value when it was performed on MP2 optimized geometry rather than DFT geometry. The calculated TD-DFT vertical excitation electronic energies of the valence excited states of anhydrous caffeine are found to be in consonance to the experimental absorption peaks.

Excited states in 146Sm and 147Sm

International Nuclear Information System (INIS)

Kownacki, J.; Sujkowski, Z.; Hammaren, E.; Liukkonen, E.; Piiparinen, M.; Lindblad, Th.; Ryde, H.

1979-10-01

The sup(144,146)Nd(α,xn) and sup(146,148)Nd( 3 He,xn) reactions with Esub(α) = 20 - 43 MeV and E 3 sub(He) = 19 - 27 MeV are used to investigate excited states in the isotopes 146 Sm and 147 Sm. The experiments involve measurements of singles γ-ray spectra and conversion electron spectra, γ-ray angular distributions and three parameter (E sub(γ)E sub(γ) time) coincidences. From these experiments information is obtained for states with spin up to I = 13 + and I = 27/2 - , respectively, These states are interpeted within the framework of the cluster-vibration model (CVM) as well as the shell model. (author)

Quadrupole and octupole collectivity and cluster structures in neon isotopes

Science.gov (United States)

Marević, P.; Ebran, J.-P.; Khan, E.; Nikšić, T.; Vretenar, D.

2018-02-01

The lowest positive- and negative-parity bands of 20Ne and neutron-rich even-even Ne isotopes are investigated using a theoretical framework based on energy density functionals. Starting from a self-consistent relativistic Hartree-Bogoliubov calculation of axially symmetric and reflection-asymmetric deformation energy surfaces, the collective symmetry-conserving states are built using projection techniques and the generator coordinate method. Overall a good agreement with the experimental excitation energies and transition rates is obtained. In particular, the model provides an accurate description of the excitation spectra and transition probabilities in 20Ne. The contribution of cluster configurations to the low-energy states is discussed, as well as the transitional character of the ground state. The analysis is extended to 22Ne and the shape-coexisting isotope 24Ne, and to the drip-line nuclei 32Ne and 34Ne. The role of valence neutrons in the formation of molecular-type bonds between clusters is discussed.

Probing symmetry and symmetry breaking in resonant soft-x-ray fluorescence spectra of molecules

Energy Technology Data Exchange (ETDEWEB)

Glans, P.; Gunnelin, K.; Guo, J. [Uppsala Univ. (Sweden)] [and others

1997-04-01

Conventional non-resonant soft X-ray emission brings about information about electronic structure through its symmetry and polarization selectivity, the character of which is governed by simple dipole rules. For centro-symmetric molecules with the emitting atom at the inversion center these rules lead to selective emission through the required parity change. For the more common classes of molecules which have lower symmetry or for systems with degenerate core orbitals (delocalized over identical sites), it is merely the local symmetry selectivity that provides a probe of the local atomic orbital contribution to the molecular orbital. For instance, in X-ray spectra of first row species the intensities essentially map the p-density at each particular atomic site, and, in a molecular orbital picture, the contribution of the local p-type atomic orbitals in the LCAO description of the molecular orbitals. The situation is different for resonant X-ray fluorescence spectra. Here strict parity and symmetry selectivity gives rise to a strong frequency dependence for all molecules with an element of symmetry. In addition to symmetry selectivity the strong frequency dependence of resonant X-ray emission is caused by the interplay between the shape of a narrow X-ray excitation energy function and the lifetime and vibrational broadenings of the resonantly excited core states. This interplay leads to various observable effects, such as linear dispersion, resonance narrowing and emission line (Stokes) doubling. Also from the point of view of polarization selectivity, the resonantly excited X-ray spectra are much more informative than the corresponding non-resonant spectra. Examples are presented for nitrogen, oxygen, and carbon dioxide molecules.

Electronic excitation of some silicium compounds in the vacuum ultravi olet region

International Nuclear Information System (INIS)

Rocco, M.L.M.

1986-01-01

Angle-resolved electron energy-loss spectra have been measured for the tetramethylsilane, trimethylchlorosilane and dimethyldichloresilane molecules in the 5 - 300 eV energy range. The spectra have been obtained at 1 KeV incident energy, with an energy resolution of about 0.5 eV (valense region) and 0.8 eV (inner-shell region). Both the valence and core-level excitation bands can be as associated to transitions to Rydber and valence states. No dipole-allowed transition has been observed in the spectra measured in the angular range of 1 to 9 degrees (valence region) and 3 to 7 degrees (inner-shell region). (Author) [pt

Crystal field excitations of YbMn{sub 2}Si{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Mole, R.A. [Australian Nuclear Science and Technology Organisation, Lucas Heights, NSW 2234 (Australia); School of Physical, Environmental and Mathematical Sciences, The University of New South Wales at the Australian Defence Force Academy, Canberra, ACT 2600 (Australia); Hofmann, M. [School of Physical, Environmental and Mathematical Sciences, The University of New South Wales at the Australian Defence Force Academy, Canberra, ACT 2600 (Australia); Forschungsneutronenquelle Heinz Maier-Leibnitz (FRM II), Technische Universität München, 85747 Garching (Germany); Adroja, D.T. [ISIS Facility, Science and Technology Facilities Council, Rutherford Appleton Laboratory, Didcot, OX11 OQX (United Kingdom); Moze, O. [Dipartimento di Fisica, Università degli Studi di Modena e Reggio Emilia, Modena (Italy); Campbell, S.J., E-mail: stewart.campbell@adfa.edu.au [School of Physical, Environmental and Mathematical Sciences, The University of New South Wales at the Australian Defence Force Academy, Canberra, ACT 2600 (Australia)

2013-12-15

The crystal field excitations of the rare earth intermetallic compound YbMn{sub 2}Si{sub 2} have been measured by inelastic neutron scattering over the temperature range 2.5–50 K. The YbMn{sub 2}Si{sub 2} spectra exhibit three low energy excitations (∼3–7 meV) in the antiferromagnetic AFil region above the magnetic phase transition at T{sub N2} = 30(5) K. The crystal field parameters have been determined for YbMn{sub 2}Si{sub 2} in the antiferromagnetic AFil region. A further two inelastic excitations (∼9 meV, 17 meV) are observed below T{sub N2}=30(5) K, the temperature at which the high temperature antiferromagnetic structure is reported to exhibit doubling of the magnetic cell. Energy level diagrams have been determined for Yb{sup 3+} ions in the different sites above (single site) and below the magnetic transition temperature (two sites). The excitation energies for both sites are shown to be temperature independent with the temperature dependences of the transition intensities for the two sites described well by a simple Boltzmann model. The spectra below T{sub N2} cannot be described fully in terms of molecular field models based on either a single Yb{sup 3+} site or two Yb{sup 3+} sites. This indicates that the magnetic behaviour of YbMn{sub 2}Si{sub 2} is more complicated than previously considered. The inability to account fully for excitations below the magnetic phase transition may be due to an, as yet, unresolved structural transition associated with the magnetic transition. - Highlights: • The inelastic neutron scattering from YbMn{sub 2}Si{sub 2} has been investigated over the temperature range 2.5–50 K. • The crystal field splitting has been monitored through the magnetic transition at 30(5) K. • We have determined the crystal field parameters for the antiferromagnetic AFil region. • The transition intensities are described well by Boltzmann occupancy models. • The spectra below the magnetic transition have been analysed by

Attempt to separate the fluorescence spectra of adrenaline and noradrenaline using chemometrics

DEFF Research Database (Denmark)

Nikolajsen, Rikke P; Hansen, Åse Marie; Bro, R

2000-01-01

An investigation was conducted on whether the fluorescence spectra of the very similar catecholamines adrenaline and noradrenaline could be separated using chemometric methods. The fluorescence landscapes (several excitation and emission spectra were measured) of two data sets with respectively 16...... regression (Unfold-PLSR) on the larger data set and parallel factor analysis (PARAFAC) of the six samples of the smaller set showed that there was no difference between the fluorescence landscapes of adrenaline and noradrenaline. It can be concluded that chemometric separation of adrenaline and noradrenaline...

Experimental and theoretical studies of the VUV emission and absorption spectra of H2, HD and D2 molecules

International Nuclear Information System (INIS)

Roudjane, M.

2007-12-01

The aim of this thesis is to carry out an experimental study of the absorption and emission spectra of the D 2 and HD isotopes, with high resolution, in the VUV domain and to supplement it by a theoretical study of the excited electronic states involved in the observed transitions. The emission spectra of HD and D 2 are produced by Penning discharge source operating under low pressure and are recorded in the spectral range 78 - 170 nm. The recorded spectra contains more than 20.000 lines. The analysis of the spectrum consists in identifying and assigning the lines to the electronic transitions between energy levels of the molecule. The present analysis is based on our theoretical calculations of the ro-vibrational energy levels of the excited electronic states and the transition probabilities from these states towards the energy levels of the fundamental state. The theoretical results are obtained by resolving the coupled equations between the excited electronic states B 1 Σ u 1 , B' 1 Σ u 1 , C 1 Π u 1 and D 1 Π u 1 , taking into account the nonadiabatic couplings between these states, and they are obtained in the adiabatic approximation for the excited electronic states B''B-bar 1 Σ u + , D' 1 Π u 1 and D'' 1 Π u 1 . The equations are resolved using a modern method based on the discretization variables representation method. In addition, we have carried out a study of the absorption spectra of the HD and D 2 molecules

Calculation of β-ray spectra. Odd-odd nuclei

International Nuclear Information System (INIS)

Tachibana, Takahiro

1996-01-01

In order to study β-ray of atomic nucleus, it is natural to consider β-ray data fundamental and important. In a recent experiment, Rudstam measured β-ray spectra from short term nuclear fission product species in 1990. It is an important check point in theoretical study on β-ray to investigate if these experimental data can be reproduced by any theoretical calculation. As there are several spectrum studies of β-ray through decay heat for its various properties due to the general theory of the β-decay, little descriptions can be found. In even such studies, spectra under high excitation state of daughter species difficult to measure and apt to short experimental results were treated with combination spectra composed of experimental and calculated values such as substitution of a part of the general theory with calculated value. In this paper, the β spectra supposed by only the general theory was reported without using such data combination in order to confirm effectiveness of the theory. In particular, this report was described mainly on the results using recent modification of odd-odd nucleus species. (G.K.)

Calculation of {beta}-ray spectra. Odd-odd nuclei

Energy Technology Data Exchange (ETDEWEB)

Tachibana, Takahiro [Waseda Univ., Tokyo (Japan). Advanced Research Center for Science and Engineering

1996-05-01

In order to study {beta}-ray of atomic nucleus, it is natural to consider {beta}-ray data fundamental and important. In a recent experiment, Rudstam measured {beta}-ray spectra from short term nuclear fission product species in 1990. It is an important check point in theoretical study on {beta}-ray to investigate if these experimental data can be reproduced by any theoretical calculation. As there are several spectrum studies of {beta}-ray through decay heat for its various properties due to the general theory of the {beta}-decay, little descriptions can be found. In even such studies, spectra under high excitation state of daughter species difficult to measure and apt to short experimental results were treated with combination spectra composed of experimental and calculated values such as substitution of a part of the general theory with calculated value. In this paper, the {beta} spectra supposed by only the general theory was reported without using such data combination in order to confirm effectiveness of the theory. In particular, this report was described mainly on the results using recent modification of odd-odd nucleus species. (G.K.)

Far-infrared spectra of acetanilide revisited

Science.gov (United States)

Spire, A.; Barthes, M.; Kellouai, H.; De Nunzio, G.

2000-03-01

A new investigation of the temperature dependence of the far-infrared spectra of acetanilide and some isotopomers is presented. Four absorption bands are considered at 31, 42, 64, and 80 cm-1, and no significant change of their integrated intensity is observed when reducing the temperature. The temperature induced frequency shift values and other properties of these bands are consistent with an assignment as anharmonic lattice phonons. These results rule out the assignment of the 64, 80, and 106 cm-1 bands as normal modes of the polaronic excitation, as previously suggested.

One- and two-photon spectra of Nd3+ clusters in CaF2 and SrF2 crystals

International Nuclear Information System (INIS)

Basiev, Tasoltan T; Voronov, Valerii V; Glotova, M Yu; Papashvili, A G; Karasik, Aleksandr Ya

2003-01-01

The polarised two-photon (IR) and one-photon (visible) luminescence excitation spectra of Nd 3+ nanoclusters in CaF 2 and SrF 2 crystals are measured at 10 K using a F - 2 :LiF colour centre laser tunable in spectral ranges 1090 - 1230 nm and 545 - 615 nm with an emission linewidth of ∼0.02 - 0.03 cm -1 , an average output power of ∼55 mW, and a pulse repetition rate of 10 Hz. The two-photon excitation spectra at the 4 I 9/2 → 4 G 5/2 transition reveal the structure, which is absent upon one-photon excitation, which can be explained by different selection rules for some Stark - Stark transitions upon one- and two-photon absorption. (special issue devoted to the memory of academician a m prokhorov)

Determination of rare-earth elements in rocks by isotope-excited X-ray fluorescence spectrometry

DEFF Research Database (Denmark)

Kunzendorf, Helmar; Wollenberg, H.A.

1970-01-01

Isotope-excited X-ray fluorescence spectrometry furnishes a rapid determination of rare-earth elements in unprepared rock samples. The samples are excited by 241Am γ-rays, generating X-ray spectra on a multichannel pulse-height analyser. Gaussian peaks of the Kα and Kβ X-ray energies are treated......-ray spectrometric scan of a longitudinally sliced drill core showed a close correlation between rare-earth abundances and appropriate minerals....

Collective hypersonic excitations in strongly multiple scattering colloids.

Science.gov (United States)

Still, T; Gantzounis, G; Kiefer, D; Hellmann, G; Sainidou, R; Fytas, G; Stefanou, N

2011-04-29

Unprecedented low-dispersion high-frequency acoustic excitations are observed in dense suspensions of elastically hard colloids. The experimental phononic band structure for SiO(2) particles with different sizes and volume fractions is well represented by rigorous full-elastodynamic multiple-scattering calculations. The slow phonons, which do not relate to particle resonances, are localized in the surrounding liquid medium and stem from coherent multiple scattering that becomes strong in the close-packing regime. Such rich phonon-matter interactions in nanostructures, being still unexplored, can open new opportunities in phononics.

Time-space distribution of laser-induced plasma parameters and its influence on emission spectra of the laser plumes

International Nuclear Information System (INIS)

Ershov-Pavlov, E.A.; Katsalap, K.Yu.; Stepanov, K.L.; Stankevich, Yu.A.

2008-01-01

A physical model is developed accounting for dynamics and radiation of plasma plumes induced by nanosecond laser pulses on surface of solid samples. The model has been applied to simulate emission spectra of the laser erosion plasma at the elemental analysis of metals using single- and double-pulse excitation modes. Dynamics of the sample heating and expansion of the erosion products are accounted for by the thermal conductivity and gas dynamic equations, respectively, supposing axial symmetry. Using the resulting time-space distributions of the plasma parameters, emission spectra of the laser plumes are evaluated by solving the radiation transfer equation. Particle concentration in consecutive ionization stages is described by the Saha equation in the Debye approximation. The population of excited levels is determined according to Boltzmann distribution. Local characteristics determining spectral emission and absorption coefficients are obtained point-by-point along an observation line. Voigt spectral line profiles are considered with main broadening mechanisms taken into account. The plasma dynamics and plume emission spectra have been studied experimentally and by the model. A Q-switched Nd:YAG laser at 1064 nm wavelength has been used to irradiate Al sample with the pulses of 15 ns and 50 mJ duration and energy, respectively. It has resulted in maximum power density of 0.8 MW/cm 2 on the sample surface. The laser plume emission spectra have been recorded at a side-on observation. Problems of the spectra contrast and of the elemental analysis efficiency are considered relying on a comparative study of the measurement and simulation results at the both excitation modes

Electronically excited states of chloroethylenes: Experiment and DFT calculations in comparison

International Nuclear Information System (INIS)

Khvostenko, O.G.

2014-01-01

Highlights: • B3LYP/6-311 + G(d,p) calculations of chloroethylenes molecules were performed. • Calculations were correlated with experiment on the molecules ground and excited states. • The general pattern of electron structure of chloroethylenes was obtained. • Necessity of this data for chloroethylenes negative ions study was noted. - Abstract: B3LYP/6-311 + G(d,p) calculations of ground and electronically excited states of ethylene, chloroethylene, 1,1-dichloroethylene, 1,2-dichloroethylene-cis, 1,2-dichloroethylene-trans trichloroethylene and tetrachloroethylene molecules have been performed. Molecular orbitals images and orbital correlation diagram are given. The calculation results for chloroethylenes electronically excited states were compared with experimental data from the energy-loss spectra obtained and generally considered previously by C.F. Koerting, K.N. Walzl and A. Kupperman. Several new additional triplet and singlet transitions were pointed out in these spectra considering the calculation results. The finding of the additional transitions was supported by the UV absorption spectrum of trichloroethylene recorded in big cuvette (10 cm), where the first three triplet and two low-intensive forbidden singlet transitions were registered. The first triplet of this compound was recorded to be at the same energy as was found with the energy-loss spectroscopy

Electronically excited states of chloroethylenes: Experiment and DFT calculations in comparison

Energy Technology Data Exchange (ETDEWEB)

Khvostenko, O.G., E-mail: khv@mail.ru

2014-08-15

Highlights: • B3LYP/6-311 + G(d,p) calculations of chloroethylenes molecules were performed. • Calculations were correlated with experiment on the molecules ground and excited states. • The general pattern of electron structure of chloroethylenes was obtained. • Necessity of this data for chloroethylenes negative ions study was noted. - Abstract: B3LYP/6-311 + G(d,p) calculations of ground and electronically excited states of ethylene, chloroethylene, 1,1-dichloroethylene, 1,2-dichloroethylene-cis, 1,2-dichloroethylene-trans trichloroethylene and tetrachloroethylene molecules have been performed. Molecular orbitals images and orbital correlation diagram are given. The calculation results for chloroethylenes electronically excited states were compared with experimental data from the energy-loss spectra obtained and generally considered previously by C.F. Koerting, K.N. Walzl and A. Kupperman. Several new additional triplet and singlet transitions were pointed out in these spectra considering the calculation results. The finding of the additional transitions was supported by the UV absorption spectrum of trichloroethylene recorded in big cuvette (10 cm), where the first three triplet and two low-intensive forbidden singlet transitions were registered. The first triplet of this compound was recorded to be at the same energy as was found with the energy-loss spectroscopy.

Nanoscale coupling of photons to vibrational excitation of Ag nanoparticle 2D array studied by scanning tunneling microscope light emission spectroscopy.

Science.gov (United States)

Katano, Satoshi; Toma, Koji; Toma, Mana; Tamada, Kaoru; Uehara, Yoichi

2010-11-28

Scanning tunneling microscope light emission (STM-LE) spectroscopy has been utilized to elucidate the luminescence phenomena of Ag nanoparticles capped with myristate (myristate-capped AgNP) and 2-methyl-1-propanethiolate (C(4)S-capped AgNP) on the dodecanethiol-precovered Au substrate. The STM imaging revealed that myristate-capped AgNPs form an ordered hexagonal array whereas C(4)S-capped AgNPs show imperfect ordering, indicating that a shorter alkyl chain of C(4)S-capped AgNP is not sufficient to form rigid interdigitation. It should be noted that such a nanoparticle ordering affects the luminescence properties of the Ag nanoparticle. We found that the STM-LE is only detected from the Ag nanoparticles forming the two-dimensional superlattice. This indicates that the STM-LE of the Ag nanoparticle is radiated via the collective excitation of the local surface plasmon resonance (LSPR) spread over the Ag nanoparticles. Note that the STM-LE spectra of the Ag nanoparticles exhibit spike-like peaks superimposed on the broad light emission peak. Using Raman spectroscopy, we concluded that the spike-like structure appearing in the STM-LE spectra is associated with the vibrational excitation of the molecule embedded between Ag nanoparticles.

Electron excitation collision strengths for positive atomic ions: a collection of theoretical data

International Nuclear Information System (INIS)

Merts, A.L.; Mann, J.B.; Robb, W.D.; Magee, N.H. Jr.

1980-03-01

This report contains data on theoretical and experimental cross sections for electron impact excitation of positive atomic ions. It is an updated and corrected version of a preliminary manuscript which was used during an Atomic Data Workshop on Electron Excitation of Ions held at Los Alamos in November 1978. The current status of quantitative knowledge of collisional excitation collision strengths is shown for highly stripped ions where configuration mixing, relativistic and resonance effects may be important. The results show a reasonably satisfactory state for first-row isoelectronic ions and indicate that a considerable amount of work remains to be done for second-row and heavier ions

Coulomb excitation of neutron-rich $^{134-136}$Sn isotopes

CERN Multimedia

We propose to study excited states in the isotopes $^{134,136}$Sn by $\\gamma$-ray spectroscopy following "safe" Coulomb excitation. The experiment aims to investigate the evolution of quadrupole collectivity beyond the magic shell closure at N = 82 by the determination of B(E2) values and electric quadrupole moments $\\mathcal{Q}_2$. Recent shell-model calculations using realistic interactions predict possible enhanced collectivity in neutron-rich regions. Evidence for this could be obtained by this experiment. Furthermore, the currently unknown excitation energies of the 2$^+_{1}$ and 4$^+_{1}$ states in $^{136}$Sn will be measured for the first time.

Kinetic studies following state-selective laser excitation: Annual performance report for the period March 15, 1987-March 14, 1988

International Nuclear Information System (INIS)

Keto, J.W.

1987-11-01

The objective of this contract is the study of state-to-state, electronic energy transfer reactions following two-photon laser excitation. We have specifically been studying reactions of Xe 5p 5 6p because of their relevance to the XeCl excimer laser. We are studying deactivation reactions in collisions with heavy atoms such as Ar, Kr, and Xe and reactive collisions with chlorides. The reactants are excited by multiphoton laser absorption. Product channels are observed by their fluorescence, or in experiments in the coming months by laser induced fluorescence using a second color laser. Reaction rates are measured by observing the time dependent decay of signals from reactant and product channels. In addition we measure interaction potentials of the reactants by laser spectroscopy where the laser induced fluorescence or ionization is measured as a function of laser wavelength (excitation spectra) or by measuring fluorescence spectra at fixed laser frequencies with monochromators. The spectra are obtained in the form of either lineshapes or individual lines from rovibrational transitions of bound states. 4 figs

Exploring the vibrational fingerprint of the electronic excitation energy via molecular dynamics

International Nuclear Information System (INIS)

Deyne, Andy Van Yperen-De; Pauwels, Ewald; Ghysels, An; Waroquier, Michel; Van Speybroeck, Veronique; Hemelsoet, Karen; De Meyer, Thierry; De Clerck, Karen

2014-01-01

A Fourier-based method is presented to relate changes of the molecular structure during a molecular dynamics simulation with fluctuations in the electronic excitation energy. The method implies sampling of the ground state potential energy surface. Subsequently, the power spectrum of the velocities is compared with the power spectrum of the excitation energy computed using time-dependent density functional theory. Peaks in both spectra are compared, and motions exhibiting a linear or quadratic behavior can be distinguished. The quadratically active motions are mainly responsible for the changes in the excitation energy and hence cause shifts between the dynamic and static values of the spectral property. Moreover, information about the potential energy surface of various excited states can be obtained. The procedure is illustrated with three case studies. The first electronic excitation is explored in detail and dominant vibrational motions responsible for changes in the excitation energy are identified for ethylene, biphenyl, and hexamethylbenzene. The proposed method is also extended to other low-energy excitations. Finally, the vibrational fingerprint of the excitation energy of a more complex molecule, in particular the azo dye ethyl orange in a water environment, is analyzed

Fluororeflectometer for measuring the emission, excitation, reflection and transmission of materials doped with active ions

Energy Technology Data Exchange (ETDEWEB)

Ramírez-Duverger, Aldo S., E-mail: aldo@cifus.uson.mx [Departamento de Física, Universidad de Sonora, Apdo. Postal 5-88, Hermosillo, Sonora 83000, México (Mexico); García-Llamas, Raúl, E-mail: ragal@cifus.uson.mx [Departamento de Investigación en Física, Universidad de Sonora, Apdo. Postal 5-88, Hermosillo, Sonora 83000, México (Mexico); Aceves, R., E-mail: raceves@cifus.uson.mx [Departamento de Investigación en Física, Universidad de Sonora, Apdo. Postal 5-88, Hermosillo, Sonora 83000, México (Mexico)

2013-04-15

The design and construction of a new hybrid instrument, which is named a fluororeflectometer, for measuring the radiation from materials doped with rare earth atoms is presented. This instrument operates in two modes. In the XL-λ mode, the instrument measures the luminescence and excitation spectra of the samples. In the RT-λ mode, the instrument measures the specular reflection and transmission spectra of thick or thin films. A photomultiplier (UV-enhanced photodiode) is used when the XL-λ (RT-λ) mode is in operation. The angle of incidence on the sample and the angle of the detected emission can be changed in both modes; the first one is changed manually and the last one is changed automatically. The reflection and transmission spectra from slabs of KCl:Eu{sup 2+} were measured to test the RT-λ mode. These data were fitted using Lorentz-type dispersion for the material, and the densities for each Eu absorption bands were obtained. In the XL-λ mode, the luminescence and excitation spectra from a slab and thin film of KCl:Eu{sup 2+} were obtained. The sensitivity of the instrument enables the luminescence from thin films with thicknesses as low as 3 μm to be measured; in this case, the signal barely exceeded the noise. The emission spectra from a slab of KCl:Eu{sup 2+} for several angles of incidence were measured in the direction parallel to the interfaces of the slab. -- Highlights: ► Develops an instrument for measuring optical properties of phosphors materials. ► Emission, excitation, transmission and reflectance are measured in KCl:Eu{sup 2+} slabs. ► The angular distribution for the emission, measured in situ, is also characterized. ► Its performance was compared with other instruments and good agreement is found. ► Capabilities are found superior to those offered by commercial fluorometers.

Fluororeflectometer for measuring the emission, excitation, reflection and transmission of materials doped with active ions

International Nuclear Information System (INIS)

Ramírez-Duverger, Aldo S.; García-Llamas, Raúl; Aceves, R.

2013-01-01

The design and construction of a new hybrid instrument, which is named a fluororeflectometer, for measuring the radiation from materials doped with rare earth atoms is presented. This instrument operates in two modes. In the XL-λ mode, the instrument measures the luminescence and excitation spectra of the samples. In the RT-λ mode, the instrument measures the specular reflection and transmission spectra of thick or thin films. A photomultiplier (UV-enhanced photodiode) is used when the XL-λ (RT-λ) mode is in operation. The angle of incidence on the sample and the angle of the detected emission can be changed in both modes; the first one is changed manually and the last one is changed automatically. The reflection and transmission spectra from slabs of KCl:Eu 2+ were measured to test the RT-λ mode. These data were fitted using Lorentz-type dispersion for the material, and the densities for each Eu absorption bands were obtained. In the XL-λ mode, the luminescence and excitation spectra from a slab and thin film of KCl:Eu 2+ were obtained. The sensitivity of the instrument enables the luminescence from thin films with thicknesses as low as 3 μm to be measured; in this case, the signal barely exceeded the noise. The emission spectra from a slab of KCl:Eu 2+ for several angles of incidence were measured in the direction parallel to the interfaces of the slab. -- Highlights: ► Develops an instrument for measuring optical properties of phosphors materials. ► Emission, excitation, transmission and reflectance are measured in KCl:Eu 2+ slabs. ► The angular distribution for the emission, measured in situ, is also characterized. ► Its performance was compared with other instruments and good agreement is found. ► Capabilities are found superior to those offered by commercial fluorometers