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Sample records for inelastic scattering study

  1. Inelastic Neutron Scattering Study of Mn

    SciTech Connect

    Zhong, Y.; Sarachik, M.P.; Friedman, J.R.; Robinson, R.A.; Kelley, T.M.; Nakotte, H.; Christianson, A.C.; Trouw, F.; Aubin, S.M.J.; Hendrickson, D.N.

    1998-11-09

    The authors report zero-field inelastic neutron scattering experiments on a 14-gram deuterated sample of Mn{sub 12}-Acetate consisting of a large number of identical spin-10 magnetic clusters. Their resolution enables them to see a series of peaks corresponding to transitions between the anisotropy levels within the spin-10 manifold. A fit to the spin Hamiltonian H = {minus}DS{sub z}{sup 2} + {mu}{sub B}B{center_dot}g{center_dot}S-BS{sub z}{sup 4} + C(S{sub +}{sup 4} + S{sub {minus}}{sup 4}) yields an anisotropy constant D = (0.54 {+-} 0.02) K and a fourth-order diagonal anisotropy coefficient B = (1.2 {+-} 0.1) x 10{sup {minus}3}K. Unlike EPR measurements, their experiments do not require a magnetic field and yield parameters that do not require knowledge of the g-value.

  2. Inelastic X-ray Scattering Studies of Electronic Excitations

    NASA Astrophysics Data System (ADS)

    Ishii, Kenji; Tohyama, Takami; Mizuki, Jun'ichiro

    2013-02-01

    Inelastic x-ray scattering (IXS) has developed into one of the most powerful momentum-resolved spectroscopies. Especially in the last decade, it has achieved significant progress utilizing brilliant x-rays from third-generation synchrotron radiation facilities. Simultaneously, theoretical efforts have been made to predict or interpret the experimental spectra. One of the scientific fields studied intensively by IXS is strongly correlated electron systems, where the interplay of charge, spin, and orbital degrees of freedom determines their physical properties. IXS can provide a new insight into the electron dynamics of the systems through the observation of charge, spin, and orbital excitations. Focusing on the momentum-resolved electronic excitations in strongly correlated electron systems, we review IXS studies and the present capabilities of IXS for the study of the dynamics of materials. With nonresonant inelastic x-ray scattering (NIXS), one can directly obtain dynamical charge correlation and we discuss its complementary aspects with inelastic neutron scattering. NIXS also has a unique capability of measuring higher multipole transitions, which are usually forbidden in conventional optical absorption. Resonant inelastic x-ray scattering (RIXS) is now established as a valuable tool for measuring charge, spin, and orbital excitations in a momentum-resolved manner. We describe RIXS works on cuprates in detail and show what kind of electronic excitations have been observed. We also discuss RIXS studies on other transition-metal compounds. Finally, we conclude with an outlook on IXS using next-generation x-ray sources.

  3. Inelastic neutron scattering studies of novel quantum magnets

    NASA Astrophysics Data System (ADS)

    Plumb, Kemp W.

    Inelastic neutron scattering was used to study the magnetic excitation spectrum of three quantum magnets: (i) the double perovskite Ba2FeReO 6; (ii) the two-dimensional square lattice Heisenberg antiferromagnet Sr2CuO2Cl2; and (iii) the quasi-two-dimensional frustrated two-leg ladder BiCu2PO6. We have conducted inelastic neutron scattering measurements on powder samples of the double perovskite compound Ba2FeReO6. The measurements revealed two well defined dispersing spin wave modes. No excitation gap was observable and the spectrum can be explained with a local moment model incorporating the interactions of Fe spins with spin-orbital locked degrees of freedom on the Re site. The results reveal that both significant electronic correlations and spin-orbit coupling on the Re site play a significant role in the spin dynamics of Ba2FeReO6. High resolution neutron scattering measurements of magnetic excitations in the parent cuprate Sr2CuO2Cl2 reveal a significant dispersion and momentum dependent damping of the zone boundary magnons. We directly compare our measurements with previous resonant inelastic x-ray scattering measurements and find a ~25 meV discrepancy between the two techniques for the measured zone boundary energy at (1/2, 0). The deviations are greatest precisely in the region of phase space where the magnon damping is strongest. This comparison shows that the inelastic x-ray spectrum must contain significant contributions from higher energy excitations not previously considered. Our measurements demonstrate that the high energy continuum of magnetic fluctuations is a ubiquitous feature of the magnetic spectrum among insulating monolayer cuprates, and that these excitations couple to both inelastic neutron and light scattering. A comprehensive series of inelastic neutron scattering measurements was used to investigate spin excitations in the frustrated two-leg ladder compound BiCu2PO6. The measurements revealed six branches of steeply dispersing triplon

  4. Studies of toxic aerosols via elastic and inelastic light scattering

    SciTech Connect

    Foss, W.; Li, W.; Allen, T.M.; Blair, D.S.; Davis, E.J. )

    1993-02-01

    Evaporation rates and chemical characteristics of potentially toxic aerosols have been determined by elastic and inelastic light-scattering measurements. The aerosol systems examined were a commercial catalyst consisting of a mixture of stannous octanoate (SNO) and 2-ethylhexanoic acid (EHA) and droplets emitted from open tanks of chromic acid solutions used for anodizing aluminum. The heavy metals contained in these aerosols represent a danger to the workplace if such materials are inhaled. Nanogram amounts of the solutions were studied by suspending single microdroplets in electrodynamic balances in a flow of air to measure evaporation rates and to obtain Raman spectra. Elastic scattering data include phase functions and morphological resonance spectra from which droplet sizes are determined. The inelastic light-scattering data or Raman spectra provide molecular vibrational bond information. It was found that EHA spectra agree with bulk data in the literature, and that SNO Raman spectra, which are not available in the literature, are consistent with infrared spectra for bulk SNO. At room temperature the vapor pressure of SNO is on the order of 0.01 Pa while that of EHA is on the order of 0.1 Pa. Raman data for the residue of evaporated chromic acid solutions show the presence of chromium oxides (Cr[sup 6+] compounds), surfactants, and bound (nonvolatile) water. 31 refs., 14 figs.

  5. Inelastic proton scattering of Sn isotopes studied with GRETINA

    NASA Astrophysics Data System (ADS)

    Campbell, Christopher

    2014-03-01

    The chain of semi-magic Sn nuclei, with many stable isotopes, has been a fertile ground for experimental and theoretical studies. Encompassing a major neutron shell from N = 50 to 82, the properties and structure of these nuclei provided important data for the development of the pairing-plus-quadrupole model. Recent experimental information on B(E2) for 106,108,110,112Sn came as a surprise as it indicated a larger collectivity than the predicted parabolic trend of quadrupole collectivity. These data, instead, show an unexpectedly flat trend even as the number of valence particles is reduced from 12 to 6. To fully understand how collectivity is evolving in these isotopes, 108,110,112Sn have been studied using thick-target, inelastic proton scattering with GRETINA tagging inelastic scattering events by detecting gamma-rays from the prompt decay of states excited in the reaction. We will present the trend of 2 + excitation cross-sections, the deduced quadrupole deformation parameters, and observations of other low-lying collective states. Comparison of these (p,p') quadrupole deformation parameters with B(E2) data will provide new insights into the relative importance of proton and neutron contributions to collectivity in these nuclei. GRETINA was funded by the US DOE - Office of Science. Operation of the array at NSCL is supported by NSF under Cooperative Agreement PHY-1102511(NSCL) and DOE under grant DE-AC02-05CH11231(LBNL).

  6. Collective microdynamics of liquid lithium: An inelastic neutron scattering study

    NASA Astrophysics Data System (ADS)

    Blagoveshchenskiĭ, N. M.; Novikov, A. G.; Savostin, V. V.

    2010-05-01

    A portion of the dispersion curve for collective modes in liquid lithium has been constructed from experimental data on inelastic scattering of slow neutrons obtained on the DIN-2PI neutron spectrometer (IBR-2 reactor, Joint Institute for Nuclear Research, Dubna, Russia). Measurements have been performed at a temperature of 500 K ( T m (Li) = 453.7 K). The coherent scattering component has been separated from the experimental spectra and analyzed. Information on the characteristics of collective excitations in liquid lithium has been derived.

  7. Inelastic Scattering Form Factors

    Energy Science and Technology Software Center (ESTSC)

    1992-01-01

    ATHENA-IV computes form factors for inelastic scattering calculations, using single-particle wave functions that are eigenstates of motion in either a Woods-Saxon potential well or a harmonic oscillator well. Two-body forces of Gauss, Coulomb, Yukawa, and a sum of cut-off Yukawa radial dependences are available.

  8. Inelastic X-ray Scattering Studies of Zeolite Collapse

    SciTech Connect

    Greaves, G. Neville; Kargl, Florian; Ward, David; Holliman, Peter; Meneau, Florian

    2009-01-29

    In situ inelastic x-ray scattering (IXS) experiments have been used to probe heterogeneity and deformability in zeolte Y as this thermally collapses to a high density amorphous (HDA) aluminosilicate phase. The Landau-Placzek ratio R{sub LP} falls slowly as amorphisation advances, increasing in the later stages of collapse clearly showing how homogeneity improves non-linearly--behaviour linked closely with the decline in molar volume V{sub Molar}. The Brillouin frequency {omega}{sub Q} also decreases with amorphisation in a similar fashion, signifying a non-uniform decrease in the speed of sound v{sub l}. All of these changes with zeolite amorphisation infer formation of an intermediate low density amorphous (LDA) phase. This low entropy or 'perfect glass' has mechanical properties which are closer to the zeolite rather to the HDA glass--notably a very small value of Poisson's Ratio signifying unusually low resistance to deformation.

  9. Study of Low Energy Electron Inelastic Scattering Mechanisms Using Spin Sensitive Techniques

    NASA Astrophysics Data System (ADS)

    Hsu, Hongbing

    1995-01-01

    Spin sensitive electron spectroscopies were used to study low energy electron inelastic scattering from metal surfaces and thin films. In these experiments, a beam of spin polarized electrons from a GaAs source is directed on the sample surface, and the spin polarization and intensity are measured as a function of energy loss and scattering angle by a Mott electron polarimeter coupled with a concentric hemispherical energy analyzer. Systematic studies of the angular dependence of inelastically scattered electrons were conducted on a Cu(100) surface, and Mo/Cu(100), non-magnetized Fe/Cu(100), and Co/Cu(100) films. The polarization and intensity of scattered electrons were measured as function of energy loss and scattering angle. Further studies were also conducted on Ag(100) surface and amorphous Cu/Ag(100) films. From the experimental results, the angular distributions of dipole and impact scattered electrons can be determined individually and both are found to peak in the specular scattering direction. Preliminary studies were conducted on magnetized Co/Cu(100) films. The spin dependent scattering intensity asymmetry was measured, with a clearly observable peak at energy loss of ~1 eV, which coincides with the band splitting. The polarizations of secondary electrons produced by an unpolarized primary beam were also measured. The polarizations can be related to the band polarization of magnetized cobalt films.

  10. Structure and dynamics of cadmium telluride studied by x-ray and inelastic neutron scattering

    SciTech Connect

    Niedziela, Jennifer L; Stone, Matthew B

    2014-01-01

    We present a combined study of density functional theory, x-ray diffraction, and inelastic neutron scattering examining the temperature dependent structure and lattice dynamics of commercially available cadmium telluride. A subtle change in the structure is evinced near 80~K, which manifests also in the measured phonon density of states. There is no change to the long-range ordered structure. The implications of the change in relation to structural defects are discussed.

  11. Structure and dynamics of cadmium telluride studied by x-ray and inelastic neutron scattering

    SciTech Connect

    Niedziela, J. L.; Stone, M. B.

    2014-09-08

    We present a combined study of density functional theory, x-ray diffraction, and inelastic neutron scattering examining the temperature dependent structure and lattice dynamics of commercially available cadmium telluride. A subtle change in the structure is evinced near 80 K, which manifests also in the measured phonon density of states. There is no change to the long-range ordered structure. The implications of the change in relation to structural defects are discussed.

  12. Anomalous vibrational modes in acetanilide as studied by inelastic neutron scattering

    NASA Astrophysics Data System (ADS)

    Barthes, Mariette; Eckert, Juegen; Johnson, Susanna W.; Moret, Jacques; Swanson, Basil I.; Unkefer, Clifford J.

    1992-10-01

    A study of the anomalous modes in acetanilide and five deuterated derivatives by incoherent inelastic neutron scattering is reported. These data show that the dynamics of the amide and methyl groups influence each other. In addition, the anomalous temperature behaviour of the NH out-of-plane bending mode is confirmed. These observations suggest that the self-trapping mechanism in ACN may be more complex than hitherto assumed.

  13. Molecular-dynamics study of ionic motions and neutron inelastic scattering in α-AgI

    NASA Astrophysics Data System (ADS)

    Chiarotti, Guido L.; Jacucci, G.; Rahman, A.

    1986-11-01

    Contrary to the current interpretation of inelastic-neutron-scattering data on α-AgI, molecular-dynamics calculations show that inelastic neutron scattering is dominated by coherent scattering from Ag+ ions. The calculations agree with the available data. Ag+ ions diffuse by jumps between tetrahedral sites, the consequences being in complete accord with the Chudley-Elliot model only if the full geometrical complexity of these sites is included. Phonon modes due to I- motions are predicted for certain wave vectors.

  14. Study of the soft dipole modes in 140Ce via inelastic scattering of 17O

    NASA Astrophysics Data System (ADS)

    Krzysiek, M.; Kmiecik, M.; Maj, A.; Bednarczyk, P.; Ciemała, M.; Fornal, B.; Grȩbosz, J.; Mazurek, K.; Mȩczyński, W.; Ziȩbliński, M.; Crespi, F. C. L.; Bracco, A.; Benzoni, G.; Blasi, N.; Boiano, C.; Bottoni, S.; Brambilla, S.; Camera, F.; Giaz, A.; Leoni, S.; Million, B.; Morales, A. I.; Nicolini, R.; Pellegri, L.; Riboldi, S.; Vandone, V.; Wieland, O.; De Angelis, G.; Napoli, D. R.; Valiente-Dobon, J. J.; Bazzacco, D.; Farnea, E.; Gottardo, A.; Lenzi, S.; Lunardi, S.; Mengoni, D.; Michelagnoli, C.; Recchia, F.; Ur, C.; Gadea, A.; Huyuk, T.; Barrientos, D.; Birkenbach, B.; Geibel, K.; Hess, H.; Reiter, P.; Steinbach, T.; Wiens, A.; Bürger, A.; Görgen, A.; Guttormsen, M.; Larsen, A. C.; Siem, S.

    2014-05-01

    The main aim of this study was a deeper understanding of the nuclear structure properties of the soft dipole modes in 140Ce, excited via inelastic scattering of weakly bound 17O projectiles. An important aim was to investigate the ‘splitting’ of the PDR into two parts: a low-energy isoscalar component dominated by neutron-skin oscillations and a higher-energy component lying on the tail of the giant dipole resonance of a rather isovector character. This was already observed for this nucleus, investigated in (α, α‧) and (γ, γ‧) experiments. The experiment was performed at Laboratori Nazionali di Legnaro, Italy. Inelastic scattering of 17O ion beam at 20 MeV A-1 was used to excite the resonance modes in the 140Ce target. Gamma-rays were registered by five triple clusters of AGATA-Demonstrator and nine large volume scintillators (LaBr3). The scattered 17O ions were identified by two ΔE - E Si telescopes of the TRACE array mounted inside the scattering chamber. The telescopes consisted of two segmented Si-pad detectors, each of 60 pixels. Very preliminary data have shown a strong domination of the E1 transitions in the ‘pygmy’ region with a character more similar to the one obtained in alpha scattering experiment.

  15. High-frequency collective excitations in molten and glassy Te studied by inelastic neutron scattering

    SciTech Connect

    Ruiz-Martin, M. D.; Jimenez-Ruiz, M.; Bermejo, F. J.

    2006-03-01

    The spectra of collective excitations of liquid and glassy tellurium have been studied by means of inelastic neutron scattering. Here we report on the dynamics of liquid Te as measured at two different temperatures, just above melting (T{sub m}=723 K) and at {approx}1000 K as well as the glass that is studied at room temperature. Estimates for the velocity of propagating excitations for both temperatures have been obtained from the experimental data, and a contrasting behavior is found with respect to anomalies shown by the adiabatic sound velocity measured by ultrasound methods. The origin of such differences is finally discussed.

  16. Resonant inelastic x-ray scattering studies of the organic semiconductor copper phthalocyanine

    SciTech Connect

    Kodituwakku, C. N.; Burns, C. A.; Said, A. H.; Sinn, H.; Wang, X.; Gog, T.; Casa, D. M.; Tuel, M.; Western Michigan Univ.; DESY, Hasylab

    2008-01-01

    We report resonant inelastic x-ray scattering (RIXS) measurements on polycrystalline and single crystal samples of the organic semiconductor {beta}-copper phthalocyanine (CuPc) as well as time dependent density functional theory calculations of the electronic properties of the CuPc molecule. Resonant and nonresonant excitations were measured along the three crystal axes with 120 meV resolution. We observe molecular excitations as well as charge-transfer excitons along certain crystal directions and compare our data with the calculations. Our results demonstrate that RIXS is a powerful tool for studying excitons and other electronic excitations in organic semiconductors.

  17. A pressure cell for nonresonant inelastic x-ray scattering studies of gas phases

    SciTech Connect

    Minzer, M.; Bradley, J. A.; Musgrave, R.; Seidler, G. T.; Skilton, A.

    2008-08-15

    We report the design and performance of a gas-phase sample cell for measurements of momentum transfer (q) dependent nonresonant inelastic x-ray scattering (NRIXS). NRIXS measurements from He gas at 2 MPa (20 bars) readily demonstrate dipole-allowed and dipole-forbidden final states for two-electron excitations. Direct comparison of gas-phase NRIXS measurements with the corresponding nonresonant electron energy loss spectroscopy results (EELS) will be a valuable method for characterizing systematic errors in either technique for studies that require absolute normalization of the double differential cross section.

  18. Study of inelastic contribution in the 7Be + p scattering experiment at CRIB

    SciTech Connect

    Amadio, G.; Yamaguchi, H.; He, J. J.; Saito, A.; Wakabayashi, Y.; Fujikawa, H.; Kubono, S.; Khiem, L. H.; Kwon, Y. K.; Teranishi, T.; Nishimura, S.; Togano, Y.; Niikura, M.; Iwasa, N.; Inafuku, S.

    2006-07-12

    The 7Be(p,{gamma})8B reaction is undoubtfully important to the understanding of the solar model. As a step in the direction of improving the accuracy of the S17 astrophysical factor, a study of the 7Be + p scattering was performed with the thick target method at the CRIB facility. In addition to its astrophysical significance, this reaction is also useful to clarify the nuclear structure of 8B. A primary beam of 7Li and a hydrogen gas target were used to produce a 7Be secondary beam at 7.69 MeV/u. This was the first time in which {gamma}-rays were measured in coincidence with protons, and we have successfully measured the inelastic contribution to the scattering cross section.

  19. Multiple Scattering Theory for Inelastic Processes

    NASA Astrophysics Data System (ADS)

    Braun, V. M.; Shabelski, Yu. M.

    The review is devoted to the description of inelastic interactions of composite systems in the framework of the multiple scattering approach. Quasielastic scattering and multiple hadron production processes are considered for hadron-hadron, hadron-nucleus, and nucleus-nucleus collisions at high energies. We show that important information on inelastic processes follows on very general grounds from the classification of various intermediate states in the elastic amplitude, as similarly AGK cutting rules arise for reggeon diagrams. Attention is mainly given to the appropriate technique, which is illustrated with several examples of increasing complexity. The general formalism for the inelastic screening corrections is presented and its particular applications to various reactions. The review does not aim at the systematic study of numerous versions of the multiple scattering calculus confronting each other and to the extensive experimental data. Instead, we concentrate on a few simple examples to make clear the underlying physics and to work out the needed machinery employed in practical calculations.

  20. Inelastic Neutron Scattering Studies of the Dynamics of Glass-Forming Materials in Confinement

    NASA Astrophysics Data System (ADS)

    Zorn, Reiner

    2015-03-01

    The study of the dynamics of glass-forming liquids in nanoscopic confinement may contribute to the understanding of the glass transition. Especially, the question of a cooperativity length scale may be addressed. In this presentation, results obtained by inelastic neutron scattering are presented. The first experiments were done to study the α relaxation of glass-forming liquids and polymers in nanoporous silica. Neutron scattering is a suitable method to study such composite materials because the scattering of the liquid component can be emphasized by proper choice of isotopes. By combining time-of-flight spectroscopy and backscattering spectroscopy it is possible to cover the large dynamical range spanned by the dynamics of glass-forming materials. The experiments demonstrated a broadening of the spectrum of relaxation times with faster as well as slower components compared to the bulk. In later experiments `soft' confinement in a microemulsion was used to reduce surface effects. In this system a definite acceleration of the dynamics was observed. In all cases the glass-specific fast vibrational dynamics (boson peak) was also studied, revealing a characteristic confinement dependence which allows conclusions on its nature. Finally, studies were carried out on polymers by neutron spin echo spectroscopy with the aim of observing the confinement effect on polymer specific dynamics (Rouse motion). These studies showed that a comparatively simple model is able to explain the deviation from bulk behavior.

  1. Miscibility gap and phonon thermodynamics of Fe-Au alloys studied by inelastic neutron scattering and nuclear-resonant inelastic x-ray scattering

    SciTech Connect

    Muñoz, Jorge A.; Fultz, Brent

    2015-07-23

    Recent measurements of the phonon spectra of several Au-rich alloys of face-centered-cubic Fe-Au using inelastic neutron scattering and nuclear-resonant inelastic x-ray scattering are summarized. The Wills-Harrison model, accounting for charge transfer upon alloying, is used to explain the observed negative excess vibrational entropy of mixing, which increases the miscibility gap temperature in the system by an estimated maximum of 550 K and we adjudicate to a charge transfer from the Fe to the Au atoms that results in an increase in the electron density in the free-electron-like states and in stronger sd-hybridization. When Au is the solvent, this softens the Fe–Fe bonds but stiffens the Au–Au and Au–Fe bonds which results in a net stiffening relative to the elemental components.

  2. Parity violation in deep inelastic scattering

    SciTech Connect

    Souder, P.

    1994-04-01

    AA beam of polarized electrons at CEBAF with an energy of 8 GeV or more will be useful for performing precision measurements of parity violation in deep inelastic scattering. Possible applications include precision tests of the Standard Model, model-independent measurements of parton distribution functions, and studies of quark correlations.

  3. Inelastic Neutron Scattering Study of Ce3Sn and Ce3In

    NASA Astrophysics Data System (ADS)

    Wang, C. H.; Lawrence, J. M.; Christianson, A. D.; Goremychkin, E. A.; Bauer, E. D.; de Souza, N. R.; Kolesnikov, A. I.

    2009-03-01

    In Ce3Sn and Ce3In, the linear coefficients of specific heat γ are 260 mJ/mol Ce-K^2 and 700 mJ/mol Ce-K^2, respectively. The Wilson ratio is 7.0 for Ce3Sn and 11.5 for Ce3In. Such large values suggest the presence of ferromagnetic correlations in the ground state. Hence, this system is a potential candidate for studying the magnetic instability at a quantum critical point (QCP). As an initial measurement, we have measured the magnetic inelastic neutron scattering line shape of polycrystalline samples to determine the crystal field (CF) excitations. The low temperature spectrum of both Ce3Sn and Ce3In consist of a quasi- elastic line and two obvious inelastic lines resulting from the two excited crystal field doublets of Ce^3+ in the tetragonal symmetry. The quasi-elastic linewidth,which is related to the Kondo scale, is 3.2meV for Ce3Sn and 1.5meV for Ce3In, consistent with the linear coefficients of specific heat. For Ce3Sn the two CF excitations are at 20meV and 35meV while for Ce3In, the splitting is much larger giving the two excitations at 15meV and 47meV.

  4. Magnetic relaxation studies on a single-molecule magnet by time-resolved inelastic neutron scattering

    NASA Astrophysics Data System (ADS)

    Waldmann, O.; Carver, G.; Dobe, C.; Biner, D.; Sieber, A.; Güdel, H. U.; Mutka, H.; Ollivier, J.; Chakov, N. E.

    2006-01-01

    Time-resolved inelastic neutron scattering measurements on an array of single-crystals of the single-molecule magnet Mn12ac are presented. The data facilitate a spectroscopic investigation of the slow relaxation of the magnetization in this compound in the time domain.

  5. 4 f excitations in Ce Kondo lattices studied by resonant inelastic x-ray scattering

    NASA Astrophysics Data System (ADS)

    Amorese, A.; Dellea, G.; Fanciulli, M.; Seiro, S.; Geibel, C.; Krellner, C.; Makarova, I. P.; Braicovich, L.; Ghiringhelli, G.; Vyalikh, D. V.; Brookes, N. B.; Kummer, K.

    2016-04-01

    The potential of resonant inelastic soft x-ray scattering to measure 4 f crystal electric-field excitation spectra in Ce Kondo lattices has been examined. Spectra have been obtained for several Ce systems and show a well-defined structure determined by crystal-field, spin-orbit, and charge-transfer excitations only. The spectral shapes of the excitation spectra can be well understood in the framework of atomic multiplet calculations. For CeCu2Si2 we found notable disagreement between the inelastic x-ray-scattering spectra and theoretical calculations when using the crystal-field scheme proposed from inelastic neutron scattering. Modified sets of crystal-field parameters yield better agreement. Our results also show that, with the very recent improvements of soft x-ray spectrometers in resolution to below 30 meV at the Ce M4 ,5 edges, resonant inelastic x-ray scattering could be an ideal tool to determine the crystal-field scheme in Ce Kondo lattices and other rare-earth compounds.

  6. Resonant Inelastic X-ray Scattering Study of the Electronic Structure of Cu2O

    SciTech Connect

    Hill, J.P.; Kim, Y.-J.; Yamaguchi, H.; Gog, T.; Casa, D.

    2010-05-15

    A resonant inelastic x-ray scattering study of the electronic structure of the semiconductor cuprous oxide, Cu{sub 2}O, is reported. When the incident x-ray energy is tuned to the CuK-absorption edge, large enhancements of the spectral features corresponding to the electronic transitions between the valence band and the conduction band are observed. A feature at 6.5 eV can be well described by an interband transition from occupied states of mostly Cu3d character to unoccupied states with mixed 3d, 4s, and O2p character. In addition, an insulating band gap is observed, and the momentum dependence of the lower bound is measured along the {Gamma}-R direction. This is found to be in good agreement with the valence-band dispersion measured with angle-resolved photoemission spectroscopy.

  7. Collective dynamics in fully hydrated phospholipid bilayers studied by inelastic x-ray scattering.

    PubMed

    Chen, S H; Liao, C Y; Huang, H W; Weiss, T M; Bellisent-Funel, M C; Sette, F

    2001-01-22

    The short wavelength density fluctuation of DLPC (dilaurylphosphatidylcholine) bilayers close to full hydration has been studied by the inelastic x-ray scattering technique below and above the main transition temperature. The analysis based on a generalized three effective eigenmode theory allows us to construct the dispersion relation of the high frequency sound mode for the first time. The marked softening of the excitation near k = 14 nm(-1), corresponding to the lipid chain-chain correlation peak in the structure factor, in the L(alpha) phase implies prevalent occurrences of short-wavelength in-plane motions of lipid chains that might be of importance for transportation of small molecules across membranes. PMID:11177926

  8. Inelastic scattering of atoms in a double well

    SciTech Connect

    Annibale, E. S.; Fialko, O.; Ziegler, K.

    2011-04-15

    We study a mixture of two light spin-1/2 fermionic atoms and two heavy atoms in a double-well potential. Inelastic scattering processes between both atomic species excite the heavy atoms and renormalize the tunneling rate and the interaction of the light atoms (polaron effect). The effective interaction of the light atoms changes its sign and becomes attractive for strong inelastic scattering. This is accompanied by a crossing of the energy levels from singly occupied sites at weak inelastic scattering to a doubly occupied and an empty site for stronger inelastic scattering. We are able to identify the polaron effect and the level crossing in the quantum dynamics.

  9. Field and temperature dependence of electromagnon scattering in TbMnO3 studied by inelastic neutron scattering

    NASA Astrophysics Data System (ADS)

    Holbein, S.; Steffens, P.; Finger, T.; Komarek, A. C.; Sidis, Y.; Link, P.; Braden, M.

    2015-01-01

    Inelastic neutron scattering techniques have been used to study the field-induced multiferroic transition and the temperature dependence of magnetic excitations in TbMnO3. The significant changes in the spin-wave spectra across the field-induced transition perfectly agree with a rotation of the cycloidal spiral plane and with efficient pinning in the commensurate high-field phase. Further analysis of the Q dependence allows the identification of an electromagnon in the multiferroic high-field phase whose energy and polarization precisely matches previous infrared data. This and the zero-field temperature dependence of a zone-center magnon, which exactly agrees with that of an optically detected excitation, document that the inverse Dzyaloshinskii-Moriya interaction induces an electromagnon hybrid excitation in TbMnO3.

  10. Study of the magnon spectrum in FeV2O4 using inelastic light scattering

    NASA Astrophysics Data System (ADS)

    Gim, Y.; Gleason, S.; Byrum, T.; MacDougall, G. J.; Zhou, H. D.; Cooper, S. L.

    2014-03-01

    The interplay between orbital, spin and lattice dynamics create a rich environment for the study of novel properties and phases. Transition metal oxides with a spinel structure, AB2O4 are excellent systems in which to explore the interplay among these dynamics: By substituting on the A and B sites with various elements, various phenomena and ground states can be explored. FeV2O4 is a special spinel with two orbital-active A - and B - site cations. This material exhibits interesting magnetic and structural phenomena, such as multiferroic behavior and a strong dependence of its physical properties on external stimuli such as pressure and magnetic field. In this talk, we present an inelastic light (Raman) scattering study of the temperature- and magnetic field-dependence of the magnon spectrum of FeV2O4 . We compare these results to of the magnon spectrum of MnV2O4 in order to examine the role of A-site substitution on the spin dynamics. Research was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering under Award DE-FG02-07ER46453.

  11. Deep and shallow inelastic scattering

    SciTech Connect

    Ray, Heather

    2015-05-15

    In this session we focused on the higher energy deep and shallow inelastic particle interactions, DIS and SIS. DIS interactions occur when the energy of the incident particle beam is so large that the beam is able to penetrate the nucleons inside of the target nuclei. These interactions occur at the smallest level possible, that of the quark-gluon, or parton, level. SIS interactions occur in an intermediate energy range, just below the energy required for DIS interactions. The DIS cross section formula contains structure functions that describe our understanding of the underlying parton structure of nature. The full description of DIS interactions requires three structure functions: two may be measured in charged lepton or neutrino scattering, but one can only be extracted from neutrino DIS data. There are reasons to expect that the impact of nuclear effects could be different for neutrinos engaging in the DIS interaction, vs those felt by leptons. In fact, fits by the nCTEQ collaboration have found that the neutrino-Fe structure functions appear to differ from those extracted from lepton scattering data [1]. To better understand the global picture of DIS and SIS, we chose a three-pronged attack that examined recent experimental results, data fits, and latest theory predictions. Experimental results from neutrino and lepton scattering, as well as collider experiments, were presented.

  12. Inelastic Neutron Scattering studies of pure and Mo doped VO2

    NASA Astrophysics Data System (ADS)

    Banerjee, Arnab; Granroth, Garrett E.; Yiu, Yuen; Aczel, Adam A.; Koleshnikov, Alexander I.; Luo, Huxia; Cava, Robert J.; Nagler, Stephen E.; Princeton University Collaboration; Sequoia Team

    2014-03-01

    For the last half-century VO2 has been viewed as an archetypal system for studying the metal-insulator transition (MIT). Moreover, there is currently intense interest in this material arising from its promising use in fast energy efficient electronic devices. There are key unresolved issues connected with the origin of the MIT, including the role of magnetism arising from the S =1/2 V4+ ions. It is known that below 340 K in undoped VO2 the V ions form structural dimers in the insulating M1 monoclinic phase. Here we report the results of new inelastic neutron scattering measurements of VO2 and V0.75Mo0.25O2. Using the SEQUOIA chopper spectrometer at the SNS possible lattice and magnetic excitations for energies up to 600 meV were investigated. We discuss the results in the context of current ideas concerning the MIT in VO2. The research at ORNL is supported by the DOE BES, Division of Scientific User Facilities. Work at Princeton University is supported by the DOE grant number DE-FG02-98ER45706.

  13. Structural and dynamical properties of chlorinated hydrocarbons studied with resonant inelastic x-ray scattering.

    PubMed

    Bohinc, R; Žitnik, M; Bučar, K; Kavčič, M; Carniato, S; Journel, L; Guillemin, R; Marchenko, T; Kawerk, E; Simon, M; Cao, W

    2016-04-01

    We present a theoretical and experimental study of resonant inelastic x-ray scattering on a large group of chlorinated hydrocarbons: CH3Cl, CH2Cl2, CHCl3, CCl4, CH3CH2Cl, ClCH2CH2Cl, CH3CHCl2, CH3CCl3, C2H2Cl2-iso, C2H2Cl2-cis, C2H2Cl2-trans, and C6H5Cl. Differences in structural and dynamical properties of the molecules generated by diverse chemical environments are observed in the measured Cl(Kα) spectral maps as well as in the Cl(K) total fluorescence yield spectra. The energy position, relative intensity, and the width of the Franck-Condon distribution of low-lying σ(∗) and π(∗) resonances are extracted by a fitting procedure taking into account the experimental broadening. The theoretical values obtained with the transition potential and Δ Kohn-Sham methods are in good agreement with the experimental parameters indicating subtle differences due to variations in the molecular structure. PMID:27059572

  14. Structural and dynamical properties of chlorinated hydrocarbons studied with resonant inelastic x-ray scattering

    NASA Astrophysics Data System (ADS)

    Bohinc, R.; Žitnik, M.; Bučar, K.; Kavčič, M.; Carniato, S.; Journel, L.; Guillemin, R.; Marchenko, T.; Kawerk, E.; Simon, M.; Cao, W.

    2016-04-01

    We present a theoretical and experimental study of resonant inelastic x-ray scattering on a large group of chlorinated hydrocarbons: CH3Cl, CH2Cl2, CHCl3, CCl4, CH3CH2Cl, ClCH2CH2Cl, CH3CHCl2, CH3CCl3, C2H2Cl2-iso, C2H2Cl2-cis, C2H2Cl2-trans, and C6H5Cl. Differences in structural and dynamical properties of the molecules generated by diverse chemical environments are observed in the measured Cl(Kα) spectral maps as well as in the Cl(K) total fluorescence yield spectra. The energy position, relative intensity, and the width of the Franck-Condon distribution of low-lying σ∗ and π∗ resonances are extracted by a fitting procedure taking into account the experimental broadening. The theoretical values obtained with the transition potential and Δ Kohn-Sham methods are in good agreement with the experimental parameters indicating subtle differences due to variations in the molecular structure.

  15. Inelastic neutron scattering study of Pt(II) complexes displaying anticancer properties.

    PubMed

    de Carvalho, Luís A E Batista; Marques, M Paula M; Martin, Christine; Parker, Stewart F; Tomkinson, John

    2011-05-01

    The well-known platinum(II) chemotherapeutic drugs cisplatin [cis-(NH(3))(2)PtCl(2)] and carboplatin [Pt(NH(3))(2)C(6)O(4)H(6)], as well as the analogous transplatin [trans-(NH(3))(2)PtCl(2)], were studied by inelastic neutron scattering (INS) spectroscopy, coupled to quantum mechanical methods, and some ancillary work with X-ray diffraction on powders. An assignment of the experimental spectra was carried out based on the calculated INS transition frequencies and intensities (at the DFT level), thereby achieving a good correspondence between the calculated and observed data. Unusually good-quality INS spectra were obtained from about 250 mg, which is the smallest sample of a hydrogenous compound for which a successful INS interpretation has been reported. The knowledge of the local configuration of this kind of complexes is essential for an accurate understanding of their activity, which will pave the way for the rational design of novel third-generation drugs comprising cisplatin- and carboplatin-like moieties. PMID:21523878

  16. Study of Σ(1385) and Ξ(1321) hyperon and antihyperon production in deep inelastic muon scattering

    NASA Astrophysics Data System (ADS)

    Adolph, C.; Alekseev, M. G.; Alexakhin, V. Y.; Alexandrov, Y.; Alexeev, G. D.; Amoroso, A.; Austregesilo, A.; Badełek, B.; Balestra, F.; Barth, J.; Baum, G.; Bedfer, Y.; Berlin, A.; Bernhard, J.; Bertini, R.; Bicker, K.; Bieling, J.; Birsa, R.; Bisplinghoff, J.; Bordalo, P.; Bradamante, F.; Braun, C.; Bravar, A.; Bressan, A.; Büchele, M.; Burtin, E.; Capozza, L.; Chiosso, M.; Chung, S. U.; Cicuttin, A.; Crespo, M. L.; Dalla Torre, S.; Dasgupta, S. S.; Dasgupta, S.; Denisov, O. Y.; Donskov, S. V.; Doshita, N.; Duic, V.; Dünnweber, W.; Dziewiecki, M.; Efremov, A.; Elia, C.; Eversheim, P. D.; Eyrich, W.; Faessler, M.; Ferrero, A.; Filin, A.; Finger, M.; Finger, M.; Fischer, H.; Franco, C.; du Fresne von Hohenesche, N.; Friedrich, J. M.; Frolov, V.; Garfagnini, R.; Gautheron, F.; Gavrichtchouk, O. P.; Gerassimov, S.; Geyer, R.; Giorgi, M.; Gnesi, I.; Gobbo, B.; Goertz, S.; Grabmüller, S.; Grasso, A.; Grube, B.; Gushterski, R.; Guskov, A.; Guthörl, T.; Haas, F.; von Harrach, D.; Heinsius, F. H.; Herrmann, F.; Heß, C.; Hinterberger, F.; Höppner, C.; Horikawa, N.; d'Hose, N.; Huber, S.; Ishimoto, S.; Ivanshin, Y.; Iwata, T.; Jahn, R.; Jary, V.; Jasinski, P.; Joosten, R.; Kabuß, E.; Kang, D.; Ketzer, B.; Khaustov, G. V.; Khokhlov, Y. A.; Kisselev, Y.; Klein, F.; Klimaszewski, K.; Koivuniemi, J. H.; Kolosov, V. N.; Kondo, K.; Königsmann, K.; Konorov, I.; Konstantinov, V. F.; Kotzinian, A. M.; Kouznetsov, O.; Krämer, M.; Kroumchtein, Z. V.; Kuchinski, N.; Kunne, F.; Kurek, K.; Kurjata, R. P.; Lednev, A. A.; Lehmann, A.; Levorato, S.; Lichtenstadt, J.; Maggiora, A.; Magnon, A.; Makke, N.; Mallot, G. K.; Mann, A.; Marchand, C.; Martin, A.; Marzec, J.; Matsuda, H.; Matsuda, T.; Meshcheryakov, G.; Meyer, W.; Michigami, T.; Mikhailov, Y. V.; Miyachi, Y.; Morreale, A.; Nagaytsev, A.; Nagel, T.; Nerling, F.; Neubert, S.; Neyret, D.; Nikolaenko, V. I.; Novy, J.; Nowak, W.-D.; Nunes, A. S.; Olshevsky, A. G.; Ostrick, M.; Panknin, R.; Panzieri, D.; Parsamyan, B.; Paul, S.; Piragino, G.; Platchkov, S.; Pochodzalla, J.; Polak, J.; Polyakov, V. A.; Pretz, J.; Quaresma, M.; Quintans, C.; Ramos, S.; Reicherz, G.; Rocco, E.; Rodionov, V.; Rondio, E.; Rossiyskaya, N. S.; Ryabchikov, D. I.; Samoylenko, V. D.; Sandacz, A.; Sapozhnikov, M. G.; Sarkar, S.; Savin, I. A.; Sbrizzai, G.; Schiavon, P.; Schill, C.; Schlüter, T.; Schmidt, A.; Schmidt, K.; Schmitt, L.; Schmïden, H.; Schönning, K.; Schopferer, S.; Schott, M.; Shevchenko, O. Y.; Silva, L.; Sinha, L.; Sirtl, S.; Sosio, S.; Sozzi, F.; Srnka, A.; Steiger, L.; Stolarski, M.; Sulc, M.; Sulej, R.; Suzuki, H.; Sznajder, P.; Takekawa, S.; Ter Wolbeek, J.; Tessaro, S.; Tessarotto, F.; Thibaud, F.; Uhl, S.; Uman, I.; Vandenbroucke, M.; Virius, M.; Wang, L.; Weisrock, T.; Wilfert, M.; Windmolders, R.; Wiślicki, W.; Wollny, H.; Zaremba, K.; Zavertyaev, M.; Zemlyanichkina, E.; Zhuravlev, N.; Ziembicki, M.

    2013-10-01

    Large samples of Λ, Σ(1385) and Ξ(1321) hyperons produced in the deep-inelastic muon scattering off a 6LiD target were collected with the COMPASS experimental setup at CERN. The relative yields of Σ(1385)+, Σ(1385)-, , , Ξ(1321)-, and hyperons decaying into were measured. The ratios of heavy-hyperon to Λ and heavy-antihyperon to were found to be in the range 3.8 % to 5.6 % with a relative uncertainty of about 10 %. They were used to tune the parameters relevant for strange particle production of the LEPTO Monte Carlo generator.

  17. Study of 180 Mev Proton Inelastic Scattering from SILICON-28 and SILICON-30.

    NASA Astrophysics Data System (ADS)

    Chen, Quan

    This thesis reports the measurement of cross section and analyzing power angular distribution of elastic and inelastic scattering of 180 MeV proton for ^ {28}Si and ^{30} Si. Measurements were carried out using the proton beam available at the Indiana University Cyclotron Facility. The scattered protons were detected using the QDDM magnetic spectrometer. The DWIA framework, in which most inelastic proton scattering observables are analyzed, has three ingredients, (1) NN-effective interaction, (2) transition density, and (3) distorted waves. The procedure used here to obtain effective NN-interaction empirically is that first suggested by J. J. Kelly. It models effective NN-interaction guided by the nuclear matter theory(G-matrix) and employs the local density approximation(LDA). By using the transitions, for which transition densities are known, it fits the inelastic observable to determine the parameters used to model the momentum transfer(q) and density(k_{F }) dependence of the effective interaction (here reference to as empirical interaction). The distorted waves are calculated in a self-consistent manner from the model empirical interaction. The salient results are: (1) It is observed that, although the data base was increased by combining the ^{16}O observable with those of ^{28}Si, it still was not large enough to determine all the parameters without ambiguity in terms of which the effective NN-interaction was modeled. (2) The model prediction of cross section and analyzing power in terms of DWIA, using both the Paris -g and empirical interaction, with the observed are compared. It is clear that the results and the technique used to obtain effective NN-interaction shows that there is substantial potential to gain both qualitative and quantitative insight into how the interaction between two nucleons is modified within the nuclear medium. In particular, at low-q effective interaction is reduced and at high-q repulsion is enhanced compared to free interaction

  18. Inelastic Scattering in STEM for Studying Structural and Electronic Properties of Chalcogenide-Based Semiconductor Nanocrystals

    NASA Astrophysics Data System (ADS)

    Gunawan, Aloysius Andhika

    Transmission electron microscopy (TEM) relies upon elastic and inelastic scattering signals to perform imaging and analysis of materials. TEM images typically contain contributions from both types of scattering. The ability to separate the contributions from elastic and inelastic processes individually through energy filter or electron energy loss spectroscopy (EELS) allows unique analysis that is otherwise unachievable. Two prominent types of inelastic scattering probed by EELS, namely plasmon and core-loss excitations, are useful for elucidating structural and electronic properties of chalcogenide-based semiconductor nanocrystals. The elastic scattering, however, is still a critical part of the analysis and used in conjunction with the separated inelastic scattering signals. The capability of TEM operated in scanning mode (STEM) to perform localized atomic length scale analysis also permits the understanding of the nanocrystals unattainable by other techniques. Despite the pivotal role of inelastic scatterings, their contributions for STEM imaging, particularly high-angle annular dark field STEM (HAADF-STEM), are not completely understood. This is not surprising since it is currently impossible to experimentally separate the inelastic signals contributing to HAADF-STEM images although images obtained under bright-field TEM mode can be analyzed separately from their scattering contributions using energy-filtering devices. In order to circumvent such problem, analysis based on simulation was done. The existing TEM image simulation algorithm called Multislice method, however, only accounts for elastic scattering. The existing Multislice algorithm was modified to incorporate (bulk or volume) plasmon inelastic scattering. The results were verified based on data from convergent-beam electron diffraction (CBED), electron energy loss spectroscopy (EELS), and HAADF-STEM imaging as well as comparison to experimental data. Dopant atoms are crucial factors which control

  19. Inelastic x-ray scattering studies on dynamic structure factor of polymeric liquid Se under pressure

    SciTech Connect

    Inui, Masanori; Kajihara, Yukio; Kimura, Koji; Matsuda, Kazuhiro; Ohara, Koji; Tsutsui, Satoshi; Ishikawa, Daisuke

    2015-08-17

    Inelastic X-ray scattering measurements at 25 MPa using synchrotron radiation were carried out for semiconducting liquid Se at high temperatures up to 1673 K. The excitation energy of the acoustic mode disperses approximately 10-50 % faster than the ultrasonic sound velocity in the observed temperature range while the ultrasonic sound rapidly slows down with increasing temperature. We carried out X-ray scattering measurements and found that the average coordination number at 1673 K is 1.3, indicating that the high temperature liquid consists of short chain molecules. These results suggest that weakening of the interatomic interaction is correlated with breaking of polymeric chain molecules.

  20. Inelastic electron scattering from a moving nucleon

    SciTech Connect

    Kuhn, S.E.; Griffioen, K.

    1994-04-01

    The authors propose to measure inelastically scattered electrons in coincidence with spectator protons emitted backwards relative to the virtual photon direction in the reaction d(e, e{prime}p{sub s})X. In a simple spectator model, the backward proton has equal and opposite momentum to the neutron before it is struck, allowing the authors to study the dependence on kinematics and off-shell behaviour of the electron-nucleon inelastic cross section. If the photon couples to a quark in a 6-quark bag, a different dependence of the cross section on the kinematic variables (x, Q{sup 2}, and p{sub s}) can be observed. This proposed experiment requires large acceptance and beam energies above 6 GeV. It is ideally suited for the CEBAF Large Acceptance Spectrometer (CLAS).

  1. Inclusive Inelastic Electron Scattering from Nuclei

    SciTech Connect

    Fomin, Nadia

    2007-10-26

    Inclusive electron scattering from nuclei at large x and Q{sup 2} is the result of a reaction mechanism that includes both quasi-elastic scattering from nucleons and deep inelastic scattering from the quark consitituents of the nucleons. Data in this regime can be used to study a wide variety of topics, including the extraction of nuclear momentum distributions, the infiuence of final state interactions and the approach to y-scaling, the strength of nucleon-nucleon correlations, and the approach to x-scaling, to name a few. Selected results from the recent experiment E02-019 at the Thomas Jefferson National Accelerator Facility will be shown and their relevance discussed.

  2. Experimental and Computational Studies on Collective Hydrogen Dynamics in Ammonia Borane: Incoherent Inelastic Neutron Scattering

    SciTech Connect

    Kathmann, Shawn M.; Parvanov, Vencislav M.; Schenter, Gregory K.; Stowe, Ashley C.; Daemen, Luke L.; Hartl, Monika A.; Linehan, John C.; Hess, Nancy J.; Karkamkar, Abhijeet J.; Autrey, Thomas

    2009-02-26

    Incoherent inelastic neutron scattering can be used as a sensitive probe of the vibrational dynamics in chemical hydrogen storage materials. Thermal neutron energy loss measurements at 10K are presented and compared to the vibrational power spectrum calculated using ab initio molecular dynamics of pure and deuterated ammonia borane (NH3BH3, NH3BD3, and ND3BH3). A harmonic vibrational analysis on NH3BH3 clusters was also explored to check for consistency with experiment and the power spectrum. The measured neutron spectra and computed ab initio power spectrum compare extremely well (50 to 500 cm-1) and some assignment of modes to simple motion is possible, however, it is found that the lowest modes (below 250 cm-1) are dominated by collective motion. This work was supported by the U.S. Department of Energy's (DOE) Office of Basic Energy Sciences, Chemical Sciences program. The Pacific Northwest National Laboratory is operated by Battelle for DOE.

  3. Refined model of the {Fe9} magnetic molecule from low-temperature inelastic neutron scattering studies

    SciTech Connect

    Engelhardt, Larry; Demmel, Franz; Luban, Marshall; Timco, Grigore A; Tuna, Floriana; Winpenny, Richard E

    2014-06-01

    We present a refined model of the {Fe9} tridiminished icosahedron magnetic molecule system. This molecule was originally modeled as being composed of two ({Fe3} and {Fe6}) clusters, with the Fe3+ ions within each cluster being coupled via exchange interactions, but with no coupling between the clusters. The present inelastic neutron scattering (INS) measurements were used to probe the low-lying energy spectrum of {Fe9}, and these results demonstrate that the previously published model of two uncoupled clusters is incomplete. To achieve agreement between the experiment and theory, we have augmented the model with relatively small exchange coupling between the clusters. A combination of Lanczos matrix diagonalization and quantum Monte Carlo simulations have been used to achieve good agreement between the experimental data and the improved model of the full {Fe9} system despite the complexity of this model (with Hilbert space dimension >107).

  4. Quasi elastic and inelastic neutron scattering study of vitamin C aqueous solutions

    NASA Astrophysics Data System (ADS)

    Migliardo, F.; Branca, C.; Magazù, S.; Migliardo, P.; Coppolino, S.; Villari, A.; Micali, N.

    2002-02-01

    In this paper, new results obtained by quasi elastic and inelastic neutron scattering experiments performed on vitamin C ( L-ascorbic acid)/H 2O mixtures are reported. The data analysis of the QENS measurements, by a separation of the diffusive dynamics of hydrated L-ascorbic acid from that of water, furnishes quantitative evidences of a random jump diffusion motion of vitamin C and shows that the water dynamics is strongly affected by the presence of L-ascorbic acid. Concerning the INS experiment, we are able, through the behaviour of neutron spectra across the glass transition temperature ( T g≈233 K for the vitamin C/water system), to collocate the investigated system in the Angell “strong-fragile” scheme.

  5. Anomalous vibrational modes in acetanilide: A F. D. S. incoherent inelastic neutron scattering study

    SciTech Connect

    Barthes, M.; Moret, J. ); Eckert, J.; Johnson, S.W.; Swanson, B.I.; Unkefer, C.J. )

    1991-01-01

    The origin of the anomalous infra-red and Raman modes in acetanilide (C{sub 6}H{sub 5}NHCOCH{sub 3}, or ACN), remains a subject of considerable controversy. One family of theoretical models involves Davydov-like solitons nonlinear vibrational coupling, or polaronic'' localized modes. An alternative interpretation of the extra-bands in terms of a Fermi resonance was proposed and recently the existence of slightly non-degenerate hydrogen atom configurations in the H-bond was suggested as an explanation for the anomalies. In this paper we report some new results on the anomalous vibrational modes in ACN that were obtained by inelastic incoherent neutron scattering (INS).

  6. Inelastic neutron- and Raman-scattering studies of muscovite and vermiculite layered silicates

    SciTech Connect

    Wada, N. ); Kamitakahara, W.A. University of Maryland, College Park, Maryland National Institute of Standards and Technology, Building 235, E-151, Gaithersburg, Maryland )

    1991-01-15

    Investigations on the lattice dynamics of muscovite and vermiculite have been carried out by inelastic neutron scattering and Raman scattering. In the neutron measurements, dispersion curves for the out-of-plane and in-plane LA and TA phonons were fully obtained for muscovite, while more limited data were obtained for Mg vermiculite. Sound velocities were estimated from the slopes of the dispersion curves. Raman-scattering experiments revealed an interlayer shearing mode in Na and Sr vermiculites in the 0-water-layer hydration state. The intercalated water molecules in Na and Sr vermiculites exhibited a broad Raman feature (OH stretching vibrations) at 3450 cm{sup {minus}1} with a full width at half maximum of {similar to}300 cm{sup {minus}1}. In addition, relatively sharp Raman peaks from the inner-layer hydroxyls in the host octahedral layers were found at {similar to}3700 cm{sup {minus}1}. These peaks were sensitive to the hydration state or charge in the intercalated layer.

  7. Low energy excitations in iridates studied with Resonant Inelastic X-ray Scattering

    NASA Astrophysics Data System (ADS)

    Liu, Xuerong

    2013-03-01

    In the iridium oxides, the strong spin-orbit coupling (SOC) of the 5d iridium electrons entangles the orbital and spin degrees of freedom, providing opportunities for exotic magnetic states with highly anisotropic exchange interactions. At the same time, the spatially extended 5d electrons are expected to have much stronger hybridization with the oxygen 2p orbitals, comparing with that in 3d transition element compounds. Both factors make crystal symmetry and local environment crucial in determining the electronic and magnetic properties of the iridates. We present here our resonant inelastic X-ray scattering (RIXS) studies of a number of octahedrally coordinated iridates with special structures, exploring these effects. In particular, for the 1-D spin 1/2 chain compound, Sr3CuIrO6, the wavefunction of the hole in the t2g manifold was reconstructed based on the RIXS spectra. Our results show that it is significantly modified from the isotropic shape expected for Jeff = 1 / 2 states in the strong SOC limit, due to the distortion of the oxygen octahedral cage. This distortion is comparable to, or smaller than, that present in most iridates and thus this work emphasizes the importance of local symmetry for the iridate families. Further, the magnetic excitations of this material were also measured. A large gap of ~30 meV, was found, comparable to the magnetic dispersion bandwidth. This is in contrast to the gapless dispersion expected for linear chain with isotropic Heisenberg exchange interaction. We also studied Na4Ir3O8 which has a hyperkagome lattice, and is a candidate quantum spin liquid. Here, a low energy continuum is observed below the d-d excitations. Optical conductivity measurements performed on the same sample and polarization dependence of the RIXS signal suggest that these excitations are magnetic in origin, agreeing with the spin-liquid state prediction. The work at Brookhaven was supported by the U.S. Department of Energy, Division of Materials Science

  8. Hydrophobic hydration of tert-butyl alcohol studied by Brillouin light and inelastic ultraviolet scattering.

    PubMed

    Lupi, L; Comez, L; Masciovecchio, C; Morresi, A; Paolantoni, M; Sassi, P; Scarponi, F; Fioretto, D

    2011-02-01

    The longitudinal viscosity of diluted water-tert-butyl alcohol solutions in the 10 GHz frequency region has been measured by means of Brillouin light scattering and inelastic ultraviolet scattering. The main advantage of our hypersonic investigation compared to more traditional ultrasonic measurements is that in the gigahertz frequency range slow relaxation processes involving the alcohol dynamics are completely unrelaxed, so that the measured viscosity mainly originates from the hydrogen bond restructuring of water. In contrast with previous determinations, we estimate an activation energy which is independent from the alcohol mole fraction up to X = 0.1, and comparable to that of bulk water. A simple two-component model is used to describe the steep increase of viscosity with increasing alcohol mole fraction, and a retardation factor 1.7 ± 0.2 is found between the relaxation times of hydration and bulk water. These findings endorse a dynamic scenario where the slowing down of hydration water is mainly due to a reduction of configurational entropy and does not involve an arrested, icelike, dynamics. PMID:21303164

  9. Elastic and inelastic scattering of He atoms from Bi(111)

    NASA Astrophysics Data System (ADS)

    Tamtögl, A.; Mayrhofer-Reinhartshuber, M.; Balak, N.; Ernst, W. E.; Rieder, K. H.

    2010-08-01

    Elastic and inelastic scattering of helium atoms has been used to study the Bi(111) surface. Sharp diffraction peaks are found with results in excellent agreement with previous structure determinations of the Bi(111) surface. The rather large first order peaks with respect to the zero order peak indicate a stronger surface corrugation than observed in helium scattering from other metallic surfaces. Time-of-flight spectra of scattered He atoms clearly reveal two inelastic scattering maxima, which allow a first report on phonon creation and annihilation events on the Bi(111) surface. An estimate of the group velocity shows that the phonon creation peak is likely to correspond to a Rayleigh mode.

  10. Inelastic neutron scattering study on boson peaks of imidazolium-based ionic liquids

    DOE PAGESBeta

    Kofu, Maiko; Inamura, Yasuhiro; Podlesnyak, Andrey A.; Ehlers, Georg; Yamamuro, Osamu; Moriya, Yosuke

    2015-07-26

    Low energy excitations of 1-alkyl-3-methylimidazolium ionic liquids (ILs) have been investigated by means of neutron spectroscopy. In the spectra of inelastic scattering, a broad excitation peak referred to as a “boson peak” appeared at 1–3 meV in all of the ILs measured. The intensity of the boson peak was enhanced at the Q positions corresponding to the diffraction peaks, reflecting the in-phase vibrational nature of the boson peak. Furthermore the boson peak energy (EBP) was insensitive to the length of the alkyl-chain but changed depending on the radius of the anion. From the correlation among EBP, the anion radius, andmore » the glass transition temperature Tg, we conclude that both EBP and Tg in ILs are predominantly governed by the inter-ionic Coulomb interaction which is less influenced by the alkyl-chain length. Furthermore, we also found that the EBP is proportional to the inverse square root of the molecular weight as observed in molecular glasses.« less

  11. Inelastic neutron scattering study on boson peaks of imidazolium-based ionic liquids

    SciTech Connect

    Kofu, Maiko; Inamura, Yasuhiro; Podlesnyak, Andrey A.; Ehlers, Georg; Yamamuro, Osamu; Moriya, Yosuke

    2015-07-26

    Low energy excitations of 1-alkyl-3-methylimidazolium ionic liquids (ILs) have been investigated by means of neutron spectroscopy. In the spectra of inelastic scattering, a broad excitation peak referred to as a “boson peak” appeared at 1–3 meV in all of the ILs measured. The intensity of the boson peak was enhanced at the Q positions corresponding to the diffraction peaks, reflecting the in-phase vibrational nature of the boson peak. Furthermore the boson peak energy (EBP) was insensitive to the length of the alkyl-chain but changed depending on the radius of the anion. From the correlation among EBP, the anion radius, and the glass transition temperature Tg, we conclude that both EBP and Tg in ILs are predominantly governed by the inter-ionic Coulomb interaction which is less influenced by the alkyl-chain length. Furthermore, we also found that the EBP is proportional to the inverse square root of the molecular weight as observed in molecular glasses.

  12. Signatures of strong correlation effects in resonant inelastic x-ray scattering studies on cuprates

    NASA Astrophysics Data System (ADS)

    Li, Wan-Ju; Lin, Cheng-Ju; Lee, Ting-Kuo

    2016-08-01

    Recently, spin excitations in doped cuprates have been measured using resonant inelastic x-ray scattering. The paramagnon dispersions show the large hardening effect in the electron-doped systems and seemingly doping independence in the hole-doped systems, with the energy scales comparable to that of the antiferromagnetic (AFM) magnons. This anomalous hardening effect and the lack of softening were partially explained by using the strong-coupling t -J model but with a three-site term [Nat. Commun. 5, 3314 (2014), 10.1038/ncomms4314], although the hardening effect is already present even without the latter. By considering the t -t'-t''-J model and using the slave-boson mean-field theory, we obtain, via the spin-spin susceptibility, the spin excitations in qualitative agreement with the experiments. The doping-dependent bandwidth due to the strong correlation physics is the origin of the hardening effect. We also show that dispersions in the AFM regime, different from those in the paramagnetic (PM) regime, hardly vary with dopant density. These excitations are mainly collective in nature instead of particle-hole-like. We further discuss the interplay and different contributions of these two kinds of excitations in the PM phase and show that the dominance of the collective excitation increases with decreasing dopant concentrations.

  13. Crystal electric field excitations in quasicrystal approximant TbCd6 studied by inelastic neutron scattering

    NASA Astrophysics Data System (ADS)

    Das, Pinaki; Flint, R.; Kong, T.; Canfield, P. C.; Kreyssig, A.; Goldman, A. I.; de Boissieu, M.; Lory, P.-F.; Beutier, G.; Hiroto, T.

    All of the known quasicrystals with local moments exhibit frustration and spin glass-like behavior at low temperature. The onset of the spin freezing temperature is believed to be affected by the crystal electric field (CEF) splitting of the local moments. The quasicrystal approximant TbCd6 and its related icosahedral quasicrystal phase, i-Tb-Cd, form a set of model systems to explore how magnetism evolves from a conventional lattice (approximant phase) to an aperiodic quasicrystal. Though TbCd6 shows long-range antiferromagnetic ordering (TN = 24 K), only spin glass like behavior is observed in i-Tb-Cd with a spin freezing temperature of TF = 6 K. To investigate further, we have performed inelastic neutron scattering measurements on powder samples of TbCd6 and observed two distinct CEF excitations at low energies which points to a high degeneracy of the CEF levels related to the Tb surrounding with almost icosahedral symmetry. Work at Ames Laboratory was supported by the DOE, BES, Division of Materials Sciences & Engineering, under Contract No. DE-AC02-07CH11358. This research used resources at Institut Laue-Langevin, France.

  14. ''Inelastic Neutron Scattering and Periodic Density Functional Studies of Hydrogen Bonded Structures''

    SciTech Connect

    Bruce S. Hudson

    2004-10-27

    This project is directed at a fundamental understanding of hydrogen bonding, the primary reversible interaction leading to defined geometries, networks and supramolecular aggregates formed by organic molecules. Hydrogen bonding is still not sufficiently well understood that the geometry of such supramolecular aggregates can be predicted. In the approach taken existing quantum chemical methods capable of treating periodic solids have been applied to hydrogen bonded systems of known structure. The equilibrium geometry for the given space group and packing arrangement were computed and compared to that observed. The second derivatives and normal modes of vibration will then be computed and from this inelastic neutron scattering (INS) spectra were computed using the normal mode eigenvectors to compute spectral intensities. Appropriate inclusion of spectrometer line width and shape was made in the simulation and overtones, combinations and phonon wings were be included. These computed spectra were then compared with experimental results obtained for low-temperature polycrystalline samples at INS spectrometers at several facilities. This procedure validates the computational methodology for describing these systems including both static and dynamic aspects of the material. The resulting description can be used to evaluate the relative free energies of two or more proposed structures and so ultimately to be able to predict which structure will be most stable for a given building block.

  15. Inelastic Neutron Scattering from Glass Formers

    NASA Astrophysics Data System (ADS)

    Buchenau, U.

    Neutron spectra below and above the glass transition temperature show a pronounced difference between strong and fragile glass formers in Angell's fragility scheme. The strong anharmonic increase of the inelastic scattering with increasing temperature in fragile substances is absent in the strongest glass former SiO2. That difference is reflected in the temperature dependence of Brillouin sound velocities above the glass transition. Coherent inelastic neutron scattering data indicate a mixture of sound waves and local modes at the low frequency boson peak. A relation between the fragility and the temperature dependence of the transverse hypersound velocity at the glass temperature is derived.

  16. Inelastic neutron scattering study of Ni-substituted Ce0.5Fe4Sb12 skutterudite compounds

    NASA Astrophysics Data System (ADS)

    Girard, L.; Adroja, D. T.; Chapon, L.; Taylor, J. W.; Viennois, R.; Ravot, D.; Paschen, S.

    2012-12-01

    An inelastic neutron scattering study of the filled and partially-filled skutterudite compounds RFe4Sb12 and R0.5Fe2.75Ni1.25Sb12 (where R = Ce and La) was carried out to understand the nature of the spin dynamics. Strong magnetic scattering was observed in Ce0.5Fe2.75Ni1.25Sb12 at ~ 5 meV. The integrated intensity of this peak does not follow the Ce3+ form factor, but exhibits a maximum at a momentum transfer (|Q|) of 2 Å-1. We attribute this feature to a Ce3+ crystal field excitation in the presence of magnetic exchange interactions. This picture is supported by thermodynamic and magnetic properties. Finally, we confirm the presence of a spin gap in CeFe4Sb12 suggested by our previous work.

  17. Intrinsic radial sensitivity of nucleon inelastic scattering

    NASA Astrophysics Data System (ADS)

    Kelly, J. J.

    1988-02-01

    A linear expansion analysis of the folding model transition amplitude is used to study the intrinsic sensitivity of the inelastic scattering of intermediate energy nucleons to the radial form of the neutron transition density, given known proton transition densities from electron scattering. Realistic density-dependent effective interactions are used to construct pseudodata. These pseudodata are then reanalyzed and the error matrix is used to calculate an error band for the radial transition density. This approach reveals the sensitivity of the extracted transition density to absorption, medium modifications of the interaction, and the extent and quality of the data in a manner that is largely free of the residual inaccuracies in reaction theory that complicate the analysis of real data. We find that the intrinsic radial sensitivity of nucleon inelastic scattering is best for projectile energies between 200 and 500 MeV, but is adequate to resolve the radial dependence of neutron transition densities even in the interior of heavy nuclei throughout the energy regime 100-800 MeV. We have also compared our method with scale-factor analyses which assume proportionality between neutron and proton densities. For states whose transition densities are similar in the surface, we find scaling to be accurate at the 20% level. However, for light nuclei substantial deviations beyond the first peak of the differential cross section reveal sensitivity to shape differences. This sensitivity is reduced for heavy nuclei. The model dependence of radial densities is also studied. A high-q constraint is used to analyze the contribution of incompleteness error to the deduced error bands and to reduce the model dependence.

  18. X-ray induced dimerization of cinnamic acid: Time-resolved inelastic X-ray scattering study

    PubMed Central

    Inkinen, Juho; Niskanen, Johannes; Talka, Tuomas; Sahle, Christoph J.; Müller, Harald; Khriachtchev, Leonid; Hashemi, Javad; Akbari, Ali; Hakala, Mikko; Huotari, Simo

    2015-01-01

    A classic example of solid-state topochemical reactions is the ultraviolet-light induced photodimerization of α-trans-cinnamic acid (CA). Here, we report the first observation of an X-ray-induced dimerization of CA and monitor it in situ using nonresonant inelastic X-ray scattering spectroscopy (NRIXS). The time-evolution of the carbon core-electron excitation spectra shows the effects of two X-ray induced reactions: dimerization on a short time-scale and disintegration on a long time-scale. We used spectrum simulations of CA and its dimerization product, α-truxillic acid (TA), to gain insight into the dimerization effects. From the time-resolved spectra, we extracted component spectra and time-dependent weights corresponding to CA and TA. The results suggest that the X-ray induced dimerization proceeds homogeneously in contrast to the dimerization induced by ultraviolet light. We also utilized the ability of NRIXS for direct tomography with chemical-bond contrast to image the spatial progress of the reactions in the sample crystal. Our work paves the way for other time-resolved studies on chemical reactions using inelastic X-ray scattering. PMID:26568420

  19. Magnetic Excitations in the Orbitally Degenerate Triangular Lattice LiVO2 Studied by Inelastic Neutron Scattering

    NASA Astrophysics Data System (ADS)

    Tian, W.; Stone, M. B.; Mandrus, D. G.; Sales, B. C.; Jin, R.; Adroja, D. T.; Perring, T.; Nagler, S. E.

    2006-03-01

    Inelastic neutron scattering experiments were performed to study a two dimensional triangular lattice material LiVO2 (S=1, V^3+ ions) with orbital ordering involving threefold degenerate t2g orbitals. At Tt 500 K, LiVO2 undergoes a first order phase transition, accompanied by a large reduction in the magnetic susceptibility in the low temperature phase. It has been proposed that this phase transition is associated with the formation of trimers of V^3+ ions yielding a spin-singlet ground state. We report inelastic neutron scattering measurements on powder and single crystal samples of LiVO2 carried out using the HET and MAPS spectrometers at ISIS. At low temperature, several magnetic excitations with energy transfers as large as several hundred meV were observed. We propose that the observed multiple magnetic excitations arise from the orbital ordering. Model calculations for trimers including an orbital-ordering term showing qualitatively similar spectra suggesting that localized orbiton excitations have been observed in LiVO2.

  20. Azimuthal decorrelation of forward jets in deep inelastic scattering

    SciTech Connect

    Sabio Vera, Agustin; Schwennsen, Florian

    2008-01-01

    We study the azimuthal angle decorrelation of forward jets in deep inelastic scattering. We make predictions for this observable at HERA describing the high energy limit of the relevant scattering amplitudes with quasi-multi-Regge kinematics together with a collinearly-improved evolution kernel for multiparton emissions.

  1. Electronic Structure of Doped Lanthanum Cuprates Studied with Resonant Inelastic X-Ray Scattering

    SciTech Connect

    Hill, J.P.; Ellis, D.S.; Kim, J.; Zhang, H.; Gu, G.; Komiya, S.; Ando, Y.; Casa, D.; Gog, T.; Kim, Y.-J.

    2011-02-24

    We report a comprehensive Cu K-edge resonant inelastic x-ray scattering (RIXS) investigation of La{sub 2-x}Sr{sub x}CuO{sub 4} (LSCO) for 0 {le} x {le} 0.35, stripe-ordered La{sub 1.875}Ba{sub 0.125}CuO{sub 4} (LBCO), and La{sub 2}Cu{sub 0.96}Ni{sub 0.04}O{sub 4} (LCNO) crystals. The RIXS spectra measured at three high-symmetry momentum-transfer (q) positions are compared as a function of doping and for the different dopants. The spectra in the energy range 1-6 eV can be described with three broad peaks, which evolve systematically with increased doping. The most systematic trend was observed for q = ({pi},0) corresponding to the zone boundary. As hole doping increased, the spectral weight transfer from high energies to low energies is nearly linear with x at this q. We interpret the peaks as interband transitions in the context of existing band models for this system, assigning them to Zhang-Rice band {yields} upper Hubbard band, lower-lying band {yields} upper Hubbard band, and lower-lying band {yields} Zhang-Rice band transitions. The spectrum of stripe-ordered LBCO was also measured, and found to be identical to the correspondingly doped LSCO, except for a relative enhancement of the near-infrared peak intensity at {approx}1.5-1.7 eV. The temperature dependence of this near-infrared peak in LBCO was more pronounced than for other parts of the spectrum, continuously decreasing in intensity as the temperature was raised from 25 to 300 K. Finally, we find that 4% Ni substitution in the Cu site has a similar effect on the spectra as does Sr substitution in the La site.

  2. Inelastic neutron scattering studies of the spin and lattice dynamics in iron arsenide compounds.

    SciTech Connect

    Osborn, R.; Rosenkranz, S.; Goremychkin, E. A.; Christianson, A. D.

    2009-03-20

    Although neutrons do not couple directly to the superconducting order parameter, they have nevertheless played an important role in advancing our understanding of the pairing mechanism and the symmetry of the superconducting energy gap in the iron arsenide compounds. Measurements of the spin and lattice dynamics have been performed on non-superconducting 'parent' compounds based on the LaFeAsO ('1111') and BaFe{sub 2}As{sub 2} ('122') crystal structures, and on electron and hole-doped superconducting compounds, using both polycrystalline and single crystal samples. Neutron measurements of the phonon density-of-state, subsequently supported by single crystal inelastic X-ray scattering, are in good agreement with ab initio calculations, provided the magnetism of the iron atoms is taken into account. However, when combined with estimates of the electron-phonon coupling, the predicted superconducting transition temperatures are less than 1 K, making a conventional phononic mechanism for superconductivity highly unlikely. Measurements of the spin dynamics within the spin density wave phase of the parent compounds show evidence of strongly dispersive spin waves with exchange interactions consistent with the observed magnetic order and a large anisotropy gap. Antiferromagnetic fluctuations persist in the normal phase of the superconducting compounds, but they are more diffuse. Below T{sub c}, there is evidence in three '122' compounds that these fluctuations condense into a resonant spin excitation at the antiferromagnetic wavevector with an energy that scales with T{sub c}. Such resonances have been observed in the high-T{sub c} copper oxides and a number of heavy fermion superconductors, where they are considered to be evidence of d-wave symmetry. In the iron arsenides, they also provide evidence of unconventional superconductivity, but a comparison with ARPES and other measurements, which indicate that the gaps are isotropic, suggests that the symmetry is more likely

  3. Inelastic Neutron Scattering Studies of the Spin and Lattice Dynamics inIron Arsenide Compounds

    SciTech Connect

    Christianson, Andrew D; Osborn, R.; Rosenkranz, Stephen; Goremychkin, E. A.

    2009-01-01

    Although neutrons do not couple directly to the superconducting order parameter, they have nevertheless played an important role in advancing our understanding of the pairing mechanism and the symmetry of the superconducting energy gap in the iron arsenide compounds. Measurements of the spin and lattice dynamics have been performed on non-superconducting 'parent' compounds based on the LaFeAsO ('1111') and BaFe{sub 2}As{sub 2} ('122') crystal structures, and on electron and hole-doped superconducting compounds, using both polycrystalline and single crystal samples. Neutron measurements of the phonon density-of-state, subsequently supported by single crystal inelastic X-ray scattering, are in good agreement with ab initio calculations, provided the magnetism of the iron atoms is taken into account. However, when combined with estimates of the electron-phonon coupling, the predicted superconducting transition temperatures are less than 1 K, making a conventional phononic mechanism for superconductivity highly unlikely. Measurements of the spin dynamics within the spin density wave phase of the parent compounds show evidence of strongly dispersive spin waves with exchange interactions consistent with the observed magnetic order and a large anisotropy gap. Antiferromagnetic fluctuations persist in the normal phase of the superconducting compounds, but they are more diffuse. Below T{sub c}, there is evidence in three '122' compounds that these fluctuations condense into a resonant spin excitation at the antiferromagnetic wavevector with an energy that scales with T{sub c}. Such resonances have been observed in the high-T{sub c} copper oxides and a number of heavy fermion superconductors, where they are considered to be evidence of d-wave symmetry. In the iron arsenides, they also provide evidence of unconventional superconductivity, but a comparison with ARPES and other measurements, which indicate that the gaps are isotropic, suggests that the symmetry is more likely

  4. Neutron inelastic scattering by amino acids

    SciTech Connect

    Thaper, C.L.; Sinha, S.K.; Dasannacharya, B.A.

    1982-01-01

    Inelastic neutron scattering experiments on normal, N-deuterated glycine, normal and N-deuterated alanine, L-valine, L-tyrosine and, L-phenylalanine at 100 K, are reported. Coupling of the external modes to different hydrogens is discussed.

  5. Deep Inelastic Scattering at the Amplitude Level

    SciTech Connect

    Brodsky, Stanley J.; /SLAC

    2005-08-04

    The deep inelastic lepton scattering and deeply virtual Compton scattering cross sections can be interpreted in terms of the fundamental wavefunctions defined by the light-front Fock expansion, thus allowing tests of QCD at the amplitude level. The AdS/CFT correspondence between gauge theory and string theory provides remarkable new insights into QCD, including a model for hadronic wavefunctions which display conformal scaling at short distances and color confinement at large distances.

  6. Medical applications of neutron inelastic scattering

    NASA Astrophysics Data System (ADS)

    Kehayias, Joseph J.; Banuk-Waitekus, Anathea; Valtuena, Silvia; Sheahan, Charles A.

    1999-10-01

    A sealed, D-T, pulsed neutron generator is used for the in vivo measurement of body carbon and oxygen by neutron inelastic scattering. The generator is operated at 10 KHz, at a neutron output of about 2 X 107 n/s/4(pi) . Gamma ray spectra are collected with two B4Ge3O12 crystal detectors. The measurements are used to measure fat and lean content and distribution in the body, with minimal radiation exposure (0.08 mSv). When combined with other measurements (such as total body potassium), this whole body scanning device provides us with the `quality of lean mass', a measurable outcome of treatments designed to improve nutritional status and function. The method is used in studies of human nutrition and for assessing the efficacy of new anti-obesity and anti-cachexia pharmaceuticals.

  7. STUDY MAGNETIC EXCITATIONS IN DOPED TRANSITION METAL OXIDES USING INELASTIC NEUTRON SCATTERING

    SciTech Connect

    Dai, Pengcheng

    2014-02-18

    Understanding the interplay between magnetism and superconductivity continues to be a “hot” topic in modern condensed matter physics. The discovery of high-temperature superconductivity in iron-based materials in 2008 provided an unique opportunity to compare and contrast these materials with traditional high-Tc copper oxide superconductors. Neutron scattering plays an important role in determining the dynamical spin properties in these materials. This proposal is a continuation of previous DOE supported proposal. This report summarizes the final progress we have made over from May 2005 till Aug. 2013. Overall, we continue to carry out extensive neutron scattering experiments on Fe-based materials, focusing on understanding their magnetic properties. In addition, we have established a materials laboratory at UT that has allowed us to grow these superconductors. Because neutron scattering typically demands a large amount of samples, by growing these materials in our own laboratory, we can now pursuit neutron scattering experiments over the entire electronic phase diagram, focusing on regions of interests. The material synthesis laboratory at UT was established entirely with the support of DOE funding. This not only allowed us to carry out neutron scattering experiments, but also permit us to provide samples to other US/International collaborators for studying these materials.

  8. Deep inelastic scattering near the Coulomb barrier

    SciTech Connect

    Gehring, J.; Back, B.; Chan, K.

    1995-08-01

    Deep inelastic scattering was recently observed in heavy ion reactions at incident energies near and below the Coulomb barrier. Traditional models of this process are based on frictional forces and are designed to predict the features of deep inelastic processes at energies above the barrier. They cannot be applied at energies below the barrier where the nuclear overlap is small and friction is negligible. The presence of deep inelastic scattering at these energies requires a different explanation. The first observation of deep inelastic scattering near the barrier was in the systems {sup 124,112}Sn + {sup 58,64}Ni by Wolfs et al. We previously extended these measurements to the system {sup 136}Xe + {sup 64}Ni and currently measured the system {sup 124}Xe + {sup 58}Ni. We obtained better statistics, better mass and energy resolution, and more complete angular coverage in the Xe + Ni measurements. The cross sections and angular distributions are similar in all of the Sn + Ni and Xe + Ni systems. The data are currently being analyzed and compared with new theoretical calculations. They will be part of the thesis of J. Gehring.

  9. Study of M1 and E1 excitations by high-resolution proton inelastic scattering measurement at forward angles

    SciTech Connect

    Tamii, A.; Adachi, T.; Hatanaka, K.; Hashimoto, H.; Kaneda, T.; Matsubara, H.; Okamura, H.; Sakemi, Y.; Shimizu, Y.; Tameshige, Y.; Yosoi, M.; Carter, J.; Dozono, M.; Fujita, H.; Fujita, Y.; Itoh, M.; Kawabata, T.; Nakanishi, K.; Sasamoto, Y.; Neumann-Cosel, P. von

    2007-06-13

    Experimental technique for measuring proton inelastic scattering with high-resolution at 295 MeV and at forward angles including zero degrees is described. The method is useful for extracting spin part of the M1 strength via nuclear excitation as well as E1 strength via Coulomb excitation. An excitation energy resolution of 20 keV, good scattering angle resolution, and low background condition have been achieved. The experimental technique was applied for several sd and pf shell nuclei.

  10. Composition Dependence of the Boson Peak and Universality in Lithium Borate Binary Glasses: Inelastic Neutron and Raman Scattering Studies

    NASA Astrophysics Data System (ADS)

    Matsuda, Yu; Kawashima, Mitsuru; Moriya, Yosuke; Yamada, Takeshi; Yamamuro, Osamu; Kojima, Seiji

    2010-03-01

    We study the low-energy vibrational dynamics, called the boson peak (BP), of binary lithium borate glasses as a function of the composition of these glasses by inelastic neutron and Raman scattering. Firstly, we analyze the variations in the properties of the BP with the composition. The position and intensity of the BP linearly change with increasing x owing to the changes in the intermediate glass structures. Secondly, we demonstrate that all spectral shapes with different compositions can be scaled by a single master curve, and are the same for all spectra. The results suggests that there is a universal distribution of the vibrational density of states, which does not change with the composition, even though the structures of lithium borate glasses markedly change. The effect of Li2O doping can be understood to be a chemical structure-induced densification.

  11. Large volume high-pressure cell for inelastic neutron scattering.

    PubMed

    Wang, W; Sokolov, D A; Huxley, A D; Kamenev, K V

    2011-07-01

    Inelastic neutron scattering measurements typically require two orders of magnitude longer data collection times and larger sample sizes than neutron diffraction studies. Inelastic neutron scattering measurements on pressurised samples are particularly challenging since standard high-pressure apparatus restricts sample volume, attenuates the incident and scattered beams, and contributes background scattering. Here, we present the design of a large volume two-layered piston-cylinder pressure cell with optimised transmission for inelastic neutron scattering experiments. The design and the materials selected for the construction of the cell enable its safe use to a pressure of 1.8 GPa with a sample volume in excess of 400 mm(3). The design of the piston seal eliminates the need for a sample container, thus providing a larger sample volume and reduced absorption. The integrated electrical plug with a manganin pressure gauge offers an accurate measurement of pressure over the whole range of operational temperatures. The performance of the cell is demonstrated by an inelastic neutron scattering study of UGe(2). PMID:21806195

  12. Inelastic Neutron Scattering Study of the Specific Features of the Phase Transitions in (NH4)2WO2F4

    SciTech Connect

    Smirnov, Lev S; Kolesnikov, Alexander I; Flerov, I. N.; Laptash, N. M.

    2009-01-01

    Oxyfluoride (NH4)2WO2F4 has been studied by the inelastic neutron scattering method over a wide temperature range 10 300 K at two initial neutron energies of 15 and 60 meV. The role of tetrahedral ammonium groups in the mechanism of sequential phase transitions at T1 = 201 K and T2 = 160 K has been discussed.

  13. Sivers effect in semiinclusive deeply inelastic scattering

    SciTech Connect

    Collins, J.C.; Efremov, A. V.; Goeke, K.; Menzel, S.; Metz, A.; Schweitzer, P.

    2006-01-01

    The Sivers function is extracted from HERMES data on single spin asymmetries in semi-inclusive deeply inelastic scattering. Our analysis use a simple Gaussian model for the distribution of transverse parton momenta, together with the flavor dependence given by the leading 1/N{sub c} approximation and a neglect of the Sivers antiquark distribution. We find that within the errors of the data these approximations are sufficient.

  14. Deep Inelastic Scattering and Related Phenomena

    NASA Astrophysics Data System (ADS)

    D'Agostini, G.; Nigro, A.

    1997-03-01

    The Table of Contents for the book is as follows: * Organization * Foreword * Welcome Address * PLENARY SESSION: "From Paris to Rome" * Deep Inelastic Physics with H1 * Recent Results from ZEUS * Overview of the Status of Polarised Structure Functions * Quarks and Gluons at Hadron Colliders * Deep Inelastic Scattering - Theory and Phenomenology * WORKING GROUP 1: Structure Functions * Inclusive Jet Cross Section Measurement at CDF * Measurement of Direct Photons by the DØ Experiment * MRS Parton Distributions * Global QCD Analysis, the Gluon Distribution, and High Et Inclusive Jet Data * F2 Measurement and QCD Analysis on 94 H1 Data * The ZEUS 1994 F2 Measurement * Measurement of the Total γ*p Cross Section at very Low x and Q2 at HERA * New Results on F2 Structure Functions * Proton Structure Function and Gluon Distribution Functions from Fermilab Experiment E665 * The Transition from the Photoproduction to the DIS Region * The BFKL Pomeron: Can It Be Detected? * BFKL/CCFM Phenomenology * Physics and Mathematics of Dynamical Partons * k⊥-Factorization and Perturbative Invariants at Small x * Double Scaling Violations * On the Asymptotic Behaviour of F2(x, Q2) * Double Logarithmic Scaling of F2 * Differential Charged Current Cross-Sections at HERA * Neutral Current ep Deep Inelastic Scattering at High Q2 and Limits on New Physics * Charm Production in Charged-Current DIS and Extraction of the Strange Sea Density * Extraction of the Gluon Density * On Problems in Extracting the Gluon Density from the Nucleon Structure Function Measurements * Inclusive Measurement of the Strong Coupling at HERA * A Measurement of R = σL/σT in Deep Inelastic Neutrino-Nucleon Scattering at the Tevatron * A Measurement of R = σL/σT in Deep Inelastic μ - p and μ - d Scattering * A Determination of the Longitudinal Proton Structure Function FL(x, Q2) at Low x at HERA * Prospects for Measuring R = σL/σT at HERA in 1966 Low-Energy Running * A Leading Order, in ln(1/x) as well as

  15. On rainbow scattering in inelastic molecular collisions

    SciTech Connect

    Thomas, Lowell D.

    1980-01-01

    The purpose of this letter is to call attention to a growing misinterpretation in the literature on rainbow scattering in inelastic molecular collisions. The importance of rainbow structures in the angular distributions of elastic scattering cross sections is well established. However, use of approximate cross section formulas has led to an incorrect classification of the types of rainbows which are possible. Actually, however, it is possible to identify two classes of rainbows. If the relevant distributions and classifications are clearly stated, there should be little chance of confusion,

  16. Deep-inelastic muon scattering from nuclei with hadron detection

    SciTech Connect

    Geesaman, D.; Jackson, H.; Kaufman, S.

    1995-08-01

    Deep-inelastic lepton scattering from nuclei provides a direct look at the quark structure of nuclear matter. These reactions revealed the first convincing evidence that the structure of nucleons is modified in the nuclear medium and had profound implications on the understanding of nuclear dynamics. FNAL experiment E665, using the 490-GeV muon beams at Fermi National Accelerator Laboratory, provides new information on the nuclear effects on nucleon properties by studying deep-inelastic muon scattering with coincident hadron detection. The high beam energy makes the experiment particularly suited to the study of the region of x < 0.1 (where x is the fraction of the momentum of the nucleon carried by the struck quark in the infinite momentum frame), and total center-of-mass hadronic energy > 25 GeV, where hard QCD processes are expected to become evident and there are little data from other deep-inelastic measurements.

  17. CHEMICAL APPLICATIONS OF INELASTIC X-RAY SCATTERING

    SciTech Connect

    HAYASHI,H.; UDAGAWA,Y.; GILLET,J.M.; CALIEBE,W.A.; KAO,C.C.

    2001-08-01

    Inelastic x-ray scattering (IXS), complementary to other more established inelastic scattering probes, such as light scattering, electron scattering, and neutron scattering, is becoming an important experimental technique in the study of elementary excitations in condensed matters. Over the past decade, IXS with total energy resolution of few meV has been achieved, and is being used routinely in the study of phonon dispersions in solids and liquids as well as dynamics in disordered and biological systems. In the study of electronic excitations, IXS with total energy resolution on the order of 100 meV to 1 eV is gaining wider applications also. For example, IXS has been used to study collective excitations of valence electrons, single electron excitations of valence electrons, as well as core electron excitations. In comparison with the alternative scattering techniques mentioned above, IXS has several advantages. First, IXS probes the full momentum transfer range of the dielectric response of the sample, whereas light scattering is limited to very small momentum transfers, and electron scattering suffers the effects of multiple scattering at large momentum transfers. Second, since IXS measures the bulk properties of the sample it is not surface sensitive, therefore it does not require special preparation of the sample. The greater flexibility in sample conditions and environments makes IXS an ideal probe in the study of liquids and samples under extreme temperature, pressure, and magnetic field. Third, the tunability of synchrotron radiation sources enables IXS to exploit element specificity and resonant enhancement of scattering cross sections. Fourth, IXS is unique in the study of dynamics of liquids and amorphous solids because it can probe the particular region of energy-momentum transfer phase space, which is inaccessible to inelastic neutron scattering. On the other hand, the main disadvantages of IXS are the small cross sections and the strong absorption of

  18. Pion inelastic scattering from sup 20 Ne

    SciTech Connect

    Burlein, M. . Dept. of Physics)

    1989-12-01

    Angular distributions for {sup 20}Ne({pi}{sup {plus minus}}, {pi}{sup {plus minus}}{prime}) were measured on the Energetic Pion Channel and Spectrometer (EPICS) at the Clinton P. Anderson Meson Physics Facility (LAMPF). Data were taken with both {pi}{sup {plus}} and {pi}{sup {minus}} over an angular range of 12{degree} to 90{degree} for T{sub {pi}}=180 MeV and with {pi}{sup +} from 15{degree} to 90{degree} for T{sub {pi}}=120 MeV. The data were analyzed using both the distorted-wave impulse approximation (DWIA) and the coupled-channels impulse approximation (CCIA) with collective transition densities. In addition, microscopic transition densities were used in the DWIA analysis for states in the lowest rotational bands. The transitions to the 6.73-MeV 0{sup +} and several 1{sup {minus}} states, including the states at 5.79 MeV and 8.71 MeV, were studied using several models for the transition density. Strong evidence for the importance of two-step routes in pion inelastic scattering was seen in several angular distributions, including the 5.79-MeV 1{sup {minus}}, the first three 4{sup +} states, and the 8.78-MeV 6{sup +}. 100 refs., 81 figs., 33 tabs.

  19. Hard diffraction and deep inelastic scattering

    SciTech Connect

    Bjorken, J.D.

    1994-04-01

    Since the advent of hard-collision physics, the study of diffractive processes - shadow physics - has been less prominent than before. However, there is now a renewed interest in the subject, especially in that aspect which synthesizes the short-distance, hard-collision phenomena with the classical physics of large rapidity-gaps. This is especially stimulated by the recent data on deep-inelastic scattering from HERA, as well as the theoretical work which relates to it. The word diffraction is sometimes used by high-energy physicists in a loose way. The author defines this term to mean: A diffractive process occurs if and only if there is a large rapidity gap in the produced-particle phase space which is not exponentially suppressed. Here a rapidity gap means essentially no hadrons produced into the rapidity gap (which operates in the {open_quotes}lego{close_quotes} phase-space of pseudo-rapidity and azimuthal angle). And non-exponential suppression implies that the cross-section for creating a gap with width {Delta}{eta} does not have a power-law decrease with increasing subenergy s=e{sup {Delta}{eta}}, but behaves at most like some power of pseudorapidity {Delta}{eta}{approx}log(s). The term hard diffraction shall simply refer to those diffractive process which have jets in the final-state phase-space.

  20. A New Polyethylene Scattering Law Determined Using Inelastic Neutron Scattering

    SciTech Connect

    Lavelle, Christopher M; Liu, C; Stone, Matthew B

    2013-01-01

    Monte Carlo neutron transport codes such as MCNP rely on accurate data for nuclear physics cross-sections to produce accurate results. At low energy, this takes the form of scattering laws based on the dynamic structure factor, S (Q, E). High density polyethylene (HDPE) is frequently employed as a neutron moderator at both high and low temperatures, however the only cross-sections available are for T =300 K, and the evaluation has not been updated in quite some time. In this paper we describe inelastic neutron scattering measurements on HDPE at 5 and 300 K which are used to improve the scattering law for HDPE. We describe the experimental methods, review some of the past HDPE scattering laws, and compare computations using these models to the measured S (Q, E). The total cross-section is compared to available data, and the treatment of the carbon secondary scatterer as a free gas is assessed. We also discuss the use of the measurement itself as a scattering law via the 1 phonon approximation. We show that a scattering law computed using a more detailed model for the Generalized Density of States (GDOS) compares more favorably to this experiment, suggesting that inelastic neutron scattering can play an important role in both the development and validation of new scattering laws for Monte Carlo work.

  1. Inelastic magnetic X-ray scattering

    NASA Astrophysics Data System (ADS)

    Platzman, P. M.; Tzoar, N.

    1985-04-01

    The theory of magnetic X-ray scattering is used to discuss the possibilities for employing inelastic scattering to probe the magnetic properties of condensed matter systems. In particular, it is shown how the interference between the nonmagnetic (Compton) and magnetic scattering arising from the use of circularly polarized X-rays is absolutely essential in such experiments. The very beautiful preliminary experiments by Sakai and Ono (1976) on Fe which use circularly polarized Moessbauer gamma-rays will be discussed. They already show the sensitivity of the technique to the 'magnetic form factor'. In addition, the physics of a unique quarter wave plate employed in obtaining circularly polarized X-rays is considered, and the implications of this advance for doing such experiments on existing synchrotron X-ray sources are discussed.

  2. Magnetic Transitions in Iron Porphyrin Halides by Inelastic Neutron Scattering and Ab-initio Studies of Zero-Field Splittings

    DOE PAGESBeta

    Stavretis, Shelby E.; Atanasov, Mihail; Podlesnyak, Andrey A.; Hunter, Seth C.; Neese, Frank; Xue, Zi-Ling

    2015-10-02

    Zero-field splitting (ZFS) parameters of nondeuterated metalloporphyrins [Fe(TPP)X] (X = F, Br, I; H2TPP = tetraphenylporphyrin) are determined by inelastic neutron scattering (INS). The ZFS values are D = 4.49(9) cm–1 for tetragonal polycrystalline [Fe(TPP)F], and D = 8.8(2) cm–1, E = 0.1(2) cm–1 and D = 13.4(6) cm–1, E = 0.3(6) cm–1 for monoclinic polycrystalline [Fe(TPP)Br] and [Fe(TPP)I], respectively. Along with our recent report of the ZFS value of D = 6.33(8) cm–1 for tetragonal polycrystalline [Fe(TPP)Cl], these data provide a rare, complete determination of ZFS parameters in a metalloporphyrin halide series. The electronic structure of [Fe(TPP)X] (X =more » F, Cl, Br, I) has been studied by multireference ab initio methods: the complete active space self-consistent field (CASSCF) and the N-electron valence perturbation theory (NEVPT2) with the aim of exploring the origin of the large and positive zero-field splitting D of the 6A1 ground state. D was calculated from wave functions of the electronic multiplets spanned by the d5 configuration of Fe(III) along with spin–orbit coupling accounted for by quasi degenerate perturbation theory. Results reproduce trends of D from inelastic neutron scattering data increasing in the order from F, Cl, Br, to I. A mapping of energy eigenvalues and eigenfunctions of the S = 3/2 excited states on ligand field theory was used to characterize the σ- and π-antibonding effects decreasing from F to I. This is in agreement with similar results deduced from ab initio calculations on CrX63- complexes and also with the spectrochemical series showing a decrease of the ligand field in the same directions. A correlation is found between the increase of D and decrease of the π- and σ-antibonding energies eλX (λ = σ, π) in the series from X = F to I. Analysis of this correlation using second-order perturbation theory expressions in terms of angular overlap parameters rationalizes the experimentally deduced trend

  3. Magnetic Transitions in Iron Porphyrin Halides by Inelastic Neutron Scattering and Ab Initio Studies of Zero-Field Splittings.

    PubMed

    Stavretis, Shelby E; Atanasov, Mihail; Podlesnyak, Andrey A; Hunter, Seth C; Neese, Frank; Xue, Zi-Ling

    2015-10-19

    Zero-field splitting (ZFS) parameters of nondeuterated metalloporphyrins [Fe(TPP)X] (X = F, Br, I; H₂TPP = tetraphenylporphyrin) have been directly determined by inelastic neutron scattering (INS). The ZFS values are D = 4.49(9) cm⁻¹ for tetragonal polycrystalline [Fe(TPP)F], and D = 8.8(2) cm⁻¹, E = 0.1(2) cm⁻¹ and D = 13.4(6) cm⁻¹, E = 0.3(6) cm⁻¹ for monoclinic polycrystalline [Fe(TPP)Br] and [Fe(TPP)I], respectively. Along with our recent report of the ZFS value of D = 6.33(8) cm⁻¹ for tetragonal polycrystalline [Fe(TPP)Cl], these data provide a rare, complete determination of ZFS parameters in a metalloporphyrin halide series. The electronic structure of [Fe(TPP)X] (X = F, Cl, Br, I) has been studied by multireference ab initio methods: the complete active space self-consistent field (CASSCF) and the N-electron valence perturbation theory (NEVPT2) with the aim of exploring the origin of the large and positive zero-field splitting D of the ⁶A₁ ground state. D was calculated from wave functions of the electronic multiplets spanned by the d⁵ configuration of Fe(III) along with spin–orbit coupling accounted for by quasi degenerate perturbation theory. Results reproduce trends of D from inelastic neutron scattering data increasing in the order from F, Cl, Br, to I. A mapping of energy eigenvalues and eigenfunctions of the S = 3/2 excited states on ligand field theory was used to characterize the σ- and π-antibonding effects decreasing from F to I. This is in agreement with similar results deduced from ab initio calculations on CrX₆³⁻ complexes and also with the spectrochemical series showing a decrease of the ligand field in the same directions. A correlation is found between the increase of D and decrease of the π- and σ-antibonding energies e(λ)(X) (λ = σ, π) in the series from X = F to I. Analysis of this correlation using second-order perturbation theory expressions in terms of angular overlap parameters rationalizes the

  4. Inelastic Scattering Of Electrons By Protons

    DOE R&D Accomplishments Database

    Cone, A. A.; Chen, K. W.; Dunning, J. R. Jr.; Hartwig, G.; Ramsey, N. F.; Walker, J. K.; Wilson, R.

    1966-12-01

    The inelastic scattering of electrons by protons has been measured at incident electron energies up to 5 BeV/c and momentum transfers q{sup 2}=4(BeV/c){sup 2}. Excitation of known nucleon resonances at M=1238, 1512, 1688 and possibly 1920 MeV have been observed. The calculations for the resonance at M=1238 MeV have been compared with calculations by Adler based on the dispersion theory of Chew, Goldberger, Low and Nambu. The agreement is good. Qualitative models are discussed for the other resonances.

  5. Transverse dynamics of water across the melting point: A parallel neutron and x-ray inelastic scattering study

    SciTech Connect

    Cunsolo A.; Kodituwakku C.; Bencivenga, F.; Frontzek, M.; Leu, b.M.; Said, A.H.

    2012-05-29

    Joint inelastic neutron and x-ray scattering measurements have been performed on heavy water across the melting point. The spectra bear clear evidence of low- and high-frequency inelastic shoulders related to transverse and longitudinal modes, respectively. Upon increasing the momentum transfer, the spectral shape evolves from a viscoelastic regime, where the low-frequency mode is clearly over-damped, toward an elastic one where its propagation becomes instead allowed. The crossover between the two regimes occurs whenever both the characteristic frequency and the linewidth of the low-frequency mode match the inverse of the structural relaxation time. Furthermore, we observe that the frequency of the transverse mode undergoes a discontinuity across the melting, whose extent reduces upon increasing the exchanged momentum.

  6. Incident energy and polarization-dependent resonant inelastic x-ray scattering study of La2CuO4

    NASA Astrophysics Data System (ADS)

    Lu, L.; Hancock, J. N.; Chabot-Couture, G.; Ishii, K.; Vajk, O. P.; Yu, G.; Mizuki, J.; Casa, D.; Gog, T.; Greven, M.

    2006-12-01

    We present a detailed Cu K -edge resonant inelastic x-ray scattering (RIXS) study of the Mott insulator La2CuO4 in the 1-7eV energy loss range. As initially found for the high-temperature superconductor HgBa2CuO4+δ , the spectra exhibit a multiplet of weakly dispersive electron-hole excitations, which are revealed by utilizing the subtle dependence of the cross section on the incident photon energy. The close similarity between the fine structures for in-plane and out-of-plane polarizations is indicative of the central role played by the 1s core hole in inducing charge excitations within the CuO2 planes. On the other hand, we observe a polarization dependence of the spectral weight, and careful analysis reveals two separate features near 2eV that may be related to different charge-transfer processes. The polarization dependence indicates that the 4p electrons contribute significantly to the RIXS cross section. Third-order perturbation arguments and a shake-up of valence excitations are then applied to account for the final-energy resonance in the spectra. As an alternative scenario, we discuss fluorescence-like emission processes due to 1s→4p transitions into a narrow continuum 4p band.

  7. Inelastic neutron scattering study and magnetic excitations on the low-dimensional antiferromagnet α - Cu2V2O7

    NASA Astrophysics Data System (ADS)

    Gitgeatpong, Ganatee; Zhao, Yang; Qiu, Yiming; Matan, Kittiwit

    Magnetic excitations of the low-dimensional antiferromagnet α - Cu2V2O7 have been investigated using inelastic neutron scattering. The study reveals unusual commensurate splitting of magnetic excitation branches centered at a wave vector (0, +/- δ , 0) with δ = 0.25 away from a magnetic zone center, where a magnetic Bragg peak is observed. The energy gap of 0.75 meV at (0, +/- δ , 0) was found to decrease as a function of temperature and the magnetic excitations become diffusive and disappear above 35 K coincident with TN = 33.4 K. A recent experiment at the Multi Axis Crystal Spectrometer, MACS, to map the excitations over a large momentum space clearly shows the splitting of the dispersion at most of the allowed magnetic reflections. This commensurate splitting of the spin-wave-type excitations without the magnetic Bragg reflections at the same commensurate wave vectors has not yet been previously observed and remains unexplained. In the presentation, the experimental data will be shown and the possible explanation will also be discussed.

  8. Looking inside the pores of a MCM-41 based Mo heterogeneous styrene oxidation catalyst: an inelastic neutron scattering study.

    PubMed

    Fernandes, Cristina I; Rudić, Svemir; Vaz, Pedro D; Nunes, Carla D

    2016-07-14

    Styrene oxidation mediated by a Mo-based mesoporous catalyst can yield selectively styrene oxide or benzaldehyde. Kinetic data evidenced that styrene oxide is the initial single-product formed by the catalytic Mo-mediated process. However, after some hours of reaction benzaldehyde yield rises while that of the epoxide decreases concomitantly. The mechanistic proposal pointed to a surface assisted acid-base mechanism by which styrene oxide is interconverted into benzaldehyde through over-oxidation and cleavage of the C-C bond and releases formaldehyde as well. In an attempt to gain some insight into whether this mechanistic proposal is realistic we have conducted a combined DRIFT and inelastic neutron scattering (INS) study to assess the adsorbed species at the catalyst's surface and confirm the mechanistic proposal. INS and DRIFT provided complementary insight into surface-adsorbed species by probing donor (INS) and acceptor (DRIFT) species. INS also allowed for an estimation of product selectivity by means of a Job method stressing the power of the technique. PMID:27118507

  9. GiBUU and shallow inelastic scattering

    SciTech Connect

    Lalakulich, O.; Mosel, U.

    2015-05-15

    In this talk we shortly describe the physics contents of the GiBUU transport code, used to describe lepton scattering off nuclei. Particular attention will be given to validation of the GiBUU in pion-, electron- and photon-induced reactions, which serve as a benchmark for neutrino-induced ones. We mainly concentrate on those properties of benchmark reactions, which are relevant to the region of Shallow Inelastic Scattering (SIS). Our results in this region are presented for integrated and differential cross sections. Comparison with recent MINOS inclusive data, as well as predictions for the differential cross sections measurable in Minerνa and NoνA experiments are made.

  10. Rovibrationally inelastic scattering of CN-H2: Full-dimensional close-coupling study

    NASA Astrophysics Data System (ADS)

    Yang, Benhui; Wang, Xiaohong; Stancil, P.; Bowman, J.; Naduvalath, Balakrishnan; Forrey, Robert C.

    2016-01-01

    Rotational and vibrational rate coefficients of CN in collisions with H2 are essential for modeling CN infrared spectra in interstellar gas. We report here full-dimensional potential energy surface (PES) and rovibrational scattering calculations for the CN-H2 collision system.A full-dimensional (6D) PES was calculated using the high-level ab initio CCSD(T)-F12B method. The invariant polynomial method was applied to fit the PES analytically in 6D. Quantum coupled-channel calculations of rotational excitation cross section of CN(j1=4) scattered by para-H2(j2=0, 2) and ortho-H2 (j2=1) were performed for collision energies ranging from 1.0 to 1500 cm-1. State-to-state rate coefficients of CN(j1=4) are computed for H2 rotational states j2=0-2. Comparison of the pure rotational cross sections and rate coefficients were made withprevious available theoretical and experimental results. For the first time we present rovibrational quenching cross sections and rate coefficients of CN in collisions with H2 on the new 6D PES.Work at UGA and Emory are supported by NASA grant NNX12AF42G, at UNLV by NSF Grant PHY-1205838, and at Penn State by NSF Grant PHY-1203228.

  11. The single particle dynamics of iodine in the Sachs-Teller regime: An inelastic x-ray scattering study

    SciTech Connect

    Izzo, M. G.; Bencivenga, F.; Di Fonzo, S.; Cunsolo, A.; Verbeni, R.; De Lorenzo, R. Gimenez

    2010-09-28

    The high frequency dynamics of liquid iodine has been investigated by deep inelastic x-ray scattering at exchanged wave-vectors (q) ranging from 2.5 to 15 A{sup -1}. The experimental data have been analyzed in the frame of the Sachs-Teller theory of the molecular spectrum while accounting for final state corrections to the lineshape. The performed data analysis carries insights on physical quantities as relevant as the mean rototranslational kinetic energy and the mean square Laplacian of the intermolecular potential. In both cases the measured values are consistent with corresponding theoretical expectations.

  12. Encapsulation of paclitaxel into a bio-nanocomposite. A study combining inelastic neutron scattering to thermal analysis and infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Martins, Murillo L.; Orecchini, Andrea; Aguilera, Luis; Eckert, Juergen; Embs, Jan; Matic, Aleksander; Saeki, Margarida J.; Bordallo, Heloisa N.

    2015-01-01

    The anticancer drug paclitaxel was encapsulated into a bio-nanocomposite formed by magnetic nanoparticles, chitosan and apatite. The aim of this drug carrier is to provide a new perspective against breast cancer. The dynamics of the pure and encapsulated drug were investigated in order to verify possible molecular changes caused by the encapsulation, as well as to follow which interactions may occur between paclitaxel and the composite. Fourier transformed infrared spectroscopy, thermal analysis, inelastic and quasi-elastic neutron scattering experiments were performed. These very preliminary results suggest the successful encapsulation of the drug.

  13. Ab initio calculations as a quantitative tool in the inelastic neutron scattering study of a single-molecule magnet analogue.

    PubMed

    Vonci, Michele; Giansiracusa, Marcus J; Gable, Robert W; Van den Heuvel, Willem; Latham, Kay; Moubaraki, Boujemaa; Murray, Keith S; Yu, Dehong; Mole, Richard A; Soncini, Alessandro; Boskovic, Colette

    2016-02-01

    Ab initio calculations carried out on the Tb analogue of the single-molecule magnet family Na9[Ln(W5O18)2] (Ln = Nd, Gd, Ho and Er) have allowed interpretation of the inelastic neutron scattering spectra. The combined experimental and theoretical approach sheds new light on the sensitivity of the electronic structure of the Tb(III) ground and excited states to small structural distortions from axial symmetry, thus revealing the subtle relationship between molecular geometry and magnetic properties of the two isostructural species that comprise the sample. PMID:26690503

  14. Study of deep inelastic scattering of polarized electrons off polarized deuterons

    SciTech Connect

    Kuriki, M.

    1996-03-01

    This thesis describes a 29GeV electron - nucleon scattering experiment carried out at Stanford Linear Accelerator Center (SLAC). Highly polarized electrons are scattered off a polarized ND{sub 3} target. Scattered electrons are detected by two spectrometers located in End Station A (ESA) at angles of 4.5{degrees} and 7{degrees} with respect to the beam axis. We have measured the spin structure function g{sub 1} of deuteron over the range of 0.029 < x < 0.8 and 1. 0 < Q{sup 2} < 12.0(GeV/c){sup 2}. This integral indicates a discrepancy of more than three standard deviations from the prediction of the Ellis-Jaffe sum rule, 0.068{+-}0.005 at Q{sup 2} = 3.0(GeV/c){sup 2} while our result of g{sub 1}{sup d} in good agreement with SMC results. Combined with g{sub 1} of the proton, the measurement of {integral}{sub 0}{sup 1}(g{sub 1}{sup d}-g{sub 1}{sup n}) is 0.169{+-}0.008. We also obtained the strong coupling constant at Q{sup 2} = 3.0(GeV/c){sup 2} to be 0.417{sub -0.110}{sup +0.086}, using the power correction for the sum rule up to third order of {alpha}{sub s}. This result is in agreement with the strong coupling constant {alpha}{sub s}(Q{sup 2}) = 3.0(GeV/c{sup 2}) obtained from various experiments. Using our deuteron results and the axial vector couplings of hyperon decays, the total quark polarization along the nucleon spin is found to be 0.286{+-}.055, implying that quarks carry only 30% of the nucleon spin. The strange sea quark polarization is also determined to be -0.101 {+-} .023. These measurements are in agreement with other experiments and provide the world`s most precise measurement of these quark polarizations. 80 refs., 151 figs., 23 tabs.

  15. Inelastic neutron scattering study of tetramethylpyrazine in the complex with chloranilic acid

    NASA Astrophysics Data System (ADS)

    Prager, M.; Pawlukojc, A.; Sobczyk, L.; Grech, E.; Grimm, H.

    2005-09-01

    The tunnel splitting of the methyl librational ground states in the hydrogen bonded tetramethylpyrazine-chloranilic acid (TMP-CLA) complex are determined for temperatures T<=28 K by high resolution neutron spectroscopy. Three tunnel modes are resolved at T = 2.4 K. Their relative intensities show that the crystal structure must be different from the proposed space group. Tunnelling and methyl librational modes from the measured density of states are combined into rotational potentials. There are discrepancies of activation energies calculated for these potentials and those obtained from quasielastic scattering of neutrons at T>=50 K due to structural differences in the two respective temperature regimes. Rotational potentials in TMP-CLA are significantly weaker as in pure TMP.

  16. Field-theoretical description of deep inelastic scattering

    SciTech Connect

    Geyer, B.; Robaschik, D.; Wieczorek, E.

    1980-01-01

    The most important theoretical notions concerning deep inelastic scattering are reviewed. Topics discussed are the model-independent approach, which is based on the general principles of quantum field theory, the application of quantum chromodynamics to deep inelastic scattering, approaches based on the quark--parton model, the light cone algebra, and conformal invariance, and also investigations in the framework of perturbation theory.

  17. High energy-resolution inelastic x-ray scattering

    SciTech Connect

    Hastings, J.B.; Moncton, D.E.; Fujii

    1984-01-01

    A brief review is presented of various aspects of high energy-resolution inelastic x-ray scattering based on synchrotron sources. We show what kinematical advantages are provided by the photon probe and propose mirror and monochromator designs to achieve an optically efficient beam line for inelastic x-ray scattering.

  18. Inelastic scattering at the B K edge of hexagonal BN

    SciTech Connect

    Jia, J.J.; Callcott, T.A.; Zhou, L.

    1997-04-01

    Many recent soft x-ray fluorescence (SXF) studies have shown that inelastic scattering processes make important contributions to the observed spectra for excitation near the x-ray threshold. These effects are all attributed to a process, usually called an electronic Raman scattering (ERS) process, in which energy is lost to an electronic excitation. The theory has been described using second order perturbation theory by Tulkki and Aberg. In different materials, the detailed nature of the electronic excitation producing the energy loss may be very different. In crystalline Si, diamond and graphite, changes in spectral shape and dispersion of spectral features with variation of the excitation energy are observed, which are attributed to k conservation between the photoelectron generated in the excitation process and the valence hole remaining after the coupled emission process. Hence the process is strongly localized in k-space. In haxagonal boron nitride, which has a lattice and band structure very similar to graphite, inelastic scattering produces very different effects on the observed spectra. Here, the inelastic losses are coupled to a strong resonant elastic scattering process, in which the intermediate state is a localized core exciton and the final state is a localized valence exciton, so that the electronic excitation is strongly localized in real rather than reciprocal space.

  19. Vibrational properties and phase transitions in II-VI materials: lattice dynamics, ab initio studies and inelastic neutron scattering measurements.

    PubMed

    Basak, Tista; Rao, Mala N; Gupta, M K; Chaplot, S L

    2012-03-21

    Inelastic neutron scattering measurements were carried out to determine the phonon density of states of ZnSe and interpreted with lattice dynamical computations (ab initio as well as a potential model). Calculations are also reported for other II-VI compounds, ZnTe and ZnS. Vibrational (phonon spectra and Grüneisen parameters), and thermal (negative thermal expansion and non-Debye specific heat) properties have been calculated and found to be in good agreement with available experimental data. This model has been further employed to study the pressure-induced solid-solid phase transitions exhibited by these compounds and the results have been compared with experimental data. Total energy calculations for zincblende and SC16 phases of ZnSe were carried out employing the pseudopotential approach under the local density approximation (LDA) as well as the generalized gradient approximation (GGA). The density functional perturbation theory is applied to study the vibrational properties of the zincblende and SC16 phases of ZnSe. An investigation of the pressure dependence of the phonon frequencies shows that the existence of the (experimentally undetected) SC16 phase as a thermodynamically stable high pressure phase is impeded due to dynamical instabilities. A detailed investigation of the polarization of phonons of different energies for the various phases of these compounds indicates that in the case of the zincblende phase the low energy modes are librational, while in the rocksalt phase the low energy modes are bending modes. Further, in ZnTe the low energy bending modes display a larger amplitude of bending than that in ZnSe and ZnS. PMID:22354098

  20. Combined inelastic neutron scattering and solid state DFT study of dynamics of hydrogen atoms in trioctahedral 1M phlogopite

    SciTech Connect

    Smrčok, Ľubomír; Kolesnikov, Alexander I; Rieder, Milan

    2012-01-01

    Inelastic neutron scattering (INS) was used to study vibrational dynamics of the hydrogen atoms in natural trioctahedral phlogopite, K0.93Na0.03(Mg2.47Fe0.22Al0.16Fe0.04Tl0.06)[Si2.84Al1.16]O10OH1.71F0.28Cl0.01, within the 50-1000 cm-1 energy range. The INS spectra collected using direct geometry spectrometer SEQUOIA at ORNL were interpreted by means of the solid-state DFT calculations covering both normal mode analysis and molecular dynamics. To optimize the structure and to calculate the vibrational modes under harmonic approximation both a hybrid PBE0 and the AM05 functional were used, while the molecular dynamics calculations (60ps/1fs) were performed only with the computationally less-demanding AM05 functional. The main contributions to the dominant band within ~750-550 cm-1 are symmetric and antisymmetric Mg-O-H bending modes, overlapping with the skeletal stretching and bending modes causing weaker secondary movements of H atoms of inner hydroxyl groups. Signatures of the Mg-O-H bending modes appear down to ~400 cm-1, where a region of octahedra deformation modes starts. These deformations cause just shallow movements of the hydrogen atoms and are mirrored by the modes with close vibrational energies. The region from ~330 cm-1 down to the low energy end of the spectrum portrays induced vibrations of the H atoms caused by deformation of individual polyhedra, translational vibrations of the parts of the 2:1 layer relative one to another, and librational and translational vibrations of the layer. The main difference between the INS spectrum of dioctahedral Al-muscovite and trioctahedral Mg-phlogopite is that the Mg-O-H modes are all assigned to in-plane vibrations of the respective hydrogen atoms.

  1. Combined inelastic neutron scattering and solid-state DFT study of dynamics of hydrogen atoms in trioctahedral 1 M phlogopite

    NASA Astrophysics Data System (ADS)

    Smrčok, L'ubomír; Kolesnikov, Alexander I.; Rieder, Milan

    2012-10-01

    Inelastic neutron scattering (INS) was used to study the vibrational dynamics of the hydrogen atoms in natural trioctahedral phlogopite, K0.93Na0.03(Mg2.47Fe0.22Al0.16Fe0.04Tl0.06)[Si2.84Al1.16]O10OH1.71F0.28Cl0.01, within the 50-1,000 cm-1 energy range. The INS spectra collected using direct geometry spectrometer SEQUOIA (ORNL) were interpreted by means of the solid-state DFT calculations covering both normal mode analysis and molecular dynamics. To optimize the structure and to calculate the vibrational modes under harmonic approximation, both a hybrid PBE0 and the AM05 functional were used, while the molecular dynamics calculations (60 ps/1 fs) were performed only with the computationally less-demanding AM05 functional. The main contributions to the dominant band within ~750-550 cm-1 are symmetric and antisymmetric Mg-O-H bending modes, overlapping with the skeletal stretching and bending modes causing weaker secondary movements of H atoms of inner hydroxyl groups. Signatures of the Mg-O-H bending modes appear down to ~400 cm-1, where a region of octahedra deformation modes starts. These deformations cause just shallow movements of the hydrogen atoms and are mirrored by the modes with close vibrational energies. The region from ~330 cm-1 down to the low-energy end of the spectrum portrays induced vibrations of the H atoms caused by deformation of individual polyhedra, translational vibrations of the parts of the 2:1 layer relative one to another, and librational and translational vibrations of the layer. The main difference between the INS spectrum of dioctahedral Al-muscovite and trioctahedral Mg-phlogopite is that the Mg-O-H modes are all assigned to in-plane vibrations of the respective hydrogen atoms.

  2. Measurement of azimuthal asymmetries in deep inelastic scattering

    NASA Astrophysics Data System (ADS)

    Breitweg, J.; Chekanov, S.; Derrick, M.; Krakauer, D.; Magill, S.; Musgrave, B.; Pellegrino, A.; Repond, J.; Stanek, R.; Yoshida, R.; Mattingly, M. C. K.; Abbiendi, G.; Anselmo, F.; Antonioli, P.; Bari, G.; Basile, M.; Bellagamba, L.; Boscherini, D.; Bruni, A.; Bruni, G.; Cara Romeo, G.; Castellini, G.; Cifarelli, L.; Cindolo, F.; Contin, A.; Coppola, N.; Corradi, M.; De Pasquale, S.; Giusti, P.; Iacobucci, G.; Laurenti, G.; Levi, G.; Margotti, A.; Massam, T.; Nania, R.; Palmonari, F.; Pesci, A.; Polini, A.; Sartorelli, G.; Zamora Garcia, Y.; Zichichi, A.; Amelung, C.; Bornheim, A.; Brock, I.; Coböken, K.; Crittenden, J.; Deffner, R.; Hartmann, H.; Heinloth, K.; Hilger, E.; Irrgang, P.; Jakob, H.-P.; Kappes, A.; Katz, U. F.; Kerger, R.; Paul, E.; Schnurbusch, H.; Stifutkin, A.; Tandler, J.; Voss, K. C.; Weber, A.; Wieber, H.; Bailey, D. S.; Barret, O.; Brook, N. H.; Foster, B.; Heath, G. P.; Heath, H. F.; McFall, J. D.; Piccioni, D.; Rodrigues, E.; Scott, J.; Tapper, R. J.; Capua, M.; Mastroberardino, A.; Schioppa, M.; Susinno, G.; Jeoung, H. Y.; Kim, J. Y.; Lee, J. H.; Lim, I. T.; Ma, K. J.; Pac, M. Y.; Caldwell, A.; Liu, W.; Liu, X.; Mellado, B.; Paganis, S.; Sampson, S.; Schmidke, W. B.; Sciulli, F.; Chwastowski, J.; Eskreys, A.; Figiel, J.; Klimek, K.; Olkiewicz, K.; Piotrzkowski, K.; Przybycień, M. B.; Stopa, P.; Zawiejski, L.; Bednarek, B.; Jeleń, K.; Kisielewska, D.; Kowal, A. M.; Kowalski, T.; Przybycień, M.; Rulikowska-Zarȩbska, E.; Suszycki, L.; Szuba, D.; Kotański, A.; Bauerdick, L. A. T.; Behrens, U.; Bienlein, J. K.; Burgard, C.; Dannheim, D.; Desler, K.; Drews, G.; Fox-Murphy, A.; Fricke, U.; Goebel, F.; Göttlicher, P.; Graciani, R.; Haas, T.; Hain, W.; Hartner, G. F.; Hasell, D.; Hebbel, K.; Johnson, K. F.; Kasemann, M.; Koch, W.; Kötz, U.; Kowalski, H.; Lindemann, L.; Löhr, B.; Martínez, M.; Milite, M.; Monteiro, T.; Moritz, M.; Notz, D.; Pelucchi, F.; Petrucci, M. C.; Rohde, M.; Saull, P. R. B.; Savin, A. A.; Schneekloth, U.; Selonke, F.; Sievers, M.; Stonjek, S.; Tassi, E.; Wolf, G.; Wollmer, U.; Youngman, C.; Zeuner, W.; Coldewey, C.; Lopez-Duran Viani, A.; Meyer, A.; Schlenstedt, S.; Straub, P. B.; Barbagli, G.; Gallo, E.; Pelfer, P.; Maccarrone, G.; Votano, L.; Bamberger, A.; Benen, A.; Eisenhardt, S.; Markun, P.; Raach, H.; Wölfle, S.; Bussey, P. J.; Doyle, A. T.; Lee, S. W.; Macdonald, N.; McCance, G. J.; Saxon, D. H.; Sinclair, L. E.; Skillicorn, I. O.; Waugh, R.; Bohnet, I.; Gendner, N.; Holm, U.; Meyer-Larsen, A.; Salehi, H.; Wick, K.; Garfagnini, A.; Gialas, I.; Gladilin, L. K.; Kçira, D.; Klanner, R.; Lohrmann, E.; Poelz, G.; Zetsche, F.; Goncalo, R.; Long, K. R.; Miller, D. B.; Tapper, A. D.; Walker, R.; Mallik, U.; Cloth, P.; Filges, D.; Ishii, T.; Kuze, M.; Nagano, K.; Tokushuku, K.; Yamada, S.; Yamazaki, Y.; Ahn, S. H.; Lee, S. B.; Park, S. K.; Lim, H.; Park, I. H.; Son, D.; Barreiro, F.; García, G.; Glasman, C.; Gonzalez, O.; Labarga, L.; del Peso, J.; Redondo, I.; Terrón, J.; Barbi, M.; Corriveau, F.; Hanna, D. S.; Ochs, A.; Padhi, S.; Riveline, M.; Stairs, D. G.; Wing, M.; Tsurugai, T.; Bashkirov, V.; Dolgoshein, B. A.; Dementiev, R. K.; Ermolov, P. F.; Golubkov, Y. A.; Katkov, I. I.; Khein, L. A.; Korotkova, N. A.; Korzhavina, I. A.; Kuzmin, V. A.; Lukina, O. Y.; Proskuryakov, A. S.; Shcheglova, L. M.; Solomin, A. N.; Vlasov, N. N.; Zotkin, S. A.; Bokel, C.; Botje, M.; Brümmer, N.; Engelen, J.; Grijpink, S.; Koffeman, E.; Kooijman, P.; Schagen, S.; van Sighem, A.; Tiecke, H.; Tuning, N.; Velthuis, J. J.; Vossebeld, J.; Wiggers, L.; de Wolf, E.; Acosta, D.; Bylsma, B.; Durkin, L. S.; Gilmore, J.; Ginsburg, C. M.; Kim, C. L.; Ling, T. Y.; Boogert, S.; Cooper-Sarkar, A. M.; Devenish, R. C. E.; Große-Knetter, J.; Matsushita, T.; Ruske, O.; Sutton, M. R.; Walczak, R.; Bertolin, A.; Brugnera, R.; Carlin, R.; Dal Corso, F.; Dosselli, U.; Dusini, S.; Limentani, S.; Morandin, M.; Posocco, M.; Stanco, L.; Stroili, R.; Voci, C.; Adamczyk, L.; Iannotti, L.; Oh, B. Y.; Okrasiński, J. R.; Toothacker, W. S.; Whitmore, J. J.; Iga, Y.; D'Agostini, G.; Marini, G.; Nigro, A.; Cormack, C.; Hart, J. C.; McCubbin, N. A.; Shah, T. P.; Epperson, D.; Heusch, C.; Sadrozinski, H. F.-W.; Seiden, A.; Wichmann, R.; Williams, D. C.; Pavel, N.; Abramowicz, H.; Dagan, S.; Kananov, S.; Kreisel, A.; Levy, A.; Abe, T.; Fusayasu, T.; Umemori, K.; Yamashita, T.; Hamatsu, R.; Hirose, T.; Inuzuka, M.; Kitamura, S.; Nishimura, T.; Arneodo, M.; Cartiglia, N.; Cirio, R.; Costa, M.; Ferrero, M. I.; Maselli, S.; Monaco, V.; Peroni, C.; Ruspa, M.; Sacchi, R.; Solano, A.; Staiano, A.; Dardo, M.; Bailey, D. C.; Fagerstroem, C.-P.; Galea, R.; Koop, T.; Levman, G. M.; Martin, J. F.; Orr, R. S.; Polenz, S.; Sabetfakhri, A.; Simmons, D.; Butterworth, J. M.; Catterall, C. D.; Hayes, M. E.; Heaphy, E. A.; Jones, T. W.; Lane, J. B.; West, B. J.; Ciborowski, J.; Ciesielski, R.; Grzelak, G.; Nowak, R. J.; Pawlak, J. M.; Pawlak, R.; Smalska, B.; Tymieniecka, T.; Wróblewski, A. K.; Zakrzewski, J. A.; Z˙arnecki, A. F.; Adamus, M.; Gadaj, T.; Deppe, O.; Eisenberg, Y.; Hochman, D.; Karshon, U.; Badgett, W. F.; Chapin, D.; Cross, R.; Foudas, C.; Mattingly, S.; Reeder, D. D.; Smith, W. H.; Vaiciulis, A.; Wildschek, T.; Wodarczyk, M.; Deshpande, A.; Dhawan, S.; Hughes, V. W.; Bhadra, S.; Catterall, C.; Cole, J. E.; Frisken, W. R.; Hall-Wilton, R.; Khakzad, M.; Menary, S.

    2000-05-01

    The distribution of the azimuthal angle for the charged hadrons has been studied in the hadronic centre-of-mass system for neutral current deep inelastic positron-proton scattering with the ZEUS detector at HERA. Measurements of the dependence of the moments of this distribution on the transverse momenta of the charged hadrons are presented. Asymmetries that can be unambiguously attributed to perturbative QCD processes have been observed for the first time.

  3. Magnetic Transitions in Iron Porphyrin Halides by Inelastic Neutron Scattering and Ab-initio Studies of Zero-Field Splittings

    SciTech Connect

    Stavretis, Shelby E.; Atanasov, Mihail; Podlesnyak, Andrey A.; Hunter, Seth C.; Neese, Frank; Xue, Zi-Ling

    2015-10-02

    Zero-field splitting (ZFS) parameters of nondeuterated metalloporphyrins [Fe(TPP)X] (X = F, Br, I; H2TPP = tetraphenylporphyrin) are determined by inelastic neutron scattering (INS). The ZFS values are D = 4.49(9) cm–1 for tetragonal polycrystalline [Fe(TPP)F], and D = 8.8(2) cm–1, E = 0.1(2) cm–1 and D = 13.4(6) cm–1, E = 0.3(6) cm–1 for monoclinic polycrystalline [Fe(TPP)Br] and [Fe(TPP)I], respectively. Along with our recent report of the ZFS value of D = 6.33(8) cm–1 for tetragonal polycrystalline [Fe(TPP)Cl], these data provide a rare, complete determination of ZFS parameters in a metalloporphyrin halide series. The electronic structure of [Fe(TPP)X] (X = F, Cl, Br, I) has been studied by multireference ab initio methods: the complete active space self-consistent field (CASSCF) and the N-electron valence perturbation theory (NEVPT2) with the aim of exploring the origin of the large and positive zero-field splitting D of the 6A1 ground state. D was calculated from wave functions of the electronic multiplets spanned by the d5 configuration of Fe(III) along with spin–orbit coupling accounted for by quasi degenerate perturbation theory. Results reproduce trends of D from inelastic neutron scattering data increasing in the order from F, Cl, Br, to I. A mapping of energy eigenvalues and eigenfunctions of the S = 3/2 excited states on ligand field theory was used to characterize the σ- and π-antibonding effects decreasing from F to I. This is in agreement with similar results deduced from ab initio calculations on CrX63- complexes and also with the spectrochemical series showing a decrease of the ligand field in the same directions. A correlation is found between the increase of D and decrease of the π- and σ-antibonding energies eλX (λ = σ, π) in the series from X = F to I. Analysis of this

  4. Inelastic neutron scattering study of methyl groups rotation in some methylxanthines

    NASA Astrophysics Data System (ADS)

    Prager, M.; Pawlukojc, A.; Wischnewski, A.; Wuttke, J.

    2007-12-01

    The three isomeric dimethylxanthines and trimethylxanthine are studied by neutron spectroscopy up to energy transfers of 100meV at energy resolutions ranging from 0.7μeV to some meV. The loss of elastic intensity with increasing temperature can be modeled by quasielastic methyl rotation. The number of inequivalent methyl groups is in agreement with those of the room temperature crystal structures. Activation energies are obtained. In the case of theophylline, a doublet tunneling band is observed at 15.1 and 17.5μeV. In theobromine, a single tunneling band at 0.3μeV is found. Orientational disorder in caffeine leads to a 2.7μeV broad distribution of tunneling bands around the elastic line. At the same time, broad low energy phonon spectra characterize an orientational glassy state with weak methyl rotational potentials. Librational energies of the dimethylxanthines are clearly seen in the phonon densities of states. Rotational potentials can be derived which explain consistently all observables. While their symmetry in general is threefold, theophylline shows a close to sixfold potential reflecting a mirror symmetry.

  5. High-energy magnetic excitations in overdoped La2 -xSrxCuO4 studied by neutron and resonant inelastic x-ray scattering

    NASA Astrophysics Data System (ADS)

    Wakimoto, S.; Ishii, K.; Kimura, H.; Fujita, M.; Dellea, G.; Kummer, K.; Braicovich, L.; Ghiringhelli, G.; Debeer-Schmitt, L. M.; Granroth, G. E.

    2015-05-01

    We have performed neutron inelastic scattering and resonant inelastic x-ray scattering (RIXS) at the Cu-L3 edge to study high-energy magnetic excitations at energy transfers of more than 100 meV for overdoped La2 -xSrxCuO4 with x =0.25 (Tc=15 K) and x =0.30 (nonsuperconducting) using identical single-crystal samples for the two techniques. From constant-energy slices of neutron-scattering cross sections, we have identified magnetic excitations up to ˜250 meV for x =0.25 . Although the width in the momentum direction is large, the peak positions along the (π ,π ) direction agree with the dispersion relation of the spin wave in the nondoped La2CuO4 (LCO), which is consistent with the previous RIXS results of cuprate superconductors. Using RIXS at the Cu-L3 edge, we have measured the dispersion relations of the so-called paramagnon mode along both (π ,π ) and (π ,0 ) directions. Although in both directions the neutron and RIXS data connect with each other and the paramagnon along (π ,0 ) agrees well with the LCO spin-wave dispersion, the paramagnon in the (π ,π ) direction probed by RIXS appears to be less dispersive and the excitation energy is lower than the spin wave of LCO near (π /2 ,π /2 ) . Thus, our results indicate consistency between neutron inelastic scattering and RIXS, and elucidate the entire magnetic excitation in the (π ,π ) direction by the complementary use of two probes. The polarization dependence of the RIXS profiles indicates that appreciable charge excitations exist in the same energy range of magnetic excitations, reflecting the itinerant character of the overdoped sample. A possible anisotropy in the charge excitation intensity might explain the apparent differences in the paramagnon dispersion in the (π ,π ) direction as detected by the x-ray scattering.

  6. Inelastic neutron scattering in valence fluctuation compounds

    SciTech Connect

    Jon M Lawrence

    2011-02-15

    The valence fluctuation compounds are rare earth intermetallics where hybridization of the nearly-localized 4f electrons with the conduction electrons leads to incorporation of the 4f's into the itinerant states. This hybridization slows down the conduction electrons and hence gives them a heavy effective mass, justifying application of the term 'heavy Fermion' (HF) to these materials. During the project period, we grew large single crystals of several such compounds and measured their properties using both standard thermodynamic probes and state-of-the-art inelastic neutron scattering. We obtained three main results. For the intermediate valence compounds CePd{sub 3} and YbAl{sub 3}, we showed that the scattering of neutrons by the fluctuations of the 4f magnetic moment does not have the momentum dependence expected for the itinerant heavy mass state; rather, the scattering is more typical of a localized spin fluctuation. We believe that incoherent scattering localizes the excitation. For the heavy Fermion compound Ce(Ni{sub 0.935}Pd{sub 0.065}){sub 2}Ge{sub 2}, which sits at a T = 0 critical point for transformation into an antiferromagnetic (AF) phase, we showed that the scattering from the AF fluctuations does not exhibit any of the divergences that are expected at a phase transition. We speculate that alloy disorder profoundly suppresses the growth of the fluctuating AF regions, leading to short range clusters rather than regions of infinite size. Finally, we explored the applicability of key concepts used to describe the behavior of rare earth heavy Fermions to uranium based HF compounds where the 5f electrons are itinerant as opposed to localized. We found that scaling laws relating the spin fluctuation energy measured in neutron scattering to the low temperature specific heat and susceptibility are valid for the uranium compounds, once corrections are made for AF fluctuations; however, the degeneracy of the high temperature moment is smaller than expected

  7. Electronic properties of epitaxial cerium oxide films during controlled reduction and oxidation studied by resonant inelastic X-ray scattering.

    PubMed

    Gasperi, Gabriele; Amidani, Lucia; Benedetti, Francesco; Boscherini, Federico; Glatzel, Pieter; Valeri, Sergio; Luches, Paola

    2016-07-27

    We investigated the evolution of the electronic structure of cerium oxide ultrathin epitaxial films during reduction and oxidation processes using resonant inelastic X-ray scattering at the Ce L3 absorption edge, a technique sensitive to the electronic configurations at the 4f levels and in the 5d band thanks to its high energy resolution. We used thermal treatments in high vacuum and in oxygen partial pressure to induce a controlled and reversible degree of reduction in cerium oxide ultrathin epitaxial films of different thicknesses. Two dominant spectral components contribute to the measured spectra at the different degrees of oxidation/reduction. In ultrathin films a modification of the electronic properties associated with platinum substrate proximity and with dimensionality is identified. The different electronic properties induce a higher reducibility in ultrathin films, ascribed to a decrease of the surface oxygen vacancy formation energy. PMID:27405957

  8. Inelastic neutron scattering study of phonon density of states in nanostructured Si1 xGex thermoelectrics

    SciTech Connect

    Dhital, Chetan; Abernathy, Douglas L; Zhu, Gaohua; Ren, Zhifeng; Broido, D.; Wilson, Stephen D

    2012-01-01

    Inelastic neutron scattering measurements are utilized to explore relative changes in the generalized phonon density of states of nanocrystalline Si1 xGex thermoelectric materials prepared via ball-milling and hot-pressing techniques. Dynamic signatures of Ge clustering can be inferred from the data by referencing the resulting spectra to a density functional theoretical model assuming homogeneous alloying via the virtual-crystal approximation. Comparisons are also presented between as-milled Si nanopowder and bulk, polycrystalline Si where a preferential low-energy enhancement and lifetime broadening of the phonon density of states appear in the nanopowder. Negligible differences are however observed between the phonon spectra of bulk Si andhot-pressed, nanostructured Si samples suggesting that changes to the single-phonon dynamics above 4 meV play only a secondary role in the modified heat conduction of this compound.

  9. Quasi-zero dimensional CuB2O4: a resonant inelastic X-ray scattering case study

    SciTech Connect

    Hancock, J.N.

    2010-04-29

    We explore the general phenomenology of resonant inelastic scattering (RIXS) using CuB{sub 2}O{sub 4}, a network of CuO{sub 4} plaquettes electronically isolated by B{sup +3} ions. Spectra show a small number of well-separated features, and we exploit the simple electronic structure to explore RIXS phenomenology by developing a calculation which allows for intermediate-state effects ignored in standard approaches. These effects are found to be non-negligible and good correspondence between our model and experiment leads to a simple picture of such phenomenology as the genesis of d {yields} d excitations at the K edge and intermediate-state interference effects.

  10. Inelastic-neutron-scattering study of the Er3+ energy levels in ErBa2Cu3O7

    NASA Astrophysics Data System (ADS)

    Soderholm, L.; Loong, C.-K.; Kern, S.

    1992-05-01

    Magnetic excitation spectra of ErBa2Cu3O7 have been measured by use of inelastic neutron scattering. Optimal experimental conditions allow the resolution of the transitions between the Er3+ ground state and all seven excited states within the 4I15/2 Russell-Saunders ground multiplet. The data are analyzed in terms of an intermediate-coupling crystal-field model, calculated using spherical-tensor techniques. Calculated spectra based on the results of this analysis are consistent with all experimental spectra, including those obtained at higher temperatures. The eigenfunctions and eigenvalues obtained from this analysis are used to calculate the magnetic properties expected of Er3+ in this crystal environment.

  11. Carbonate-Bridged Lanthanoid Triangles: Single-Molecule Magnet Behavior, Inelastic Neutron Scattering, and Ab Initio Studies.

    PubMed

    Giansiracusa, Marcus J; Vonci, Michele; Van den Heuvel, Willem; Gable, Robert W; Moubaraki, Boujemaa; Murray, Keith S; Yu, Dehong; Mole, Richard A; Soncini, Alessandro; Boskovic, Colette

    2016-06-01

    Optimization of literature synthetic procedures has afforded, in moderate yield, homogeneous and crystalline samples of the five analogues Na11[{RE(OH2)}3CO3(PW9O34)2] (1-RE; RE = Y, Tb, Dy, Ho, and Er). Phase-transfer methods have allowed isolation of the mixed salts (Et4N)9Na2[{RE(OH2)}3CO3(PW9O34)2] (2-RE; RE = Y and Er). The isostructural polyanions in these compounds are comprised of a triangular arrangement of trivalent rare-earth ions bridged by a μ3-carbonate ligand and sandwiched between two trilacunary Keggin {PW9O34} polyoxometalate ligands. Alternating-current (ac) magnetic susceptibility studies of 1-Dy, 1-Er, and 2-Er reveal the onset of frequency dependence for the out-of-phase susceptibility in the presence of an applied magnetic field at the lowest measured temperatures. Inelastic neutron scattering (INS) spectra of 1-Ho and 1-Er exhibit transitions between the lowest-lying crystal-field (CF) split states of the respective J = 8 and (15)/2 ground-state spin-orbit multiplets of the Ho(III) and Er(III) ions. Complementary ab initio calculations performed for these two analogues allow excellent reproduction of the experimental magnetic susceptibility and low-temperature magnetization data and are in reasonable agreement with the experimental INS data. The ab initio calculations reveal that the slight difference in coordination environments of the three Ln(III) ions in each complex gives rise to differences in the CF splitting that are not insignificant. This theoretical result is consistent with the observation of multiple relaxation processes by ac magnetic susceptibility and the broadness of the measured INS peaks. The ab initio calculations also indicate substantial mixing of the MJ contributions to the CF split energy levels of each Ln(III) ion. Calculations indicate that the CF ground states of the Ho(III) centers in 1-Ho are predominantly comprised of contributions from small MJ, while those of the Er(III) centers in 1-Er are predominantly

  12. Inelastic x-ray scattering at modest energy resolution

    SciTech Connect

    Finkelstein, K. D.; Tischler, J. Z.; Larson, B. C.

    1997-07-01

    We report results from the development of an inelastic scattering spectrometer designed to take advantage of high energy synchrotron radiation available at CHESS. The device allows a large increase of the effective scattering volume in the sample by permitting measurements to be made in an energy range up to 25 KeV. The highest useable energy appears limited by the efficiency of the analyzers under consideration. At 20 KeV a novel 4-bounce, sagittal focusing monochromator passes 10e11 photons/second with Darwin width limited energy resolution. In the scattering plane, the monochromator images the electron beam producing a small scattering source for the analyzing optics. Analyzer systems under study include a cooled mosaic crystal in para-focusing geometry, and an adjustable spherically bent silicon crystal respectively for parallel and point-by-point collection of the energy loss spectrum. This paper discusses the optical configurations presents results from our early measurements and suggests directions for improvements.

  13. Inclusive inelastic scattering of heavy ions and nuclear correlations

    NASA Technical Reports Server (NTRS)

    Cucinotta, Francis A.; Townsend, Lawrence W.; Wilson, John W.; Khandelwal, Govind S.

    1990-01-01

    Calculations of inclusive inelastic scattering distributions for heavy ion collisions are considered within the high energy optical model. Using ground state sum rules, the inclusive projectile and complete projectile-target inelastic angular distributions are treated in both independent particle and correlated nuclear models. Comparisons between the models introduced are made for alpha particles colliding with He-4, C-12, and O-16 targets and protons colliding with O-16. Results indicate that correlations contribute significantly, at small momentum transfers, to the inelastic sum. Correlation effects are hidden, however, when total scattering distributions are considered because of the dominance of elastic scattering at small momentum transfers.

  14. Study of rlastic and inelastic {sup 11}B +α scattering and search for cluster states of enlarged radius in {sup 11}B

    SciTech Connect

    Danilov, A. N. Demyanova, A. S.; Dmitriev, S. V.; Ogloblin, A. A.; Belyaeva, T. L.; Goncharov, S. A.; Gurov, Yu. B.; Maslov, V. A.; Sobolev, Yu. G.; Trzaska, W.; Khlebnikov, S. V.; Heikkinen, P.; Julin, R.; Tyurin, G. P.; Burtebaev, N.; Zholdybayev, T.

    2015-09-15

    The differential cross sections for elastic and inelastic {sup 11}B + α scattering were measured at the alpha-particle energy of 65 MeV, the inelastic-scattering processes leading to the excitation of known states of {sup 11}B up to excitation energies of about 14 MeV. Data on elastic scattering were analyzed together with those that were published earlier for lower energies. The cross sections for inelastic scattering were analyzed on the basis of the distorted-wave method. A modified diffractionmodel was used to determine the root-mean-square radii of excited states. The radii of states whose excitation energies were below about 7MeV were found to agree with radius of the ground state to within 0.1 to 0.15 fm. This result complieswith the traditional idea that the low-lying states of {sup 11}B have a shell structure. The possibility that these states belong to the predicted rotational bands, which, if any, are truncated to three states, cannot be ruled out either. The majority of the observed highly excited states are distributed among four rotational bands. The moments of inertia of these bands are close; for the band based on the 3/2{sup −} state at E* = 8.56 MeV, they are even higher than those of the Hoyle state in the {sup 12}C nucleus. The measured radii of states associated with these bands of {sup 11}B are larger than the ground-state radius by 0.7 to 1.0 fm and are also close to the radius of the Hoyle state. The results of the present study agree with the existing predictions that the cluster structure of the {sup 11}B nucleus is diverse at high excitation energies. The hypothesis that the {sup 11}B nucleus features a “giant” state of size commensurate with those in heavy nuclei was not confirmed.

  15. Probabilistic description of particle transport. III. Inelastic scattering

    SciTech Connect

    Goulet, T.; Keszei, E.; Jay-Gerin, J. Departement de Medecine Nucleaire et de Radiobiologie, Faculte de Medecine, Universite de Sherbrooke, Sherbrooke, PQ )

    1990-06-01

    We extend our probabilistic model of quasielastic particle transport to include possible inelastic scatterings of the particles in the bulk of the studied media. We show that this extended model can be used to describe different types of experiments involving electrons that go through or are reflected by a plane-parallel layer deposited on a substrate. In particular, we reanalyze the experimental results of low-energy ({approx lt}10 eV) electron transmission through solid xenon and solid molecular nitrogen. This analysis shows that the extended model is consistent with the quasielastic one, but is more powerful since we can now determine both the elastic and inelastic electron mean free paths. The analysis allows one to study the threshold creation of excitons that can be observed at about 8.5 and 9.5 eV in solid xenon, and around 7.5 eV in solid molecular nitrogen.

  16. Quantum scattering studies of electronically inelastic collisions of N + 2(X 2Sigma + g, A 2Pi u) with He

    NASA Astrophysics Data System (ADS)

    Berning, Andreas; Werner, Hans-Joachim

    1994-02-01

    The potential energy surfaces (PESs) of the three lowest electronic states of the system N+2+He have been computed using accurate multiconfiguration-reference configuration (MRCI) wave functions and a large basis set. The approach of the He atom leads to nonadiabatic mixing of the A 2Πu(A') and X 2Σ+g(A') states of N+2. The three adiabatic interaction potentials have been transformed into a set of four diabatic potentials, one of which describes the collision-induced nonadiabatic coupling between the two A' states. The computed potentials have been fitted to analytical functions and used in quantum scattering calculations for electronically inelastic transitions between individual rovibrational levels of the A 2Πu and the X 2Σ+g states of N+2. Our results are compared to transitions observed experimentally by Katayama and co-workers between the rotational levels of the A,v=3 and 4 and X,v=6, 7, and 8 vibrational manifolds. In general, good agreement is found for transitions between nearly isoenergetic vibrational states. However, for transitions which traverse large energy gaps, we obtained cross sections which are several orders of magnitude smaller than experimentally observed. Inclusion of the vibrational degree of freedom of the N+2 molecule in the scattering calculations was found to have only an insignificant effect on the transition probabilities.

  17. Inelastic neutron scattering studies of 76Ge and 76Se: relevance to elevance to neutrinoless double-β decay

    NASA Astrophysics Data System (ADS)

    Crider, B. P.; Peters, E. E.; Ross, T. J.; McEllistrem, M. T.; Prados-Estévez, F. M.; Allmond, J. M.; Vanhoy, J. R.; Yates, S. W.

    2015-05-01

    Inelastic neutron scattering measurements were performed at the University of Kentucky Accelerator Laboratory on enriched 76Ge and 76Se scattering samples. From measurements at incident neutron energies from 2.0 to 4.0 MeV, many new levels were identified and characterized in each nucleus; level lifetimes, transition probabilities, multipole mixing ratios, and other properties were determined. In addition, γ-ray cross sections for the 76Ge(n,n'γ) reaction were measured at neutron energies up to 5.0 MeV, with the goal of determining the cross sections of γ rays in 2040-keV region, which corresponds to the region of interest in the neutrinoless double β decay of 76Ge. Gamma rays from the three strongest branches from the 3952-keV level were observed, but the previously reported 2041-keV γ ray was not. Population cross sections across the range of incident neutron energies were determined for the 3952-keV level, resulting in a cross section of ~0.1 mb for the 2041-keV branch using the previously determined branching ratios. Beyond this, the data from these experiments indicate that previously unreported γ rays from levels in 76Ge can be found in the 2039-keV region.

  18. Inelastic neutron scattering studies of Ge-76 and Se-76: relevance to neutrinoless double-beta decay

    SciTech Connect

    Crider, Ben; Peters, Erin; Ross, T.J.; McEllistrem, M; Prados-Estevez, F.; Allmond, James M; Vanhoy, J.R.; Yates, S.W.

    2015-01-01

    Inelastic neutron scattering measurements were performed at the University of Kentucky Accelerator Laboratory on enriched Ge-76 and Se-76 scattering samples. From measurements at incident neutron energies from 2.0 to 4.0 MeV, many new levels were identified and characterized in each nucleus; level lifetimes, transition probabilities, multipole mixing ratios, and other properties were determined. In addition, gamma-ray cross sections for the Ge-76(n,n'gamma) reaction were measured at neutron energies up to 5.0 MeV, with the goal of determining the cross sections of gamma rays in 2040-keV region, which corresponds to the region of interest in the neutrinoless double beta decay of Ge-76. Gamma rays from the three strongest branches from the 3952-keV level were observed, but the previously reported 2041-keV gamma ray was not. Population cross sections across the range of incident neutron energies were determined for the 3952-keV level, resulting in a cross section of similar to 0.1 mb for the 2041-keV branch using the previously determined branching ratios. Beyond this, the data from these experiments indicate that previously unreported gamma rays from levels in Ge-76 can be found in the 2039-keV region.

  19. Anharmonic lattice dynamics of Ag2O studied by inelastic neutron scattering and first-principles molecular dynamics simulations

    SciTech Connect

    Lan, Tian; Li, Chen; Niedziela, Jennifer L; Smith, Hillary; Abernathy, Douglas L; Rossman, George; Fultz, B.

    2014-01-01

    Inelastic neutron scattering measurements on silver oxide (Ag2O) with the cuprite structure were performed at temperatures from 40 to 400 K, and Fourier transform far-infrared spectra were measured from 100 to 300 K. The measured phonon densities of states and the infrared spectra showed unusually large energy shifts with temperature, and large linewidth broadenings. First principles molecular dynamics (MD) calculations were performed at various temperatures, successfully accounting for the negative thermal expansion (NTE) and local dynamics. Using the Fourier-transformed velocity autocorrelation method, the MD calculations reproduced the large anharmonic effects of Ag2O, and were in excellent agreement with the neutron scattering data. The quasiharmonic approximation (QHA) was less successful in accounting for much of the phonon behavior. The QHA could account for some of the NTE below 250 K, although not at higher temperatures. Strong anharmonic effects were found for both phonons and for the NTE. The lifetime broadenings of Ag2O were explained by anharmonic perturbation theory, which showed rich interactions between the Ag-dominated modes and the O-dominated modes in both up- and down-conversion processes.

  20. In situ measurement of inelastic light scattering in natural waters

    NASA Astrophysics Data System (ADS)

    Hu, Chuanmin

    Variation in the shape of solar absorption (Fraunhofer) lines are used to study the inelastic scattering in natural waters. In addition, oxygen absorption lines near 689nm are used to study the solar stimulated chlorophyll fluorescence. The prototype Oceanic Fraunhofer Line Discriminator (OFLD) has been further developed and improved by using a well protected fiber optic - wire conductor cable and underwater electronic housing. A Monte-Carlo code and a simple code have been modified to simulate the Raman scattering, DOM fluorescence and chlorophyll fluorescence. A series of in situ measurements have been conducted in clear ocean waters in the Florida Straits, in the turbid waters of Florida Bay, and in the vicinity of a coral reef in the Dry Tortugas. By comparing the reduced data with the model simulation results, the Raman scattering coefficient, b r with an excitation wavelength at 488nm, has been verified to be 2.6 × 10-4m-1 (Marshall and Smith, 1990), as opposed to 14.4 × 10- 4m-1 (Slusher and Derr, 1975). The wavelength dependence of b r cannot be accurately determined from the data set as the reported values (λ m-4 to λ m- 5) have an insignificant effect in the natural underwater light field. Generally, in clear water, the percentage of inelastic scattered light in the total light field at /lambda < 510nm is negligible for the whole water column, and this percentage increases with depth at /lambda > 510nm. At low concentrations (a y(/lambda = 380nm) less than 0.1m-1), DOM fluorescence plays a small role in the inelastic light field. However, chlorophyll fluorescence is much stronger than Raman scattering at 685nm. In shallow waters where a sea bottom affects the ambient light field, inelastic light is negligible for the whole visible band. Since Raman scattering is now well characterized, the new OFLD can be used to measure the solar stimulated in situ fluorescence. As a result, the fluorescence signals of various bottom surfaces, from coral to

  1. Deep inelastic lepton scattering from nucleons and nuclei

    SciTech Connect

    Berger, E.L.

    1986-02-01

    A pedagogical review is presented of results obtained from inclusive deep inelastic scattering of leptons from nucleons and nuclei, with particular emphasis on open questions to be explored in future experiments.

  2. Resonant inelastic x-ray scattering study at the oxygen K-edge of corner-shared Sr2CuO3 cuprate

    NASA Astrophysics Data System (ADS)

    Kumar, Umesh; Schlappa, Justine; Zhou, Kejin; Singh, Surjeet; Strocov, Vladimir; Revcolevschi, Alexandre; Rønnow, Henrik; Johnston, Steven; Schmitt, Thorsten

    We present a resonant inelastic x-ray scattering (RIXS) study at the oxygen K-edge of the spin-chain system Sr2CuO3. We investigate this system using small cluster exact diagonalization calculations for a microscopic model that considers all the orbitals of Cu and O in CuO3-unit cell. Using a canonical parameter set, we compute the XAS and RIXS spectra in comparison to the experiment. This allows us to identify the dd- and charge transfer excitations in the observed spectrum. We also infer the presence of several low energy excitations that may be related to phononic and/or magnetic excitations.

  3. Semi-inclusive Deep Inelastic Scattering at Small-x

    SciTech Connect

    Marquet, C.; Xiao, B.-W.; Yuan, Feng

    2009-05-29

    We study the semi-inclusive hadron production in deep inelastic scattering at small-x.A transverse momentum dependent factorization is found consistent with the resultscalculated in the color-dipole framework in the appropriate kinematic region. The transverse momentum dependent quark distribution can be studied in this processas a probe for the small-x saturation physics. Especially, the ratio of the quark distributions as functions of transverse momentum at different x demonstrates strong dependence on the saturation scale. The Q2 dependence of the same ratio is also studied by applying the Collins-Soper-Sterman resummation method.

  4. Nuclear Structure Relevant to Double-beta Decay: Studies of 76Ge and 76Se using Inelastic Neutron Scattering

    NASA Astrophysics Data System (ADS)

    Crider, Benjamin P.

    While neutrino oscillations indicate that neutrino flavors mix and that neutrinos have mass, they do not supply information on the absolute mass scale of the three flavors of neutrinos. Currently, the only viable way to determine this mass scale is through the observation of the theoretically predicted process of neutrinoless double-beta decay (0nubetabeta). This yet-to-be-observed decay process is speculated to occur in a handful of nuclei and has predicted half-lives greater than 1025 years. Observation of 0nubetabeta is the goal of several large-scale, multinational efforts and consists of detecting a sharp peak in the summed energies at the Q-value of the reaction. An exceptional candidate for the observation of 0nubetabeta is 76Ge, which offers an excellent combination of capabilities and sensitivities, and two such collaborations, MAJORANA and GERDA, propose tonne-scale experiments that have already begun initial phases using a fraction of the material. The absolute scale of the neutrino masses hinges on a matrix element, which depends on the ground-state wave functions for both the parent (76Ge) and daughter (76Se) nuclei in the 0nubetabeta decay and can only be calculated from nuclear structure models. Efforts to provide information on the applicability of these models have been undertaken at the University of Kentucky Accelerator Laboratory using gamma-ray spectroscopy following inelastic scattering reactions with monoenergetic, accelerator-produced fast neutrons. Information on new energy levels and transitions, spin and parity assignments, lifetimes, multipole mixing ratios, and transition probabilities have been determined for 76Se, the daughter of 76Ge 0nubetabeta, up to 3.0 MeV. Additionally, inaccuracies in the accepted level schemes have been addressed. Observation of 0nubetabeta requires precise knowledge of potential contributors to background within the region of interest, i.e., approximately 2039 keV for 76Ge. In addition to backgrounds

  5. An inelastic nuclear resonant scattering study of partial entropies of ordered and disordered Fe{sub 3}Al

    SciTech Connect

    Fultz, B.; Sturhahn, W.; Toellner, T. S.; Alp, E. E.

    1999-11-29

    Inelastic nuclear resonant scattering spectra were measured on alloys of Fe{sub 3}Al that were chemically disordered, partially-ordered, and DO{sub 3}-ordered. The phonon partial DOS for {sup 57}Fe atoms were extracted from these data, and the change upon disordering in the partial vibrational entropy of Fe atoms was obtained. By comparison to previous calorimetry measurements, it is shown that the contribution of the Fe atoms to the vibrational entropy is a factor of 10 smaller than that of the Al atoms. With the assistance of Born - von Karman model calculations on the ordered alloy, it is shown that differences in the vibrational entropy originate primarily with changes in the optical modes upon disordering. The phonon DOS of {sup 57}Fe was found to change systematically with chemical short range order in the alloy. It is argued that changes in the vibrational entropy originate primarily with changes in the chemical short-range order in the alloy, as opposed to long-range order.

  6. Structure of Alkali Borate Glasses at High Pressure: B and Li K-Edge Inelastic X-Ray Scattering Study

    SciTech Connect

    Lee, Sung Keun; Eng, Peter J.; Mao, Ho-kwang; Meng, Yue; Shu, Jinfu

    2008-06-16

    We report the first in situ boron K-edge inelastic x-ray scattering (IXS) spectra for alkali borate glasses (Li{sub 2}B{sub 4}O{sub 7}) at high pressure up to 30 GPa where pressure-induced coordination transformation from three-coordinated to four-coordinated boron was directly probed. Coordination transformation (reversible upon decompression) begins around 5 GPa and the fraction of four-coordinated boron increases with pressure from about 50% (at 1 atm) to more than 95% (at 30 GPa) with multiple densification mechanisms, evidenced by three distinct pressure ranges for (d{sup [4]}B/dP){sub T}. The lithium K-edge IXS spectrum for Li-borate glasses at 5 GPa shows IXS features similar to that at 1 atm, suggesting that the Li environment does not change much with pressure up to 5 GPa. These results provide improved understanding of the structure of low-z glass at high pressure.

  7. On the role of inelastic scattering in phase-plate transmission electron microscopy.

    PubMed

    Hettler, Simon; Wagner, Jochen; Dries, Manuel; Oster, Marco; Wacker, Christian; Schröder, Rasmus R; Gerthsen, Dagmar

    2015-08-01

    The phase contrast of Au nanoparticles on amorphous-carbon films with different thicknesses is analyzed using an electrostatic Zach phase plate in a Zeiss 912 Ω transmission electron microscope with in-column energy filter. Specifically, unfiltered and plasmon-filtered phase-plate transmission electron microscopy (PP TEM) images are compared to gain insight in the role of coherence after inelastic scattering processes. A considerable phase-contrast contribution resulting from a combined elastic-inelastic scattering process is found in plasmon-filtered PP TEM images. The contrast reduction compared to unfiltered images mainly originates from zero-order beam broadening caused by the inelastic scattering process. The effect of the sequence of the elastic and inelastic scattering processes is studied by varying the position of the nanoparticles, which can be either located on top or at the bottom of the amorphous-carbon film with respect to the incident electron beam direction. PMID:25879156

  8. High-energy magnetic excitations in overdoped La2-xSrxCuO4 studied by neutron and resonant inelastic X-ray scattering

    DOE PAGESBeta

    Wakimoto, S.; Ishii, K.; Kimura, H.; Fujita, M.; Dellea, G.; Kummer, K.; Braicovich, L.; Ghiringhelli, G.; Debeer-Schmitt, Lisa M.; Granroth, Garrett E.

    2015-05-21

    We have performed neutron inelastic scattering and resonant inelastic x-ray scattering (RIXS) at the Cu-L3 edge to study high-energy magnetic excitations at energy transfers of more than 100 meV for overdoped La2₋xSrxCuO4 with x=0.25 (Tc=15 K) and x=0.30 (nonsuperconducting) using identical single-crystal samples for the two techniques. From constant-energy slices of neutron-scattering cross sections, we have identified magnetic excitations up to ~250 meV for x=0.25. Although the width in the momentum direction is large, the peak positions along the (π,π) direction agree with the dispersion relation of the spin wave in the nondoped La2CuO4 (LCO), which is consistent with themore » previous RIXS results of cuprate superconductors. Using RIXS at the Cu-L3 edge, we have measured the dispersion relations of the so-called paramagnon mode along both (π,π) and (π,0) directions. Although in both directions the neutron and RIXS data connect with each other and the paramagnon along (π,0) agrees well with the LCO spin-wave dispersion, the paramagnon in the (π,π) direction probed by RIXS appears to be less dispersive and the excitation energy is lower than the spin wave of LCO near (π/2,π/2). Thus, our results indicate consistency between neutron inelastic scattering and RIXS, and elucidate the entire magnetic excitation in the (π,π) direction by the complementary use of two probes. The polarization dependence of the RIXS profiles indicates that appreciable charge excitations exist in the same energy range of magnetic excitations, reflecting the itinerant character of the overdoped sample. Lastly, we find a possible anisotropy in the charge excitation intensity might explain the apparent differences in the paramagnon dispersion in the (π,π) direction as detected by the x-ray scattering.« less

  9. [Inelastic electron scattering from surfaces]. [Progress report

    SciTech Connect

    Not Available

    1993-10-01

    This program uses ab-initio and multiple scattering to study surface dynamical processes; high-resolution electron-energy loss spectroscopy is used in particular. Off-specular excitation cross sections are much larger if electron energies are in the LEED range (50--300 eV). The analyses have been extended to surfaces of ordered alloys. Phonon eigenvectors and eigenfrequencies were used as inputs to electron-energy-loss multiple scattering cross section calculations. Work on low-energy electron and positron holography is mentioned.

  10. DEEPLY INELASTIC SCATTERING OFF NUCLEI AT RHIC.

    SciTech Connect

    VENUGOPALAN, R.

    2001-09-14

    In this talk, we discussed the physics case for an eA collider. We emphasized the novel physics that might be studied at small x. The interesting physics at intermediate x's has been discussed elsewhere [3]. Plans for an electron-ion collider include, as a major part of the program, the possibility of doing polarized electron-polarized proton/light ion scattering. A discussion of the combined case for high energy electron nucleus and polarized electron-polarized proton scattering will be published separately [66].

  11. Rotationally inelastic gas--surface scattering: HCl from Au(111)

    SciTech Connect

    Lykke, K.R.; Kay, B.D. )

    1990-02-15

    A quantum-resolved molecular beam--surface scattering study of HCl scattered from Au(111) is described. The HCl is detected in a quantum-resolved manner via (2+1) resonant enhanced multiphoton ionization (REMPI). Greater than 85% of the incident HCl molecules are in a single-quantum state ({ital v}=0, {ital J}=0) with a narrow velocity distribution ({Delta}{upsilon}/{upsilon}{lt}0.10). The scattered HCl is strongly peaked about the specular angle, and both its final velocity and rotational distributions are indicative of direct inelastic scattering. The scattered rotational distributions exhibit features characteristic of rotational rainbows and have a mean rotational energy that displays a bilinear dependence upon the incident normal kinetic energy and surface temperature. The final velocity distributions are largely insensitive to the rotational level and indicate that the energy loss to phonons is small ({lt}20%). Analysis of the scattered data indicates an orientation-averaged attractive well depth of {similar to}5 kcal/mol for the HCl--Au(111) interaction.

  12. Vibrational properties and phonon anharmonicity in ZnS1-xSex: Inelastic neutron scattering, Raman scattering, X-ray diffraction measurements and lattice dynamical studies

    NASA Astrophysics Data System (ADS)

    Basak, Tista; Rao, Mala N.; Chaplot, S. L.; Salke, Nilesh; Rao, Rekha; Dhanasekaran, R.; Rajarajan, A. K.; Rols, S.; Mittal, R.; Jayakrishnan, V. B.; Sastry, P. U.

    2014-01-01

    Inelastic neutron scattering, Raman and X-ray diffraction measurements coupled with lattice dynamical calculations (employing a semi-empirical transferable potential model) have been carried out to gain a detailed understanding of the peculiar vibrational spectrum exhibited by the mixed crystal ZnS1-xSex. Raman scattering measurements performed over a varying range of temperature (100-800 K) and pressure (up to 13 GPa) have confirmed that the additional mode observed in the spectra are visible over the entire range of temperature and pressure. Correlation of the individual motions of atoms (obtained from computed total and partial phonon density of states) with the inelastic neutron scattering measurements (carried out over the entire Brillouin zone) have then indicated that the existence of the additional mode in ZnS1-xSex is due to the vibrations of the Se atom being in resonance with that of the S atom. Further, it has been shown that the presence of this additional mode can be tuned by varying the mass of the atom at the Se site. In addition, an analysis of bond-length distribution with increasing Se concentration have elucidated that bond-length spread is not responsible for the presence of the additional mode. An analysis of the peak shifts of the Raman modes with temperature and pressure indicate that the anharmonicity of the vibrational modes increases with increasing compositional disorder. This is attributed to the fact that increasing Se concentration gives rise to a distribution of bond-lengths in ZnS1-xSex, which is responsible for this compositional disorder induced anharmonicity. Our computations have thus revealed that mass of the anion is responsible for the presence of additional mode while bond-length distribution gives rise to the existence of compositional disorder induced anharmonicity in ZnS1-xSex. Further, it is observed that the contribution of explicit anharmonicity to the total anharmonicity becomes dominant at higher temperatures. This

  13. Halo-independent methods for inelastic dark matter scattering

    SciTech Connect

    Bozorgnia, Nassim; Schwetz, Thomas; Herrero-Garcia, Juan; Zupan, Jure E-mail: juan.a.herrero@uv.es E-mail: jure.zupan@cern.ch

    2013-07-01

    We present halo-independent methods to analyze the results of dark matter direct detection experiments assuming inelastic scattering. We focus on the annual modulation signal reported by DAMA/LIBRA and present three different halo-independent tests. First, we compare it to the upper limit on the unmodulated rate from XENON100 using (a) the trivial requirement that the amplitude of the annual modulation has to be smaller than the bound on the unmodulated rate, and (b) a bound on the annual modulation amplitude based on an expansion in the Earth's velocity. The third test uses the special predictions of the signal shape for inelastic scattering and allows for an internal consistency check of the data without referring to any astrophysics. We conclude that a strong conflict between DAMA/LIBRA and XENON100 in the framework of spin-independent inelastic scattering can be established independently of the local properties of the dark matter halo.

  14. Inelastic x-ray scattering from phonons under multibeam conditions

    NASA Astrophysics Data System (ADS)

    Bosak, Alexey; Krisch, Michael

    2007-03-01

    We report on an experimental observation of a previously neglected multibeam contribution to the inelastic x-ray scattering cross section. Its manifestation is a substantial modification of the apparent phonon selection rules when two (or more) reciprocal lattice points are simultaneously intercepted by the Ewald sphere. The observed multibeam contributions can be treated semi-quantitatively in the frame of Renninger’s “simplest approach.” A few corollaries, relevant for experimental work on inelastic scattering from phonons, are presented.

  15. A crossed-beam study of the state-resolved dynamics of CH( X sup 2. Pi. )+D sub 2. I. The inelastic scattering channel

    SciTech Connect

    Macdonald, R.G.; Liu, K. )

    1990-08-15

    The state-to-state integral cross sections for the inelastic scattering of CH({ital X} {sup 2}{Pi}) and D{sub 2} to produce rotationally excited CH({ital X} {sup 2}{Pi}) product have been measured in a crossed-beam apparatus by the laser-induced fluorescence method. Two types of measurements were performed: (1) the translational energy dependence of an individual quantum state of the product and (2) the state distribution of the products at fixed and well-defined translational energy. For the inelastic scattering channel, the cross sections gradually increased from a dynamical threshold to a broad maximum and then slowly decreased as the translational energy increases. Evidence for multiple-impact rotational rainbows was found and a possible frequency-locking phenomenon between the two receding rotors resulted. Moderate orbital alignment was observed except for the highest rotational levels of the product. By comparing and contrasting the kinematically similar system CH({ital X} {sup 2}{Pi})+He, the influence of a strongly attractive potential energy surface on the inelastic scattering of CH+D{sub 2} was inferred. Combining the results of the inelastic scattering and the isotopic exchange channels (the following paper) provide an unprecedented look into the dynamics of collisions between CH({ital X} {sup 2}{Pi}) and D{sub 2}.

  16. Inelastic x-ray scattering studies of phonons propagating along the axial direction of a DNA molecule having different counter-ion atmosphere.

    SciTech Connect

    Liu, Y.; Berti, D.; Baglioni, P.; Chen, S. H.; Alatas, A.; Sinn, H.; Said, A.; Alp, E. E.; Experimental Facilities Division; Massachusetts Inst. of Technology; Univ. of Florence

    2005-01-01

    Shear-aligned 40 wt% calf-thymus Na-DNA molecules in aqueous solutions are prepared in their liquid crystalline phases and studied by high resolution inelastic X-ray scattering (IXS). Measured IXS spectra are analyzed with the generalized three effective eigenmode (GTEE) theory. The phonon dispersion relations along the axial direction of DNA molecules with different MgCl2 concentrations are constructed and compared. It is found that the sound speed along the axial direction of DNA molecules varies only slightly, but the phonon dampening is greatly affected with the increase amount of MgCl{sub 2} concentration. Using the GTEE theory, we are able to extract the longitudinal viscosity in the hydrodynamic limit from the Q-dependence of a fitted parameter. We make a comprehensive review of the GTEE theory and discuss detailed analyses of IXS spectra taking into account finite energy resolution of the instrument.

  17. Prospects of high-resolution resonant X-ray inelastic scattering studies on solid materials, liquids and gases at diffraction-limited storage rings

    PubMed Central

    Schmitt, Thorsten; de Groot, Frank M. F.; Rubensson, Jan-Erik

    2014-01-01

    The spectroscopic technique of resonant inelastic X-ray scattering (RIXS) will particularly profit from immensely improved brilliance of diffraction-limited storage rings (DLSRs). In RIXS one measures the intensities of excitations as a function of energy and momentum transfer. DLSRs will allow for pushing the achievable energy resolution, signal intensity and the sampled spot size to new limits. With RIXS one nowadays probes a broad range of electronic systems reaching from simple molecules to complex materials displaying phenomena like peculiar magnetism, two-dimensional electron gases, superconductivity, photovoltaic energy conversion and heterogeneous catalysis. In this article the types of improved RIXS studies that will become possible with X-ray beams from DLSRs are envisioned. PMID:25177995

  18. dd excitations in three-dimensional q-space: A nonresonant inelastic X-ray scattering study on NiO

    SciTech Connect

    Hiraoka N.; Cai Y.; Suzuki M.; Tsuei K.D.; Ishii H.; Haverkort M.W.; Lee C.C. and Ku W.

    2011-10-17

    We have studied the dd excitations in NiO over three-dimensional momentum (q) space using nonresonant inelastic X-ray scattering. In addition to the previously reported peaks at 1.7 and 3.0 eV, another peak is found at 1.0 eV, with a dramatically different intensity distribution in momentum space. Contrary to the other two peaks that form oval structures maximizing at [111] directions, the 1.0 eV peak displays appreciable intensity along low-symmetry axes near [311] and [210], but vanishes in the three principal axes [100], [110], and [111], indicating a significant difference in the exciton wave function. We find good agreement between the experimental data and two state-of-the-art theories, advocating investigating other strongly correlated materials with similar experimental/theoretical approaches.

  19. Inelastic x-ray scattering at modest energy resolution

    SciTech Connect

    Finkelstein, K.D.; Larson, B.C.

    1997-07-01

    We report results from the development of an inelastic scattering spectrometer designed to take advantage of high energy synchrotron radiation available at CHESS. The device allows a large increase of the effective scattering volume in the sample by permitting measurements to be made in an energy range up to 25 KeV. The highest useable energy appears limited by the efficiency of the analyzers under consideration. At 20 KeV a novel 4-bounce, sagittal focusing monochromator passes 10e11 photons/second with Darwin width limited energy resolution. In the scattering plane, the monochromator images the electron beam producing a small scattering source for the analyzing optics. Analyzer systems under study include a cooled mosaic crystal in para-focusing geometry, and an adjustable spherically bent silicon crystal respectively for parallel and point-by-point collection of the energy loss spectrum. This paper discusses the optical configurations presents results from our early measurements and suggests directions for improvements. {copyright} {ital 1997 American Institute of Physics.}

  20. Communication: Collective dynamics of room-temperature ionic liquids and their Li ion solutions studied by high-resolution inelastic X-ray scattering

    NASA Astrophysics Data System (ADS)

    Fujii, Kenta; Shibayama, Mitsuhiro; Yamaguchi, Tsuyoshi; Yoshida, Koji; Yamaguchi, Toshio; Seki, Shiro; Uchiyama, Hiroshi; Baron, Alfred Q. R.; Umebayashi, Yasuhiro

    2013-04-01

    High-resolution inelastic X-ray scattering (IXS) measurements were performed for room-temperature ionic liquids (ILs) of 1-ethyl-3-methylimidazolium bis(trifluoromethanesulfonyl)amide and bis(fluorosulfonyl)amide, [C2mIm+][TFSA-] and [C2mIm+][FSA-], respectively, at ambient temperature. The observed spectra as a function of Q of 1.4-6 nm-1 can be ascribed to quasi-elastic and inelastic scatterings, so that they are well represented with the fitting by using the Lorentz and the damped harmonic oscillator model functions to yield the dynamic structure factors. It was found in the intermediate scattering function, F(Q, t) that both ILs show the relaxation at t < 10 ps. The IXS measurements were also made on [C2mIm+][TFSA-] and [C2mIm+][FSA-] solutions dissolving Li salt. It is suggested that the adding of Li salt to IL significantly prolongs the relaxation time.

  1. Inelastic scattering of electrons by metastable hydrogen atoms in a laser field

    NASA Astrophysics Data System (ADS)

    Buica, Gabriela

    2015-09-01

    The inelastic scattering of fast electrons by metastable hydrogen atoms in the presence of a linearly polarized laser field is theoretically studied in the domain of field intensities below 1010 W/cm2. The interaction of the hydrogen atom with the laser field is described by first-order time-dependent perturbation theory, while the projectile electrons interacting with the laser field are described by the Gordon-Volkov wave functions. An analytic expression is obtained for the differential scattering cross section in the first-order Born approximation for laser-assisted inelastic e--H (2 s ) scattering for the 2 s →n l excitation. Detailed analytical and numerical results are presented for inelastic scattering accompanied by one-photon absorption, and the angular dependence and resonance structure of the differential cross sections are discussed for the 2 s →4 l excitation of metastable hydrogen.

  2. In-situ soil carbon analysis using inelastic neutron scattering

    Technology Transfer Automated Retrieval System (TEKTRAN)

    In situ soil carbon analysis using inelastic neutron scattering (INS) is based on the emission of 4.43 MeV gamma rays from carbon nuclei excited by fast neutrons. This in-situ method has excellent potential for easily measuring soil carbon since it does not require soil core sampling and processing ...

  3. Resonant inelastic x-ray scattering from molecules and atoms

    SciTech Connect

    Arp, U.; Deslattes, R.D.; Miyano, K.E.; Southworth, S.H.

    1995-12-31

    X-ray fluorescence spectroscopy is one of the most powerful methods for the understanding of the electronic structure of matter. We report here on fluorescence experiments in the 2 to 6 keV photon energy range using tunable synchrotron radiation and the resulting experimental programs on resonant inelastic scattering in atoms and on polarization measurements in resonant molecular excitations.

  4. Benchmarking the inelastic neutron scattering soil carbon method

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The herein described inelastic neutron scattering (INS) method of measuring soil carbon was based on a new procedure for extracting the net carbon signal (NCS) from the measured gamma spectra and determination of the average carbon weight percent (AvgCw%) in the upper soil layer (~8 cm). The NCS ext...

  5. Energy dependence of pion inelastic scattering from sup 208 Pb

    SciTech Connect

    Oakley, D.S. Lewis and Clark College, Portland, Oregon ); Peterson, R.J. ); Seestrom, S.J.; Morris, C.L.; Plum, M.A. ); Zumbro, J.D. ); Williams, A.L.; Bryan, M.A.; McDonald, J.W.; Moore, C.F. )

    1991-11-01

    Differential cross sections were measured for pion elastic and inelastic scattering from {sup 208}Pb at {ital T}{sub {pi}}=120 and 250 MeV. Energy-dependent neutron- and proton-transition matrix elements for a range of excited states were extracted and tested for consistency, using several structure models.

  6. Inelastic electron scattering on C{sub 60} clusters

    SciTech Connect

    Yabana, K.; Bertsch, G.F.

    1993-12-31

    We calculate the electronic excitation of C{sub 60} by inelastic electron scattering or electron energy loss spectroscopy (EELS). The scattering process is treated in the distorted-wave Born approximation, and the electronic excitations are calculated in a spherical basis model. We find that low energy electrons excite some non-photoactive modes, in agreement with experiment. Spin triplet modes are poorly excited, even at the lowest electron energies.

  7. Vibrational density of states of thin films measured by inelastic scattering of synchrotron radiation

    NASA Astrophysics Data System (ADS)

    Röhlsberger, R.; Sturhahn, W.; Toellner, T. S.; Quast, K. W.; Alp, E. E.; Bernhard, A.; Metge, J.; Rüffer, R.; Burkel, E.

    1999-03-01

    Vibrational spectra of thin films were measured by inelastic nuclear resonant scattering of synchrotron radiation in grazing incidence geometry. A strong enhancement of the inelastic signal was obtained by designing the layer system as X-ray waveguide and coupling the incident beam into a guided mode. This effect opens the possibility to study vibrational excitations in thin films that were so far impossible to obtain due to flux limitations.

  8. INELASTIC X-RAY SCATTERING AT ULTRAHIGH PRESSURES.

    SciTech Connect

    MAO, H.K.; HEMLEY, J.; KAO, C.C.

    2000-08-28

    Inelastic x-ray scattering (IXS) provides high-pressure research with an arsenal of analytical capabilities for key measurements that were previously unattainable, and high pressure research provides IXS with numerous applications where the technique has unique advantages over other methods. High-pressure investigations can now be conducted using non-resonant IXS, resonant IXS, nuclear resonant IXS, and x-ray emission spectroscopy with energy resolutions of 100 meV to 1 eV for electronic transitions and 1 to 10 meV for phonon studies. By pressure-tuning materials over a wide range, we are able to investigate fundamental physics of electron gases, strongly correlated electron systems, high-energy electronic excitations, and phonons in energy and momentum space. The results will have a profound influence on materials applications as well as providing basic information for understanding the deep interior of the Earth and other planets.

  9. Inelastic scattering in planetary atmospheres. I - The Ring effect, without aerosols

    NASA Technical Reports Server (NTRS)

    Kattawar, G. W.; Young, A. T.; Humphreys, T. J.

    1981-01-01

    The contribution of inelastic molecular scattering (Rayleigh-Brillouin and rotational Raman scattering) to the filling-in of Fraunhofer lines in the light of the blue sky is studied. Aerosol fluorescence is shown to be negligible, and aerosol scattering is ignored. The angular and polarization dependences of the filling-in detail for single scattering are discussed. An approximate treatment of multiple scattering, using a backward Monte Carlo technique, makes it possible to investigate the effects of the ground albedo. As the molecular scatterings alone produce more line-filling than is observed, it seems likely that aerosols dilute the effect by contributing unaltered sunlight to the observed spectra.

  10. Inclusive Deep Inelastic Scattering at HERA

    SciTech Connect

    Newman, Paul

    2011-07-15

    Recent inclusive charged and neutral current scattering data from HERA are presented. Emphasis is placed on the resulting constraints on the proton parton densities and on the influence of low x proton structure on diffraction.

  11. Study of the γ decay of high-lying states in 208Pb via inelastic scattering of 17O ions

    NASA Astrophysics Data System (ADS)

    Crespi, F. C. L.; Kmiecik, M.; Bracco, A.; Leoni, S.; Maj, A.; Benzoni, G.; Blasi, N.; Boiano, C.; Bottoni, S.; Brambilla, S.; Camera, F.; Ceruti, S.; Giaz, A.; Million, B.; Morales, A. I.; Nicolini, R.; Pellegri, L.; Riboldi, S.; Vandone, V.; Wieland, O.; Bednarczyk, P.; Ciemala, M.; Grebosz, J.; Krzysiek, M.; Mazurek, K.; Zieblinski, M.; Bazzacco, D.; Bellato, M.; Birkenbach, B.; Bortolato, D.; Calore, E.; De Angelis, G.; Farnea, E.; Gadea, A.; Görgen, A.; Gottardo, A.; Isocrate, R.; Lenzi, S.; Lunardi, S.; Mengoni, D.; Michelagnoli, C.; Molini, P.; Napoli, D. R.; Recchia, F.; Sahin, E.; Siebeck, B.; Siem, S.; Ur, C.; Valiente Dobon, J. J.

    2014-03-01

    A measurement of the high-lying states in 208Pb has been made using 17O beams at 20 MeV/u. The gamma decay following inelastic excitation was measured with the detector system AGATA Demonstrator based on segmented HPGe detectors, coupled to an array of large volume LaBr3:Ce scintillators and to an array of Si detectors. Preliminary results in comparison with (γ,γ') data, for states in the 5-8 MeV energy interval, are presented.

  12. Inelastic light scattering from a Mott insulator

    SciTech Connect

    Oosten, D. van; Dickerscheid, D.B.M.; Farid, B.; Stoof, H.T.C.; Straten, P. van der

    2005-02-01

    We propose to use Bragg spectroscopy to measure the excitation spectrum of the Mott-insulator state of an atomic Bose gas in an optical lattice. We calculate the structure factor of the Mott insulator taking into account both the self-energy corrections of the atoms and the corresponding dressing of the atom-photon interaction. We determine the scattering rate of photons in the stimulated Raman transition and show that by measuring this scattering rate in an experiment, in particular, the excitation gap of the Mott insulator can be determined.

  13. Modern Techniques for Inelastic Thermal Neutron Scattering Analysis

    NASA Astrophysics Data System (ADS)

    Hawari, A. I.

    2014-04-01

    A predictive approach based on ab initio quantum mechanics and/or classical molecular dynamics simulations has been formulated to calculate the scattering law, S(κ⇀,ω), and the thermal neutron scattering cross sections of materials. In principle, these atomistic methods make it possible to generate the inelastic thermal neutron scattering cross sections of any material and to accurately reflect the physical conditions of the medium (i.e, temperature, pressure, etc.). In addition, the generated cross sections are free from assumptions such as the incoherent approximation of scattering theory and, in the case of solids, crystalline perfection. As a result, new and improved thermal neutron scattering data libraries have been generated for a variety of materials. Among these are materials used for reactor moderators and reflectors such as reactor-grade graphite and beryllium (including the coherent inelastic scattering component), silicon carbide, cold neutron media such as solid methane, and neutron beam filters such as sapphire and bismuth. Consequently, it is anticipated that the above approach will play a major role in providing the nuclear science and engineering community with its needs of thermal neutron scattering data especially when considering new materials where experimental information may be scarce or nonexistent.

  14. The interpretation of polycrystalline coherent inelastic neutron scattering from aluminium

    PubMed Central

    Roach, Daniel L.; Ross, D. Keith; Gale, Julian D.; Taylor, Jon W.

    2013-01-01

    A new approach to the interpretation and analysis of coherent inelastic neutron scattering from polycrystals (poly-CINS) is presented. This article describes a simulation of the one-phonon coherent inelastic scattering from a lattice model of an arbitrary crystal system. The one-phonon component is characterized by sharp features, determined, for example, by boundaries of the (Q, ω) regions where one-phonon scattering is allowed. These features may be identified with the same features apparent in the measured total coherent inelastic cross section, the other components of which (multiphonon or multiple scattering) show no sharp features. The parameters of the model can then be relaxed to improve the fit between model and experiment. This method is of particular interest where no single crystals are available. To test the approach, the poly-CINS has been measured for polycrystalline aluminium using the MARI spectrometer (ISIS), because both lattice dynamical models and measured dispersion curves are available for this material. The models used include a simple Lennard-Jones model fitted to the elastic constants of this material plus a number of embedded atom method force fields. The agreement obtained suggests that the method demonstrated should be effective in developing models for other materials where single-crystal dispersion curves are not available. PMID:24282332

  15. Magnetic excitations in an exchange-coupled tetramer cluster of cobalt (II): a study by inelastic neutron scattering

    NASA Astrophysics Data System (ADS)

    Gómez-García, C. J.; Coronado, E.; Borrás-Almenar, J. J.; Aebersold, M.; Güdel, H. U.; Mutka, H.

    1992-06-01

    The polyoxometalate K 10[Co 4(H 2O) 2(PW 9O 34) 2].20H 2O contains a ferromagnetically exchange-coupled tetramer of Co 11 encapsulated in between two diamagnetic molecules (PW 9O 34-9. At 2.5K several inelastic peaks are observed in the energy range 1.5-7 meV, which are assigned to magnetic excitations in the cluster. A tentative interpretation of these data from an anisotropic exchange model yields a cobalt-cobalt interaction of 3meV (24cm -1) and an amount of anisotropy Jxy/ Jz≌0.6. These values are consistent with the magnetic susceptibility measurements.

  16. Local structure and lattice dynamics study of low dimensional materials using atomic pair distribution function and high energy resolution inelastic x-ray scattering

    NASA Astrophysics Data System (ADS)

    Shi, Chenyang

    Structure and dynamics lie at the heart of the materials science. A detailed knowledge of both subjects would be foundational in understanding the materials' properties and predicting their potential applications. However, the task becomes increasingly dicult as the particle size is reduced to the nanometer scale. For nanostructured materials their laboratory x-ray scattering patterns are overlapped and broadened, making structure determination impossible. Atomic pair distribution function technique based on either synchrotron x-ray or neutron scattering data is known as the tool of choice for probing local structures. However, to solve the "structure problem" in low-dimensional materials with PDF is still challenging. For example for 2D materials of interest in this thesis the crystallographic modeling approach often yields unphysical thermal factors along stacking direction where new chemical intuitions about their actual structures and new modeling methodology/program are needed. Beyond this, lattice dynamical investigations on nanosized particles are extremely dicult. Laboratory tools such as Raman and infra-red only probe phonons at Brillouin zone center. Although in literature there are a great number of theoretical studies of their vibrational properties based on either empirical force elds or density functional theory, various approximations made in theories make the theoretical predictions less reliable. Also, there lacks the direct experiment result to validate the theory against. In this thesis, we studied the structure and dynamics of a wide variety of technologically relevant low-dimensional materials through synchrotron based x-ray PDF and high energy resolution inelastic x-ray scattering (HERIX) techniques. By collecting PDF data and employing advanced modeling program such as DiPy-CMI, we successfully determined the atomic structures of (i) emerging Ti3C2, Nb4C3 MXenes (transition metal carbides and/or nitrides) that are promising for energy storage

  17. Conversion method of powder inelastic scattering data for one-dimensional systems

    SciTech Connect

    Tomiyasu, Dr. Keisuke; Fujita, Prof. Masaki; Kolesnikov, Alexander I; Bewley, Robert I.; Bull, Dr. Martyn J.; Bennington, Dr. Stephen M.

    2009-01-01

    Extracting dispersive magnetic excitations from inelastic neutron scattering data usually requires large single crystals. We present a simple yet powerful method for extracting such information from polycrystalline or powder data for one-dimensional systems. We demonstrate the effectiveness of this data treatment by extracting dispersion curves from powder inelastic neutron scattering data on the one-dimensional spin-half systems: CuGeO3 and Rb2Cu2Mo3O12. For many such materials it is not possible to grow sufficiently large crystals and this method offers a quick and efficient way to study their magnetic excitations.

  18. Intermultiplet transitions in optically opaque EuBa{sub 2}Cu{sub 3}O{sub 7}: An inelastic neutron scattering study

    SciTech Connect

    Staub, U.; Soderholm, L.; Osborn, R.; Guillaume, M.; Furrer, A.; Trounov, V.

    1994-06-01

    We report the results of inelastic neutron scattering (INS) studies of the J=0 to J=1 magnetic transitions in EuBa{sub 2}Cu{sub 3}O{sub 7}. The low J values of these multiplets restrict our crystal field analysis to the second order crystalline electric field (CEF) parameters B{sub o}{sup 2} and B{sub 2}{sup 2} obtained by fitting the splitting of the J=l multiplet, and the spin-orbit coupling parameter, which is used to fit the energy of the J=0 to J=l multiplet splitting. We compare our results to those derived from other INS studies on different rare earths, as well as with B{sub o}{sup 2} and B{sub 2}{sup 2} derived from Moessbauer studies. The J=O to J=l splitting observed here is smaller than previously seen by optical spectroscopic studies on a variety of transparent, ionic compounds, necessitating the inclusion of a free-ion parameter in the fitting procedure. This work represents the first time that a complete excited multiplet has been seen for R in RBa{sub 2}CU{sub 3}O{sub 7}. These results are particularly germane to crystal field analyses of the light rare earth ions in optically opaque materials, where assumptions about free-ion parameters are essential for a meaningful analysis.

  19. Deep inelastic scattering at energies near the Coulomb barrier

    SciTech Connect

    Gehring, J.; Rehm, K.E.; Schiffer, J.P.

    1993-10-01

    A large yield for a process that appears to have many of the features of deep inelastic scattering has been observed at energies, near the Coulomb barrier in the systems {sup 112,124}Sn + {sup 58}Ni by Wolfs et al. In order to better understand the mechanisms by which energy dissipation takes place close to the barrier, we have extended the measurements of Wolfs to the system {sup 136}Xe + {sup 64}Ni. The use of inverse kinematics in the present measurements resulted in better mass and energy resolution due to reduced target effects and in more complete angular coverage. We have obtained angular distributions, mass distributions, and total cross sections for deep inelastic scattering at two energies near the barrier. The results on the closed neutron shell nucleus {sup 136}Xe complement those from the closed proton shell Sn nuclei.

  20. Probing and modeling of pressure-induced coordination transformation in borate glasses: Inelastic x-ray scattering study at high pressure

    NASA Astrophysics Data System (ADS)

    Lee, Sung Keun; Eng, Peter J.; Mao, Ho-Kwang; Shu, Jinfu

    2008-12-01

    Here, we report on the in situ synchrotron inelastic x-ray scattering spectra of Na-borate glasses at high pressure up to 25 GPa. The pressure-induced boron coordination transformation from B[3] to B[4] is linear with pressure characterized by a single value of (∂B[3]/∂P)T . Previous studies of Li-borate and pure-borate glasses show a nonlinear transformation with multiple (∂B[3]/∂P)T values for different pressure ranges, revealing the important role cation field strength plays in densification and pressure-induced structural changes. Considering the distribution of the energy difference between low- and high-pressure states (Δɛ) in the energy landscape and the variance of the ratio Δɛ to its pressure gradient (∂Δɛ/∂P)T as a measure of network flexibility with pressure, an amorphous system with a large variance in Δɛ at 1 atm and/or a small (∂Δɛ/∂P)T may undergo a gradual coordination transformation (e.g., Na borates). In contrast, a system with the opposite behavior (e.g., Li borates) undergoes an abrupt coordination transformation. The results and concepts of this study thus can shed light on opportunities to study the effect of composition on the nature of densification in low- z oxide and other archetypal glasses and melts.

  1. Hadron mass corrections in semi-inclusive deep inelastic scattering

    SciTech Connect

    A. Accardi, T. Hobbs, W. Melnitchouk

    2009-11-01

    We derive mass corrections for semi-inclusive deep inelastic scattering of leptons from nucleons using a collinear factorization framework which incorporates the initial state mass of the target nucleon and the final state mass of the produced hadron $h$. The hadron mass correction is made by introducing a generalized, finite-$Q^2$ scaling variable $\\zeta_h$ for the hadron fragmentation function, which approaches the usual energy fraction $z_h = E_h/\

  2. State-to-state inelastic and reactive molecular beam scattering from surfaces

    SciTech Connect

    Lykke, K.R. ); Kay, B.D. )

    1990-01-01

    Resonantly enhanced multiphoton ionization (REMPI) laser spectroscopic and molecular beam-surface scattering techniques are coupled to study inelastic and reactive gas-surface scattering with state-to-state specificity. Rotational, vibrational, translational and angular distributions have been measured for the inelastic scattering of HCI and N {sub 2} from Au(111). In both cases the scattering is direct-inelastic in nature and exhibits interesting dynamical features such as rotational rainbow scattering. In an effort to elucidate the dynamics of chemical reactions occurring on surfaces we have extended our quantum-resolved scattering studies to include the reactive scattering of a beam of gas phase H-atoms from a chlorinated metal surface M-CI. The nascent rotational and vibrational distributions of the HCI product are determined using REMPI. The thermochemistry for this reaction on Au indicates that the product formation proceeding through chemisorbed H-atoms is slightly endothermic while direct reaction of a has phase H-atom with M-CI is highly exothermic (ca. 50 kcal/mole). Details of the experimental techniques, results and implications regarding the scattering dynamics are discussed. 55 ref., 8 fig.

  3. The very short hydrogen bond in the pyridine N-oxide - trichloroacetic Acid complex: an inelastic neutron scattering and computational study.

    PubMed

    Stare, Jernej; Hartl, Monika; Daemen, Luke; Eckert, Juergen

    2011-09-01

    We have investigated the dynamics of the very short hydrogen bond (RO...O = 2.430 Å) of the pyridine N-oxide trichloroacetic acid complex in the solid state by combining vibrational spectroscopy using inelastic neutron scattering with extensive computational studies and analysis of the vibrational spectra. The Density Functional Theory (DFT) computational models used ranged from the isolated gas phase cluster to three approaches with periodic boundary conditions, namely CRYSTAL, CPMD and VASP, all of which, however calculate frequencies in the harmonic approximation. While all but the gas phase calculation yield structural parameters for the hydrogen bond in reasonable agreement with experiment, only the periodic VASP and CPMD approaches resulted in INS spectra (calculated with the program a-climax) that adequately reproduced some of the key features of the experimental spectrum related to the in-plane and out-of-plane bending modes of the H-bond. No clear indication was found either in experiment or computational studies for OH stretching. More sophisticated and time-consuming calculations are therefore indicated to elaborate on the hydrogen bond dynamics including molecular dynamics simulations or the use of quantum dynamics on multidimensional potential energy surfaces. PMID:24062112

  4. Studies of a Large Odd‐Numbered Odd‐Electron Metal Ring: Inelastic Neutron Scattering and Muon Spin Relaxation Spectroscopy of Cr8Mn

    PubMed Central

    Lancaster, Tom; Chiesa, Alessandro; Amoretti, Giuseppe; Baker, Peter J.; Barker, Claire; Carretta, Stefano; Collison, David; Güdel, Hans U.; Guidi, Tatiana; McInnes, Eric J. L.; Möller, Johannes S.; Mutka, Hannu; Ollivier, Jacques; Pratt, Francis L.; Santini, Paolo; Tuna, Floriana; Tregenna‐Piggott, Philip L. W.; Vitorica‐Yrezabal, Iñigo J.; Timco, Grigore A.

    2016-01-01

    Abstract The spin dynamics of Cr8Mn, a nine‐membered antiferromagnetic (AF) molecular nanomagnet, are investigated. Cr8Mn is a rare example of a large odd‐membered AF ring, and has an odd‐number of 3d‐electrons present. Odd‐membered AF rings are unusual and of interest due to the presence of competing exchange interactions that result in frustrated‐spin ground states. The chemical synthesis and structures of two Cr8Mn variants that differ only in their crystal packing are reported. Evidence of spin frustration is investigated by inelastic neutron scattering (INS) and muon spin relaxation spectroscopy (μSR). From INS studies we accurately determine an appropriate microscopic spin Hamiltonian and we show that μSR is sensitive to the ground‐spin‐state crossing from S=1/2 to S=3/2 in Cr8Mn. The estimated width of the muon asymmetry resonance is consistent with the presence of an avoided crossing. The investigation of the internal spin structure of the ground state, through the analysis of spin‐pair correlations and scalar‐spin chirality, shows a non‐collinear spin structure that fluctuates between non‐planar states of opposite chiralities. PMID:26748964

  5. Studies of a Large Odd-Numbered Odd-Electron Metal Ring: Inelastic Neutron Scattering and Muon Spin Relaxation Spectroscopy of Cr8 Mn.

    PubMed

    Baker, Michael L; Lancaster, Tom; Chiesa, Alessandro; Amoretti, Giuseppe; Baker, Peter J; Barker, Claire; Blundell, Stephen J; Carretta, Stefano; Collison, David; Güdel, Hans U; Guidi, Tatiana; McInnes, Eric J L; Möller, Johannes S; Mutka, Hannu; Ollivier, Jacques; Pratt, Francis L; Santini, Paolo; Tuna, Floriana; Tregenna-Piggott, Philip L W; Vitorica-Yrezabal, Iñigo J; Timco, Grigore A; Winpenny, Richard E P

    2016-01-26

    The spin dynamics of Cr8 Mn, a nine-membered antiferromagnetic (AF) molecular nanomagnet, are investigated. Cr8 Mn is a rare example of a large odd-membered AF ring, and has an odd-number of 3d-electrons present. Odd-membered AF rings are unusual and of interest due to the presence of competing exchange interactions that result in frustrated-spin ground states. The chemical synthesis and structures of two Cr8 Mn variants that differ only in their crystal packing are reported. Evidence of spin frustration is investigated by inelastic neutron scattering (INS) and muon spin relaxation spectroscopy (μSR). From INS studies we accurately determine an appropriate microscopic spin Hamiltonian and we show that μSR is sensitive to the ground-spin-state crossing from S=1/2 to S=3/2 in Cr8 Mn. The estimated width of the muon asymmetry resonance is consistent with the presence of an avoided crossing. The investigation of the internal spin structure of the ground state, through the analysis of spin-pair correlations and scalar-spin chirality, shows a non-collinear spin structure that fluctuates between non-planar states of opposite chiralities. PMID:26748964

  6. Lattice dynamical properties of superconducting SrPt3P studied via inelastic x-ray scattering and density functional perturbation theory

    NASA Astrophysics Data System (ADS)

    Zocco, D. A.; Krannich, S.; Heid, R.; Bohnen, K.-P.; Wolf, T.; Forrest, T.; Bosak, A.; Weber, F.

    2015-12-01

    We present a study of the lattice dynamical properties of superconducting SrPt3P (Tc=8.4 K) via high-resolution inelastic x-ray scattering (IXS) and ab initio calculations. Density functional perturbation theory including spin-orbit coupling results in enhanced electron-phonon coupling (EPC) for the optic phonon modes originating from the Pt(I) atoms, with energies ˜5 meV, resulting in a large EPC constant λ ˜2 . An overall softening of the IXS powder spectra occurs from room to low temperatures, consistent with the predicted strong EPC and with recent specific-heat experiments (2 Δ0/kBTc˜5 ). The low-lying phonon modes observed in the experiments are approximately 1.5 meV harder than the corresponding calculated phonon branch. Moreover, we do not find any changes in the spectra upon entering the superconducting phase. We conclude that current theoretical calculations underestimate the energy of the lowest band of phonon modes indicating that the coupling of these modes to the electronic subsystem is overestimated.

  7. Evidence of Spin Resonance Signal in Oxygen Free Superconducting CaFe0.88Co0.12AsF: An Inelastic Neutron Scattering Study

    NASA Astrophysics Data System (ADS)

    Price, Stephen; Su, Yixi; Xiao, Yinguo; Adroja, Devashibhai T.; Guidi, Tatiana; Mittal, Ranjan; Nandi, Shibabrata; Matsuishi, Satoru; Hosono, Hideo; Brückel, Thomas

    2013-10-01

    The spin excitation spectrum of optimally doped superconducting CaFe0.88Co0.12AsF (Tc˜ 22 K) was studied by means of time-of-flight (ToF) inelastic neutron scattering experiments on a powder sample for temperatures above and below Tc and energies up to 15 meV. In the superconducting state, the spin resonance signal is observed as an enhancement of spectral weight of particle hole excitations of approximately 1.5 times relative to normal state excitations. The resonance energy ER˜ 7 meV scales to Tc via 3.7 kBTc which is in reasonable agreement to the scaling relation reported for other Fe-based compositions. For energies below 5 meV the spectrum of spin flip particle hole excitations in the superconducting state exhibits a strong reduction in spectral weight, indicating the opening of the spin gap. Nonetheless, a complete suppression of magnetic response cannot be observed. In contrast, the normal state spin excitations are not gapped and strongly two dimensional spin fluctuations persist up to temperatures at least as high as 150 K.

  8. Theoretical Study of L-Edge Resonant Inelastic X-ray Scattering in La2CuO4 on the Basis of Detailed Electronic Band Structure

    NASA Astrophysics Data System (ADS)

    Nomura, Takuji

    2015-09-01

    We study theoretically resonant inelastic x-ray scattering (RIXS) at the Cu L3-edge in a typical parent compound of high-Tc cuprate superconductors La2CuO4 on the basis of a detailed electronic band structure. We construct a realistic and precise tight-binding model by employing the maximally-localized Wannier functions derived from a first-principles electronic structure calculation, and then take account of the Coulomb repulsion between d electrons at each Cu site. The antiferromagnetic ground state is described within the Hartree-Fock approximation, and take account of electron correlations in the intermediate states of RIXS within the random-phase approximation (RPA). Calculated RIXS spectra agree well with the experimentally observed features including low-energy magnon excitation, d-d excitations, and charge-transfer excitations, over a wide excitation-energy range. In particular, we stress the importance of photon polarization dependence: the intensity of magnon excitation and the spectral structure of d-d excitations depend significantly not only on the polarization direction of incident incoming photons but also that of outgoing photons. It is demonstrated that the single-magnon excitation intensity is maximized when the polarization directions of incoming and outgoing photons are perpendicular to each other.

  9. Coherent inelastic Mössbauer scattering of synchrotron radiation (abstract)

    NASA Astrophysics Data System (ADS)

    Belyakov, V. A.

    2002-03-01

    Recent success of coherent elastic [Nuclear Resonant Scattering of Synchrotron Radiation, Part A edited by E. Gerdau and H. de Woard (Baltzer Science, 2000), Hyperfine Interact. 123/124, Chap. 4] and incoherent inelastic (Hyperfine Interact. 123/124, Chap. 5) Mössbauer scattering of synchrotron radiation (SR) in investigations of very delicate properties of the condensed matter also makes it urgent to perform experiments on coherent inelastic Mössbauer scattering (CIMS) of synchrotron radiation (the common meaning of the term CIMS is coherent inelastic Mössbauer scattering accompanied by creation or annihilation of phonons in the crystal lattice, i.e., by very low energy losses of SR quanta). However up to now there were no publications on experimental observation of CIMS so there is a need in theoretical investigations to reveal the most favorable conditions for CIMS observation. The theory of CIMS is presented below and applied to specific processes of CIMS such as forward scattering, scattering at grazing incidence angles, and scattering via a cascade of Mössbauer transitions. It is shown that the phase matching (between the incident and scattered beam) is very important for the angular and frequency distribution in CIMS and processes where phase matching can be reached, which the best candidates for CIMS experimental investigations. The performed analysis shows that because of the phase matching demands the forward CIMS is suppressed significantly in comparison with the coherent elastic Mössbauer scattering [V. A. Belyakov, JETP Lett. 67, 8 (1998)] and more favorable for observation is CIMS at a nonzero scattering angle. Some examples of CIMS specific geometries are discussed. In particular, it is shown that for the grazing CIMS at isotope interface (a plane interface between regions with different abundance of the Mössbauer isotope) there is enhancement of CIMS at the critical angle of total reflection and suppression of CIMS at angles below the critical

  10. Longitudinal Polarization of {lambda} and {lambda}-bar Hyperons in Deep-Inelastic Scattering at COMPASS

    SciTech Connect

    Sapozhnikov, M. G.

    2007-06-13

    The longitudinal polarization of {lambda} and {lambda}-bar hyperons produced in deep-inelastic scattering of 160 GeV/c polarized positive muons is studied in the COMPASS (CERN NA58) experiment. Preliminary results on the longitudinal polarization of {lambda} and {lambda}-bar from data collected during the 2003 run are presented.

  11. Multiplicity moments in deep inelastic scattering at HERA

    NASA Astrophysics Data System (ADS)

    ZEUS Collaboration; Chekanov, S.; Derrick, M.; Krakauer, D.; Magill, S.; Musgrave, B.; Pellegrino, A.; Repond, J.; Stanek, R.; Yoshida, R.; Mattingly, M. C. K.; Antonioli, P.; Bari, G.; Basile, M.; Bellagamba, L.; Boscherini, D.; Bruni, A.; Bruni, G.; Cara Romeo, G.; Cifarelli, L.; Cindolo, F.; Contin, A.; Corradi, M.; De Pasquale, S.; Giusti, P.; Iacobucci, G.; Levi, G.; Margotti, A.; Massam, T.; Nania, R.; Palmonari, F.; Pesci, A.; Sartorelli, G.; Zichichi, A.; Aghuzumtsyan, G.; Brock, I.; Goers, S.; Hartmann, H.; Hilger, E.; Irrgang, P.; Jakob, H.-P.; Kappes, A.; Katz, U. F.; Kerger, R.; Kind, O.; Paul, E.; Rautenberg, J.; Schnurbusch, H.; Stifutkin, A.; Tandler, J.; Voss, K. C.; Weber, A.; Wieber, H.; Bailey, D. S.; Brook, N. H.; Cole, J. E.; Foster, B.; Heath, G. P.; Heath, H. F.; Robins, S.; Rodrigues, E.; Scott, J.; Tapper, R. J.; Wing, M.; Capua, M.; Mastroberardino, A.; Schioppa, M.; Susinno, G.; Jeoung, H. Y.; Kim, J. Y.; Lee, J. H.; Lim, I. T.; Ma, K. J.; Pac, M. Y.; Caldwell, A.; Helbich, M.; Liu, W.; Liu, X.; Mellado, B.; Paganis, S.; Sampson, S.; Schmidke, W. B.; Sciulli, F.; Chwastowski, J.; Eskreys, A.; Figiel, J.; Klimek, K.; Olkiewicz, K.; Przybycień, M. B.; Stopa, P.; Zawiejski, L.; Bednarek, B.; Jeleń, K.; Kisielewska, D.; Kowal, A. M.; Kowal, M.; Kowalski, T.; Mindur, B.; Przybycień, M.; Rulikowska-Zarȩbska, E.; Suszycki, L.; Szuba, D.; Kotański, A.; Bauerdick, L. A. T.; Behrens, U.; Borras, K.; Chiochia, V.; Crittenden, J.; Dannheim, D.; Desler, K.; Drews, G.; Fox-Murphy, A.; Fricke, U.; Geiser, A.; Goebel, F.; Göttlicher, P.; Graciani, R.; Haas, T.; Hain, W.; Hartner, G. F.; Hebbel, K.; Hillert, S.; Koch, W.; Kötz, U.; Kowalski, H.; Labes, H.; Löhr, B.; Mankel, R.; Martens, J.; Martínez, M.; Milite, M.; Moritz, M.; Notz, D.; Petrucci, M. C.; Polini, A.; Savin, A. A.; Schneekloth, U.; Selonke, F.; Stonjek, S.; Wolf, G.; Wollmer, U.; Whitmore, J. J.; Wichmann, R.; Youngman, C.; Zeuner, W.; Coldewey, C.; Lopez-Duran Viani, A.; Meyer, A.; Schlenstedt, S.; Barbagli, G.; Gallo, E.; Pelfer, P. G.; Bamberger, A.; Benen, A.; Coppola, N.; Markun, P.; Raach, H.; Wölfle, S.; Bell, M.; Bussey, P. J.; Doyle, A. T.; Glasman, C.; Lee, S. W.; Lupi, A.; McCance, G. J.; Saxon, D. H.; Skillicorn, I. O.; Bodmann, B.; Gendner, N.; Holm, U.; Salehi, H.; Wick, K.; Yildirim, A.; Ziegler, A.; Carli, T.; Garfagnini, A.; Gialas, I.; Lohrmann, E.; Foudas, C.; Gonçalo, R.; Long, K. R.; Metlica, F.; Miller, D. B.; Tapper, A. D.; Walker, R.; Cloth, P.; Filges, D.; Ishii, T.; Kuze, M.; Nagano, K.; Tokushuku, K.; Yamada, S.; Yamazaki, Y.; Barakbaev, A. N.; Boos, E. G.; Pokrovskiy, N. S.; Zhautykov, B. O.; Ahn, S. H.; Lee, S. B.; Park, S. K.; Lim, H.; Son, D.; Barreiro, F.; García, G.; González, O.; Labarga, L.; del Peso, J.; Redondo, I.; Terrón, J.; Vázquez, M.; Barbi, M.; Corriveau, F.; Padhi, S.; Stairs, D. G.; Tsurugai, T.; Antonov, A.; Bashkirov, V.; Danilov, P.; Dolgoshein, B. A.; Gladkov, D.; Sosnovtsev, V.; Suchkov, S.; Dementiev, R. K.; Ermolov, P. F.; Golubkov, Y. A.; Katkov, I. I.; Khein, L. A.; Korotkova, N. A.; Korzhavina, I. A.; Kuzmin, V. A.; Levchenko, B. B.; Lukina, O. Y.; Proskuryakov, A. S.; Shcheglova, L. M.; Solomin, A. N.; Vlasov, N. N.; Zotkin, S. A.; Bokel, C.; Botje, M.; Engelen, J.; Grijpink, S.; Koffeman, E.; Kooijman, P.; Schagen, S.; van Sighem, A.; Tassi, E.; Tiecke, H.; Tuning, N.; Velthuis, J. J.; Vossebeld, J.; Wiggers, L.; de Wolf, E.; Brümmer, N.; Bylsma, B.; Durkin, L. S.; Gilmore, J.; Ginsburg, C. M.; Kim, C. L.; Ling, T. Y.; Boogert, S.; Cooper-Sarkar, A. M.; Devenish, R. C. E.; Ferrando, J.; Große-Knetter, J.; Matsushita, T.; Rigby, M.; Ruske, O.; Sutton, M. R.; Walczak, R.; Bertolin, A.; Brugnera, R.; Carlin, R.; Dal Corso, F.; Dusini, S.; Limentani, S.; Longhin, A.; Parenti, A.; Posocco, M.; Stanco, L.; Turcato, M.; Adamczyk, L.; Iannotti, L.; Oh, B. Y.; Saull, P. R. B.; Toothacker, W. S.; Iga, Y.; D'Agostini, G.; Marini, G.; Nigro, A.; Cormack, C.; Hart, J. C.; McCubbin, N. A.; Epperson, D.; Heusch, C.; Sadrozinski, H. F.-W.; Seiden, A.; Williams, D. C.; Park, I. H.; Pavel, N.; Abramowicz, H.; Dagan, S.; Gabareen, A.; Kananov, S.; Kreisel, A.; Levy, A.; Abe, T.; Fusayasu, T.; Kohno, T.; Umemori, K.; Yamashita, T.; Hamatsu, R.; Hirose, T.; Inuzuka, M.; Kitamura, S.; Matsuzawa, K.; Nishimura, T.; Arneodo, M.; Cartiglia, N.; Cirio, R.; Costa, M.; Ferrero, M. I.; Maselli, S.; Monaco, V.; Peroni, C.; Ruspa, M.; Sacchi, R.; Solano, A.; Staiano, A.; Bailey, D. C.; Fagerstroem, C.-P.; Galea, R.; Koop, T.; Levman, G. M.; Martin, J. F.; Mirea, A.; Sabetfakhri, A.; Butterworth, J. M.; Gwenlan, C.; Hayes, M. E.; Heaphy, E. A.; Jones, T. W.; Lane, J. B.; West, B. J.; Ciborowski, J.; Ciesielski, R.; Grzelak, G.; Nowak, R. J.; Pawlak, J. M.; Plucinski, P.; Smalska, B.; Tymieniecka, T.; Ukleja, J.; Zakrzewski, J. A.; Z˙arnecki, A. F.; Adamus, M.; Sztuk, J.; Deppe, O.; Eisenberg, Y.; Gladilin, L. K.; Hochman, D.; Karshon, U.; Breitweg, J.; Chapin, D.; Cross, R.; Kçira, D.; Lammers, S.; Reeder, D. D.; Smith, W. H.; Deshpande, A.; Dhawan, S.; Hughes, V. W.; Straub, P. B.; Bhadra, S.; Catterall, C. D.; Frisken, W. R.; Hall-Wilton, R.; Khakzad, M.; Menary, S.

    2001-06-01

    Multiplicity moments of charged particles in deep inelastic e+p scattering have been measured with the ZEUS detector at HERA using an integrated luminosity of 38.4 pb-1. The moments for Q2>1000 GeV2 were studied in the current region of the Breit frame. The evolution of the moments was investigated as a function of restricted regions in polar angle and, for the first time, both in the transverse momentum and in absolute momentum of final-state particles. Analytic perturbative QCD predictions in conjunction with the hypothesis of Local Parton-Hadron Duality (LPHD) reproduce the trends of the moments in polar-angle regions, although some discrepancies are observed. For the moments restricted either in transverse or absolute momentum, the analytic results combined with the LPHD hypothesis show considerable deviations from the measurements. The study indicates a large influence of the hadronisation stage on the multiplicity distributions in the restricted phase-space regions studied here, which is inconsistent with the expectations of the LPHD hypothesis.

  12. Full-dimensional close-coupling study of rovibrationally inelastic scattering of SiO- H2

    NASA Astrophysics Data System (ADS)

    Yang, B.; Wang, X.; Zhang, P.; Stancil, P. C.; Bowman, J. M.; Balakrishnan, N.; Forrey, R. C.

    2016-05-01

    Molecular collisional excitation rate coecients are required to interpret spectra of molecular gas not in local thermodynamic equilibrium. Silicon monoxide (SiO) has been detected in a variety of astronomical sources and is of astrophysical importance. Its rovibrational level populations are perturbed by collisions with He, H and H2. The corresponding collisional rate coefficients and their temperature dependence are largely unknown. Theoretical scattering calculations are the primary source of such rate coefficients. In this work a full-dimensional (6D) potential energy surface (PES) of SiO- H2 was calculated using the high-level CCSD(T)-F12B method and fitted using an invariant polynomial approach in 6D. We performed the first full dimensional quantum close-coupling scattering calculations for SiO in collision with H2 on the 6D PES. Pure state-to-state rotational excitation transitions from SiO(v1 = 0 , j1 = 0-10) are computed. For rovibrational transitions, state-to-state and total quenching cross sections and corresponding rate coefficients from several low-lying rotational levels in the first excited vibrational level of SiO are calculated for both para- H2 and ortho- H2 collisions. Work at UGA and Emory are supported by NASA Grant No. NNX12AF42G, at UNLV by NSF Grant No. PHY-1505557, and at Penn State by NSF Grant No. PHY-1503615.

  13. Inelastic pion scattering by /sup 13/C at low energies

    SciTech Connect

    Mitchell, J.H.

    1987-03-01

    Angular distributions for inelastically scattered pions were obtained for several states in /sup 13/C at an incident energy of 65 MeV. The data include results from both ..pi../sup +/ and ..pi../sup -/ measurements. In addition, ..pi../sup -/ measurements were made at T/sub ..pi../ = 50 MeV at one angle to give a two point fixed-q excitation function. The data are compared to theory and the data of others. As might be expected, medium corrections are shown to be considerably more important at low energies than at resonance. This is true for inelastic transitions of multipolarity 0,2 and 3. Parameters derived from an analysis of elastic pion scattering and SCX data also provide an adequate description of the inelastic transitions. The charge asymmetry in the cross sections for the 9/2/sup +/ state that was seen at resonance persists at these energies. This result is consistent with an impulse approximation treatment of the spin-flip amplitude. This is true even though the incoming energy of the pions is far below the range where the validity of an impulse treatment is expected. 65 refs., 45 figs.

  14. Electronic Structure in Thin Film Organic Semiconductors Studied using Soft X-ray Emission and Resonant Inelastic X-ray Scattering

    SciTech Connect

    Zhang,Y.; Downes, J.; Wang, S.; Learmonth, T.; Plucinski, L.; Matsuura, A.; McGuinness, C.; Glans, P.; Bernardis, S.; et al.

    2006-01-01

    The electronic structure of thin films of the organic semiconductors copper and vanadyl (VO) phthalocyanine (Pc) has been measured using resonant soft X-ray emission spectroscopy and resonant inelastic X-ray scattering. For Cu-Pc we report the observation of two discrete states near E{sub F}. This differs from published photoemission results, but is in excellent agreement with density functional calculations. For VO-Pc, the vanadyl species is shown to be highly localized. Both dipole forbidden V 3d to V 3d*, and O 2p to V 3d* charge transfer transitions are observed, and explained in a local molecular orbital model.

  15. D* production in deep inelastic scattering at HERA

    NASA Astrophysics Data System (ADS)

    Breitweg, J.; Derrick, M.; Krakauer, D.; Magill, S.; Mikunas, D.; Musgrave, B.; Repond, J.; Stanek, R.; Talaga, R. L.; Yoshida, R.; Zhang, H.; Mattingly, M. C. K.; Anselmo, F.; Antonioli, P.; Bari, G.; Basile, M.; Bellagamba, L.; Boscherini, D.; Bruni, A.; Bruni, G.; Romeo, G. Cara; Castellini, G.; Cifarelli, L.; Cindolo, F.; Contin, A.; Corradi, M.; de Pasquale, S.; Gialas, I.; Giusti, P.; Iacobucci, G.; Laurenti, G.; Levi, G.; Margotti, A.; Massam, T.; Nania, R.; Palmonari, F.; Pesci, A.; Polini, A.; Sartorelli, G.; Garcia, Y. Zamora; Zichichi, A.; Amelung, C.; Bornheim, A.; Brock, I.; Coböken, K.; Crittenden, J.; Deffner, R.; Eckert, M.; Feld, L.; Grothe, M.; Hartmann, H.; Heinloth, K.; Heinz, L.; Hilger, E.; Jakob, H.-P.; Katz, U. F.; Paul, E.; Pfeiffer, M.; Rembser, Ch.; Stamm, J.; Wedemeyer, R.; Bailey, D. S.; Campbell-Robson, S.; Cottingham, W. N.; Foster, B.; Hall-Wilton, R.; Hayes, M. E.; Heath, G. P.; Heath, H. F.; Piccioni, D.; Roff, D. G.; Tapper, R. J.; Arneodo, M.; Ayad, R.; Capua, M.; Garfagnini, A.; Iannotti, L.; Schioppa, M.; Susinno, G.; Kim, J. Y.; Lee, J. H.; Lim, I. T.; Pac, M. Y.; Caldwell, A.; Cartiglia, N.; Jing, Z.; Liu, W.; Parsons, J. A.; Ritz, S.; Sampson, S.; Sciulli, F.; Straub, P. B.; Zhu, Q.; Borzemski, P.; Chwastowski, J.; Eskreys, A.; Jakubowski, Z.; Przybycień, M. B.; Zachara, M.; Zawiejski, L.; Adamczyk, L.; Bednarek, B.; Jeleń, K.; Kisielewska, D.; Kowalski, T.; Przybycień, M.; Rulikowska-Zarȩbska, E.; Suszycki, L.; Zajac, J.; Duliński, Z.; Kotański, A.; Abbiendi, G.; Bauerdick, L. A. T.; Behrens, U.; Beier, H.; Bienlein, J. K.; Cases, G.; Deppe, O.; Desler, K.; Drews, G.; Fricke, U.; Gilkinson, D. J.; Glasman, C.; Göttlicher, P.; Große-Knetter, J.; Haas, T.; Hain, W.; Hasell, D.; Johnson, K. F.; Kasemann, M.; Koch, W.; Kötz, U.; Kowalski, H.; Labs, J.; Lindemann, L.; Löhr, B.; Löwe, M.; Mańczak, O.; Milewski, J.; Monteiro, T.; Ng, J. S. T.; Notz, D.; Ohrenberg, K.; Park, I. H.; Pellegrino, A.; Pelucchi, F.; Piotrzkowski, K.; Roco, M.; Rohde, M.; Roldán, J.; Ryan, J. J.; Savin, A. A.; Schneekloth, U.; Selonke, F.; Surrow, B.; Tassi, E.; Voß, T.; Westphal, D.; Wolf, G.; Wollmer, U.; Youngman, C.; Żarnecki, A. F.; Zeuner, W.; Burow, B. D.; Grabosch, H. J.; Meyer, A.; Schlenstedt, S.; Barbagli, G.; Gallo, E.; Pelfer, P.; Maccarrone, G.; Votano, L.; Bamberger, A.; Eisenhardt, S.; Markun, P.; Trefzger, T.; Wölfle, S.; Bromley, J. T.; Brook, N. H.; Bussey, P. J.; Doyle, A. T.; Saxon, D. H.; Sinclair, L. E.; Strickland, E.; Utley, M. L.; Waugh, R.; Wilson, A. S.; Bohnet, I.; Gendner, N.; Holm, U.; Meyer-Larsen, A.; Salehi, H.; Wick, K.; Gladilin, L. K.; Horstmann, D.; Kçira, D.; Klanner, R.; Lohrmann, E.; Poelz, G.; Schott, W.; Zetsche, F.; Bacon, T. C.; Butterworth, I.; Cole, J. E.; Harris, V. L.; Howell, G.; Hung, B. H. Y.; Lamberti, L.; Long, K. R.; Miller, D. B.; Pavel, N.; Prinias, A.; Sedgbeer, J. K.; Sideris, D.; Whitfield, A. F.; Mallik, U.; Wang, S. M.; Wu, J. T.; Cloth, P.; Filges, D.; Fleck, J. I.; Ishii, T.; Kuze, M.; Nakao, M.; Tokushuku, K.; Yamada, S.; Yamazaki, Y.; An, S. H.; Lee, S. B.; Nam, S. W.; Park, H. S.; Park, S. K.; Barreiro, F.; Fernández, J. P.; García, G.; Graciani, R.; Hernández, J. M.; Hervás, L.; Labarga, L.; Martínez, M.; del Peso, J.; Puga, J.; Terrón, J.; de Trocóniz, J. F.; Corriveau, F.; Hanna, D. S.; Hartmann, J.; Hung, L. W.; Lim, J. N.; Murray, W. N.; Ochs, A.; Riveline, M.; Stairs, D. G.; St-Laurent, M.; Ullmann, R.; Tsurugai, T.; Bashkirov, V.; Dolgoshein, B. A.; Stifutkin, A.; Bashindzhagyan, G. L.; Ermolov, P. F.; Golubkov, Yu. A.; Khein, L. A.; Korotkova, N. A.; Korzhavina, I. A.; Kuzmin, V. A.; Lukina, O. Yu.; Proskuryakov, A. S.; Shcheglova, L. M.; Shumilin, A. V.; Solomin, A. N.; Zotkin, S. A.; Bokel, C.; Botje, M.; Brümmer, N.; Chlebana, F.; Engelen, J.; Kooijman, P.; Kruse, A.; van Sighem, A.; Tiecke, H.; Verkerke, W.; Vossebeld, J.; Vreeswijk, M.; Wiggers, L.; de Wolf, E.; Acosta, D.; Bylsma, B.; Durkin, L. S.; Gilmore, J.; Ginsburg, C. M.; Kim, C. L.; Ling, T. Y.; Nylander, P.; Romanowski, T. A.; Blaikley, H. E.; Cashmore, R. J.; Cooper-Sarkar, A. M.; Devenish, R. C. E.; Edmonds, J. K.; Harnew, N.; Lancaster, M.; McFall, J. D.; Nath, C.; Noyes, V. A.; Quadt, A.; Ruske, O.; Tickner, J. R.; Uijterwaal, H.; Walczak, R.; Waters, D. S.; Bertolin, A.; Brugnera, R.; Carlin, R.; dal Corso, F.; Dosselli, U.; Limentani, S.; Morandin, M.; Posocco, M.; Stanco, L.; Stroili, R.; Voci, C.; Bulmahn, J.; Feild, R. G.; Oh, B. Y.; Okrasiński, J. R.; Whitmore, J. J.; Iga, Y.; D'Agostini, G.; Marini, G.; Nigro, A.; Raso, M.; Hart, J. C.; McCubbin, N. A.; Shah, T. P.; Barberis, E.; Dubbs, T.; Heusch, C.; van Hook, M.; Lockman, W.; Rahn, J. T.; Sadrozinski, H. F.-W.; Seiden, A.; Williams, D. C.; Schwarzer, O.; Walenta, A. H.; Abramowicz, H.; Briskin, G.; Dagan, S.; Doeker, T.; Kananov, S.; Levy, A.; Abe, T.; Fusayasu, T.; Inuzuka, M.; Nagano, K.; Suzuki, I.; Umemori, K.; Yamashita, T.; Hamatsu, R.; Hirose, T.; Homma, K.; Kitamura, S.; Matsushita, T.; Yamauchi, K.; Cirio, R.; Costa, M.; Ferrero, M. I.; Maselli, S.; Monaco, V.; Peroni, C.; Petrucci, M. C.; Sacchi, R.; Solano, A.; Staiano, A.; Dardo, M.; Bailey, D. C.; Brkic, M.; Fagerstroem, C.-P.; Hartner, G. F.; Joo, K. K.; Levman, G. M.; Martin, J. F.; Orr, R. S.; Polenz, S.; Sampson, C. R.; Simmons, D.; Teuscher, R. J.; Butterworth, J. M.; Catterall, C. D.; Jones, T. W.; Kaziewicz, P. B.; Lane, J. B.; Saunders, R. L.; Shulman, J.; Sutton, M. R.; Lu, B.; Mo, L. W.; Ciborowski, J.; Grzelak, G.; Kasprzak, M.; Muchorowski, K.; Nowak, R. J.; Pawlak, J. M.; Pawlak, R.; Tymieniecka, T.; Wróblewski, A. K.; Zakrzewski, J. A.; Adamus, M.; Coldewey, C.; Eisenberg, Y.; Hochman, D.; Karshon, U.; Revel, D.; Badgett, W. F.; Chapin, D.; Cross, R.; Dasu, S.; Foudas, C.; Loveless, R. J.; Mattingly, S.; Reeder, D. D.; Smith, W. H.; Vaiciulis, A.; Wodarczyk, M.; Bhadra, S.; Frisken, W. R.; Khakzad, M.; Schmidke, W. B.

    1997-02-01

    This paper presents measurements of D*+/- production in deep inelastic scattering from collisions between 27.5 GeV positrons and 820 GeV protons. The data have been taken with the ZEUS detector at HERA. The decay channel D*+ -> (D0 -> K- π+) π+ (+c.c.) has been used in the study. The e+p cross section for inclusive D*+/- production with 5 < Q2 < 100 GeV2 and y < 0.7 is 5.3 +/- 1.0 +/- 0.8 nb in the kinematic region 1.3 < pT(D*+/-) < 9.0 GeV and η(D*+/-) < 1.5. Differential cross sections as functions of pT(D*+/-), η(D*+/-), W and Q2 are compared with next-to-leading order QCD calculations based on the photon-gluon fusion production mechanism. After an extrapolation of the cross section to the full kinematic region in pT(D*+/-) and η(D*+/-), the charm contribution Fcc2 (x, Q2) to the proton structure function is determined for Bjorken x between 2.10-4 and 5.10-3.

  16. Hadron attenuation in deep inelastic lepton-nucleus scattering

    SciTech Connect

    Falter, T.; Cassing, W.; Gallmeister, K.; Mosel, U.

    2004-11-01

    We present a detailed theoretical investigation of hadron attenuation in deep inelastic scattering off complex nuclei in the kinematic regime of the HERMES experiment. The analysis is carried out in the framework of a probabilistic coupled-channel transport model based on the Boltzmann-Uehling-Uhlenbeck equation, which allows for a treatment of the final-state interactions beyond simple absorption mechanisms. Furthermore, our event-by-event simulations account for the kinematic cuts of the experiments as well as the geometrical acceptance of the detectors. We calculate the multiplicity ratios of charged hadrons for various nuclear targets relative to deuterium as a function of the photon energy {nu}, the hadron energy fraction z{sub h}=E{sub h}/{nu}, and the transverse momentum p{sub T}. We also confront our model results on double-hadron attenuation with recent experimental data. Separately, we compare the attenuation of identified hadrons ({pi}{sup {+-}}, {pi}{sup 0}, K{sup {+-}}, p, and p) on {sup 20}Ne and {sup 84}Kr targets with the data from the HERMES Collaboration and make predictions for a {sup 131}Xe target. At the end we turn towards hadron attenuation on {sup 63}Cu nuclei at EMC energies. Our studies demonstrate that (pre-)hadronic final-state interactions play a dominant role in the kinematic regime of the HERMES experiment while our present approach overestimates the attenuation at EMC energies.

  17. Probing and modeling of pressure-induced coordination transformation in borate glasses: Inelastic x-ray scattering study at high pressure

    SciTech Connect

    Lee, Sung Keun; Eng, Peter J.; Mao, Ho-kwang; Shu, Jinfu

    2009-01-15

    Here, we report on the in situ synchrotron inelastic x-ray scattering spectra of Na-borate glasses at high pressure up to 25 GPa. The pressure-induced boron coordination transformation from {sup [3]}B to {sup [4]}B is linear with pressure characterized by a single value of ({partial_derivative}{sup [3]}B/{partial_derivative}P){sub T}. Previous studies of Li-borate and pure-borate glasses show a nonlinear transformation with multiple ({partial_derivative}{sup [3]}B/{partial_derivative}P){sub T} values for different pressure ranges, revealing the important role cation field strength plays in densification and pressure-induced structural changes. Considering the distribution of the energy difference beween low- and high-pressure states ({Delta}{var_epsilon}) in the energy landscape and the variance of the ratio {Delta}{var_epsilon} to its pressure gradient ({partial_derivative}{Delta}{var_epsilon}/{partial_derivative}P){sub T} as a measure of network flexibility with pressure, an amorphous system with a large variance in {Delta}{var_epsilon} at 1 atm and/or a small ({partial_derivative}{Delta}{var_epsilon}/{partial_derivative}P){sub T} may undergo a gradual coordination transformation (e.g., Na borates). In contrast, a system with the opposite behavior (e.g., Li borates) undergoes an abrupt coordination transformation. The results and concepts of this study thus can shed light on opportunities to study the effect of composition on the nature of densification in low-z oxide and other archetypal glasses and melts.

  18. Inelastic and reactive scattering of hyperthermal atomic oxygen from amorphous carbon

    NASA Technical Reports Server (NTRS)

    Minton, Timothy K.; Nelson, Christine M.; Brinza, David E.; Liang, Ranty H.

    1991-01-01

    The reaction of hyperthermal oxygen atoms with an amorphous carbon-13 surface was studied using a modified universal crossed molecular beams apparatus. Time-of-flight distributions of inelastically scattered O-atoms and reactively scattered CO-13 and CO2-13 were measured with a rotatable mass spectrometer detector. Two inelastic scattering channels were observed, corresponding to a direct inelastic process in which the scattered O-atoms retain 20 to 30 percent of their initial kinetic energy and to a trapping desorption process whereby O-atoms emerge from the surface at thermal velocities. Reactive scattering data imply the formation of two kinds of CO products, slow products whose translational energies are determined by the surface temperature and hyperthermal (Approx. 3 eV) products with translational energies comprising roughly 30 percent of the total available energy (E sub avl), where E sub avl is the sum of the collision energy and the reaction exothermicity. Angular data show that the hyperthermal CO is scattered preferentially in the specular direction. CO2 product was also observed, but at much lower intensities than CO and with only thermal velocities.

  19. Elastic and Inelastic Scattering of Neutrons using a CLYC array

    NASA Astrophysics Data System (ADS)

    Brown, Tristan; Doucet, E.; Chowdhury, P.; Lister, C. J.; Wilson, G. L.; Devlin, M.; Mosby, S.

    2015-10-01

    CLYC scintillators, which have dual neutron and gamma response, have recently ushered in the possibility of fast neutron spectroscopy without time-of-flight (TOF). A 16-element array of 1'' x 1'' 6Li-depleted CLYC crystals, where pulse-shape-discrimination is achieved via digital pulse processing, has been commissioned at UMass Lowell. In an experiment at LANSCE, high energy neutrons were used to bombard 56Fe and 238U targets, in order to measure elastic and inelastic neutron scattering cross sections as a function of energy and angle with the array. The array is placed very close to the targets for enhanced geometrical solid angles for scattered neutrons compared to standard neutron-TOF measurements. A pulse-height spectrum of scattered neutrons in the detectors is compared to the energy of the incident neutrons, which is measured via the TOF of the pulsed neutrons from the source to the detectors. Recoil corrections are necessary to combine the energy spectra from all the detectors to obtain angle-integrated elastic and inelastic cross-sections. The detection techniques, analysis procedures and results will be presented. Supported by NNSA-SSAA program through DOE Grant DE-NA00013008.

  20. Dynamical regimes on the Cl + H2 collisions: Inelastic rainbow scattering

    NASA Astrophysics Data System (ADS)

    González-Sánchez, L.; Aldegunde, J.; Jambrina, P. G.; Aoiz, F. J.

    2011-08-01

    While Cl + H2 reactive collisions have been a subject of numerous experimental and theoretical studies, inelastic collisions leading to rotational energy transfer and/or vibrational excitation have been largely ignored. In this work, extensive quantum mechanical calculations covering the 0.5-1.5 eV total energy range and various initial rovibrational states have been carried out and used to perform a joint study of inelastic and reactive Cl + H2 collisions. Quasiclassical trajectories calculations complement the quantum mechanical results. The analysis of the inelastic transition probabilities has revealed the existence of two distinct dynamical regimes that correlate with low and high impact parameters, b, and are neatly separated by glory scattering. It has been found that while high-b collisions are mainly responsible for |Δj| = 2 transitions which dominate the inelastic scattering, they are very inefficient in promoting higher |Δj| transitions. The effectiveness of this type of collision also drops with rotational excitation of H2. In contrast, reactive scattering, that competes with |Δ j| > 2 inelastic transitions, is exclusively caused by low-b collisions, and it is greatly favored when the reactants get rotationally excited. Previous studies focusing on the reactivity of the Cl + H2 system established that the van der Waals well located in the entrance channel play a key role in determining the mechanism of the collisions. Our results prove this to be also a case for inelastic processes, where the origin of the double dynamical regime can be traced back to the influence exerted by this well that shapes the topology of the entrance channel of the Cl-H2 system.

  1. Lattice dynamics in copper indium diselenide by inelastic neutron scattering

    NASA Astrophysics Data System (ADS)

    Derollez, P.; Fouret, R.; Laamyem, A.; Hennion, B.; Gonzalez, J.

    1999-05-01

    The phonon dispersion curves along the [100] and [001] directions of CuInSe2 have been measured by inelastic neutron scattering. The neutron measurements reveal the uncertainty of optical measurements because of the large absorption of this material. The lattice dynamics is analysed with a rigid ion model: Born-von Karman short range interactions associated with long range electrostatic forces. The calculated dispersion curves are in good agreement with the experiment. The atomic displacements associated with each vibrational mode are used to discuss the optical phonons. The obtained results provide a strong experimental basis from which we can validate the ab initio methods.

  2. Transition probability functions for applications of inelastic electron scattering.

    PubMed

    Löffler, Stefan; Schattschneider, Peter

    2012-09-01

    In this work, the transition matrix elements for inelastic electron scattering are investigated which are the central quantity for interpreting experiments. The angular part is given by spherical harmonics. For the weighted radial wave function overlap, analytic expressions are derived in the Slater-type and the hydrogen-like orbital models. These expressions are shown to be composed of a finite sum of polynomials and elementary trigonometric functions. Hence, they are easy to use, require little computation time, and are significantly more accurate than commonly used approximations. PMID:22560709

  3. NLO QCD corrections to graviton induced deep inelastic scattering

    NASA Astrophysics Data System (ADS)

    Stirling, W. J.; Vryonidou, E.

    2011-06-01

    We consider Next-to-Leading-Order QCD corrections to ADD graviton exchange relevant for Deep Inelastic Scattering experiments. We calculate the relevant NLO structure functions by calculating the virtual and real corrections for a set of graviton interaction diagrams, demonstrating the expected cancellation of the UV and IR divergences. We compare the NLO and LO results at the centre-of-mass energy relevant to HERA experiments as well as for the proposed higher energy lepton-proton collider, LHeC, which has a higher fundamental scale reach.

  4. Inelastic neutron scattering studies of phonon spectra, and simulations of pressure-induced amorphization in tungstates A W O4 (A =Ba ,Sr ,Ca , and Pb )

    NASA Astrophysics Data System (ADS)

    Goel, Prabhatasree; Gupta, M. K.; Mittal, R.; Rols, S.; Achary, S. N.; Tyagi, A. K.; Chaplot, S. L.

    2015-03-01

    Lattice dynamics and high-pressure phase transitions in A W O4 (A =Ba ,Sr ,Ca , and Pb ) have been investigated using inelastic neutron scattering experiments, ab initio density functional theory calculations, and extensive molecular dynamics simulations. The vibrational modes that are internal to W O4 tetrahedra occur at the highest energies consistent with the relative stability of W O4 tetrahedra. The neutron data and the ab initio calculations are found to be in excellent agreement. The neutron and structural data are used to develop and validate an interatomic potential model. The model is used for classical molecular dynamics simulations to study their response to high pressure. We have calculated the enthalpies of the scheelite and fergusonite phases as a function of pressure, which confirms that the scheelite to fergusonite transition is second order in nature. With increase in pressure, there is a gradual change in the A O8 polyhedra, while there is no apparent change in the W O4 tetrahedra. We found that all the four tungstates amorphize at high pressure. This is in good agreement with available experimental observations which show amorphization at around 45 GPa in BaW O4 and 40 GPa in CaW O4 . Further molecular dynamics simulations at high pressure and high temperature indicate that application of pressure at higher temperature hastens the process of amorphization. On amorphization, there is an abrupt increase in the coordination of the W atom while the bisdisphenoids around the A atom are considerably distorted. The pair-correlation functions of the various atom pairs corroborate these observations. Our observations aid in predicting the pressure of amorphization in SrW O4 and PbW O4 .

  5. Precise QCD Predictions for the Production of Dijet Final States in Deep Inelastic Scattering.

    PubMed

    Currie, James; Gehrmann, Thomas; Niehues, Jan

    2016-07-22

    The production of two-jet final states in deep inelastic scattering is an important QCD precision observable. We compute it for the first time to next-to-next-to-leading order (NNLO) in perturbative QCD. Our calculation is fully differential in the lepton and jet variables and allows one to impose cuts on the jets in both the laboratory and the Breit frame. We observe that the NNLO corrections are moderate in size, except at kinematical edges, and that their inclusion leads to a substantial reduction of the scale variation uncertainty on the predictions. Our results will enable the inclusion of deep inelastic dijet data in precision phenomenology studies. PMID:27494466

  6. Precise QCD Predictions for the Production of Dijet Final States in Deep Inelastic Scattering

    NASA Astrophysics Data System (ADS)

    Currie, James; Gehrmann, Thomas; Niehues, Jan

    2016-07-01

    The production of two-jet final states in deep inelastic scattering is an important QCD precision observable. We compute it for the first time to next-to-next-to-leading order (NNLO) in perturbative QCD. Our calculation is fully differential in the lepton and jet variables and allows one to impose cuts on the jets in both the laboratory and the Breit frame. We observe that the NNLO corrections are moderate in size, except at kinematical edges, and that their inclusion leads to a substantial reduction of the scale variation uncertainty on the predictions. Our results will enable the inclusion of deep inelastic dijet data in precision phenomenology studies.

  7. Toroidal silicon polarization analyzer for resonant inelastic x-ray scattering.

    PubMed

    Gao, Xuan; Casa, Diego; Kim, Jungho; Gog, Thomas; Li, Chengyang; Burns, Clement

    2016-08-01

    Resonant Inelastic X-ray Scattering (RIXS) is a powerful probe for studying electronic excitations in materials. Standard high energy RIXS measurements do not measure the polarization of the scattered x-rays, which is unfortunate since it carries information about the nature and symmetry of the excitations involved in the scattering process. Here we report the fabrication of thin Si-based polarization analyzers with a double-concave toroidal surface, useful for L-edge RIXS studies in heavier atoms such as the 5-d transition metals. PMID:27587100

  8. Photon correlations generated by inelastic scattering in a one-dimensional waveguide coupled to three-level systems

    NASA Astrophysics Data System (ADS)

    Fang, Yao-Lung L.; Baranger, Harold U.

    2016-04-01

    We study photon correlations generated by scattering from three-level systems (3LS) in one dimension. The two systems studied are a 3LS in a semi-infinite waveguide (3LS plus a mirror) and two 3LS in an infinite waveguide (double 3LS). Our two-photon scattering approach naturally connects photon correlation effects with inelastically scattered photons; it corresponds to input-output theory in the weak-probe limit. At the resonance where electromagnetically induced transparency (EIT) occurs, we find that no photons are scattered inelastically and hence there are no induced correlations. Slightly away from EIT, the total inelastically scattered flux is large, being substantially enhanced due to the additional interference paths. This enhancement carries over to the two-photon correlation function, which exhibits non-classical behavior such as strong bunching with a very long time-scale. The long time scale originates from the slow-light effect associated with EIT.

  9. Reprint of : Photon correlations generated by inelastic scattering in a one-dimensional waveguide coupled to three-level systems

    NASA Astrophysics Data System (ADS)

    Fang, Yao-Lung L.; Baranger, Harold U.

    2016-08-01

    We study photon correlations generated by scattering from three-level systems (3LS) in one dimension. The two systems studied are a 3LS in a semi-infinite waveguide (3LS plus a mirror) and two 3LS in an infinite waveguide (double 3LS). Our two-photon scattering approach naturally connects photon correlation effects with inelastically scattered photons; it corresponds to input-output theory in the weak-probe limit. At the resonance where electromagnetically induced transparency (EIT) occurs, we find that no photons are scattered inelastically and hence there are no induced correlations. Slightly away from EIT, the total inelastically scattered flux is large, being substantially enhanced due to the additional interference paths. This enhancement carries over to the two-photon correlation function, which exhibits non-classical behavior such as strong bunching with a very long time-scale. The long time scale originates from the slow-light effect associated with EIT.

  10. Inelastic X-ray Scattering from Shocked Liquid Deuterium

    SciTech Connect

    Regan, S. P.; Falk, K.; Gregori, G.; Radha, P. B.; Hu, S. X.; Boehly, T. R.; Crowley, B.; Glenzer, S. H.; Landen, O.; Gericke, D. O.; Doeppner, T.; Meyerhofer, D. D.; Murphy, C. D.; Sangster, T. C.; Vorberger, J.

    2012-12-28

    The Fermi-degenerate plasma conditions created in liquid deuterium by a laser-ablation—driven shock wave were probed with noncollective, spectrally resolved, inelastic x-ray Thomson scattering employing Cl Lyα line emission at 2.96 keV. Thus, these first x-ray Thomson scattering measurements of the microscopic properties of shocked deuterium show an inferred spatially averaged electron temperature of 8±5 eV, an electron density of 2.2(±0.5)×1023 cm-3, and an ionization of 0.8 (-0.25, +0.15). Our two-dimensional hydrodynamic simulations using equation-of-state models suited for the extreme parameters occurring in inertial confinement fusion research and planetary interiors are consistent with the experimental results.

  11. Inelastic x-ray scattering from shocked liquid deuterium.

    PubMed

    Regan, S P; Falk, K; Gregori, G; Radha, P B; Hu, S X; Boehly, T R; Crowley, B J B; Glenzer, S H; Landen, O L; Gericke, D O; Döppner, T; Meyerhofer, D D; Murphy, C D; Sangster, T C; Vorberger, J

    2012-12-28

    The Fermi-degenerate plasma conditions created in liquid deuterium by a laser-ablation-driven shock wave were probed with noncollective, spectrally resolved, inelastic x-ray Thomson scattering employing Cl Ly(α) line emission at 2.96 keV. These first x-ray Thomson scattering measurements of the microscopic properties of shocked deuterium show an inferred spatially averaged electron temperature of 8±5  eV, an electron density of 2.2(±0.5)×10(23)  cm(-3), and an ionization of 0.8 (-0.25, +0.15). Two-dimensional hydrodynamic simulations using equation-of-state models suited for the extreme parameters occurring in inertial confinement fusion research and planetary interiors are consistent with the experimental results. PMID:23368573

  12. Inelastic X-ray Scattering from Shocked Liquid Deuterium

    DOE PAGESBeta

    Regan, S. P.; Falk, K.; Gregori, G.; Radha, P. B.; Hu, S. X.; Boehly, T. R.; Crowley, B.; Glenzer, S. H.; Landen, O.; Gericke, D. O.; et al

    2012-12-28

    The Fermi-degenerate plasma conditions created in liquid deuterium by a laser-ablation—driven shock wave were probed with noncollective, spectrally resolved, inelastic x-ray Thomson scattering employing Cl Lyα line emission at 2.96 keV. Thus, these first x-ray Thomson scattering measurements of the microscopic properties of shocked deuterium show an inferred spatially averaged electron temperature of 8±5 eV, an electron density of 2.2(±0.5)×1023 cm-3, and an ionization of 0.8 (-0.25, +0.15). Our two-dimensional hydrodynamic simulations using equation-of-state models suited for the extreme parameters occurring in inertial confinement fusion research and planetary interiors are consistent with the experimental results.

  13. Resonant inelastic contact scattering of X-ray photons on atoms and ions

    NASA Astrophysics Data System (ADS)

    Hopersky, A. N.; Nadolinsky, A. M.; Yavna, V. A.

    2006-10-01

    The existence of an extended resonance structure outside the X-ray emission regions is theoretically predicted in the total double differential cross section for the scattering of linearly polarized photons on free atoms (ions). This structure is almost entirely determined by inelastic photon scattering of the contact type. The amplitude of the inelastic contact scattering probability is described using an analytical expression for a non-relativistic transition operator, which was previously obtained by the author outside the dipole and momentum approximations. The resonant inelastic contact scattering of X-ray photons on a neon atom and neonlike ions of argon, titanium, and iron has been studied. Calculations were performed in a nonrelativistic approximation for the wave functions of the scattering states, with allowance for many-body effects of the radial relaxation of one-electron orbitals in the Hartree-Fock field of a deep 1 s vacancy and (for neon atom) the double excitation/ionization of the ground atomic state.

  14. Inelastic Proton Scattering on 21Na in Inverse Kinematics

    NASA Astrophysics Data System (ADS)

    Austin, Roby

    2009-10-01

    R.A.E. Austin, R. Kanungo, S. Reeve, Saint Mary's University; D.G. Jenkins, C.Aa.Diget, A. Robinson, A.G. Tuff, O. Roberts, University of York, UK; P.J. Woods, T. Davinson, G. J. Lotay, University of Edinburgh; C.-Y. Wu, Lawrence Livermore National Laboratory; H. Al Falou, G.C. Ball, M. Djongolov, A. Garnsworthy, G. Hackman, J.N. Orce, C.J. Pearson, S. Triambak, S.J. Williams, TRIUMF; C. Andreiou, D.S. Cross, N. Galinski, R. Kshetri, Simon Fraser University; C. Sumithrarachchi, M.A. Schumaker, University of Guelph; M.P. Jones, S.V. Rigby, University of Liverpool; D. Cline, A. Hayes, University of Rochester; T.E. Drake, University of Toronto; We describe an experiment and associated technique [1] to measure resonances of interest in astrophysical reactions. At the TRIUMF ISAC-II radioactive beam accelerator facility in Canada, particles inelastically scattered in inverse kinematics are detected with Bambino, a δE-E silicon telescope spanning 15-40 degrees in the lab. We use the TIGRESS to detect gamma rays in coincidence with the charged particles to cleanly select inelastic scattering events. We measured resonances above the alpha threshold in ^22Mg of relevance to the rate of break-out from the hot-CNO cycle via the reaction ^ 18Ne(α,p)^21Na. [1] PJ Woods et al. Rex-ISOLDE proposal 424 Cern (2003).

  15. Dynamical transition of myoglobin revealed by inelastic neutron scattering

    NASA Astrophysics Data System (ADS)

    Doster, Wolfgang; Cusack, Stephen; Petry, Winfried

    1989-02-01

    Structural fluctuations in proteins on the picosecond timescale have been studied in considerable detail by theoretical methods such as molecular dynamics simulation1,2, but there exist very few experimental data with which to test the conclusions. We have used the technique of inelastic neutron scattering to investigate atomic motion in hydrated myoglobin over the temperature range 4 350 K and on the molecular dynamics timescale 0.1 100 ps. At temperatures below 180 K myglobin behaves as a harmonic solid, with essentially only vibrational motion. Above 180 K there is a striking dynamic transition arising from the excitation of non-vibrational motion, which we interpret as corresponding to tor-sional jumps between states of different energy, with a mean energy asymmetry of KJ mol -1. This extra mobility is reflected in a strong temperature dependence of the mean-square atomic displacements, a phenomenon previously observed specifically for the heme iron by Mossbauer spectroscopy3 5, but on a much slower timescale (10-7 s). It also correlates with a glass-like transition in the hydration shell of myoglobin6 and with the temperature-dependence of ligand-binding rates at the heme iron, as monitored by flash photolysis7. In contrast, the crystal structure of myoglobin determined down to 80 K shows no significant structural transition8 10. The dynamical behaviour we find for myoglobin (and other globular proteins) suggests a coupling of fast local motions to slower collective motions, which is a characteristic feature of other dense glass-forming systems.

  16. Level crossings and zero-field splitting in the {Cr8}-cubane spin-cluster studied using inelastic neutron scattering and magnetization

    SciTech Connect

    Vaknin, D.; Garlea, Vasile O; Demmel, F.; Mamontov, Eugene; Nojiri, H; Martin, Catalin; Chiorescu, Irinel; Qiu, Y.; Luban, M.; Kogerler, P.; Fielden, J.; Engelhardt, L; Rainey, C

    2010-01-01

    Inelastic neutron scattering (INS) in variable magnetic field and high-field magnetization measurements in the millikelvin temperature range were performed to gain insight into the low-energy magnetic excitation spectrum and the field-induced level crossings in the molecular spin cluster {Cr8}-cubane. These complementary techniques provide consistent estimates of the lowest level-crossing field. The overall features of the experimental data are explained using an isotropic Heisenberg model, based on three distinct exchange interactions linking the eight CrIII paramagnetic centers (spins s = 3/2), that is supplemented with a relatively large molecular magnetic anisotropy term for the lowest S = 1 multiplet. It is noted that the existence of the anisotropy is clearly evident from the magnetic field dependence of the excitations in the INS measurements, while the magnetization measurements are not sensitive to its effects.

  17. High-resolution inelastic neutron scattering and neutron powder diffraction study of the adsorption of dihydrogen by the Cu(II) metal-organic framework material HKUST-1

    NASA Astrophysics Data System (ADS)

    Callear, Samantha K.; Ramirez-Cuesta, Anibal J.; David, William I. F.; Millange, Franck; Walton, Richard I.

    2013-12-01

    We present new high-resolution inelastic neutron scattering (INS) spectra (measured using the TOSCA and MARI instruments at ISIS) and powder neutron diffraction data (measured on the diffractometer WISH at ISIS) from the interaction of the prototypical metal-organic framework HKUST-1 with various dosages of dihydrogen gas. The INS spectra show direct evidence for the sequential occupation of various distinct sites for dihydrogen in the metal-organic framework, whose population is adjusted during increasing loading of the guest. The superior resolution of TOSCA reveals subtle features in the spectra, not previously reported, including evidence for split signals, while complementary spectra recorded on MARI present full information in energy and momentum transfer. The analysis of the powder neutron patterns using the Rietveld method shows a consistent picture, allowing the crystallographic indenisation of binding sites for dihydrogen, thus building a comprehensive picture of the interaction of the guest with the nanoporous host.

  18. Resonant inelastic x-ray scattering study of charge excitations in superconducting and nonsuperconducting PrFeAsO₁₋y

    DOE PAGESBeta

    Jarrige, I.; Nomura, T.; Ishii, K.; Gretarsson, H.; Kim, Y.-J.; Kim, J.; Upton, M.; Casa, D.; Gog, T.; Ishikado, M.; et al

    2012-09-05

    We report the first observation by momentum-resolved resonant inelastic x-ray scattering of charge excitations in an iron-based superconductor and its parent compound, PrFeAsO₀.₇ and PrFeAsO, respectively, with two main results. First, using calculations based on a 16-band dp model, we show that the energy of the lowest-lying excitations, identified as dd interband transitions of dominant xz,yz orbital character, exhibits a dramatic dependence on electron correlation. This enables us to estimate the Coulomb repulsion U and Hund's coupling J, and to highlight the role played by J in these peculiar orbital-dependent electron correlation effects. Second, we show that short-range antiferromagnetic correlations,more » which are a prerequisite to the occurrence of these excitations at the Γ point, are still present in the superconducting state.« less

  19. Resonant inelastic x-ray scattering study of charge excitations in superconducting and nonsuperconducting PrFeAsO₁₋y

    SciTech Connect

    Jarrige, I.; Nomura, T.; Ishii, K.; Gretarsson, H.; Kim, Y.-J.; Kim, J.; Upton, M.; Casa, D.; Gog, T.; Ishikado, M.; Fukuda, T.; Yoshida, M.; Hill, J. P.; Liu, X.; Hiraoka, N.; Tsuei, K. D.; Shamoto, S.

    2012-09-05

    We report the first observation by momentum-resolved resonant inelastic x-ray scattering of charge excitations in an iron-based superconductor and its parent compound, PrFeAsO₀.₇ and PrFeAsO, respectively, with two main results. First, using calculations based on a 16-band dp model, we show that the energy of the lowest-lying excitations, identified as dd interband transitions of dominant xz,yz orbital character, exhibits a dramatic dependence on electron correlation. This enables us to estimate the Coulomb repulsion U and Hund's coupling J, and to highlight the role played by J in these peculiar orbital-dependent electron correlation effects. Second, we show that short-range antiferromagnetic correlations, which are a prerequisite to the occurrence of these excitations at the Γ point, are still present in the superconducting state.

  20. On the absence of a positive sound dispersion in the THz dynamics of glycerol: an inelastic x-ray scattering study

    SciTech Connect

    Cunsolo, Alessandro

    2012-10-23

    The high frequency transport properties of glycerol are derived from inelastic x-ray scattering spectra measured at different pressures and compared with ultrasound absorption data. As a result, the presence of two distinct relaxation processes is inferred: a slow one, occurring in the GHz window and having an essentially structural character, and a fast one, related instead to microscopic degrees of freedom. While the former originates a neat increase of the apparent, i.e. frequency-dependent, sound velocity, the latter induces no visible dispersive effects on the acoustic propagation. The observed behavior is likely paradigmatic of all glass formers near or below the melting and it is here discussed and explained in some detail.

  1. Inelastic X-ray scattering studies of the short-time collective vibrational motions in hydrated lysozyme powders and their possible relation to enzymatic function.

    PubMed

    Wang, Zhe; Bertrand, Christopher E; Chiang, Wei-Shan; Fratini, Emiliano; Baglioni, Piero; Alatas, Ahmet; Alp, E Ercan; Chen, Sow-Hsin

    2013-01-31

    High-resolution inelastic X-ray scattering was used to investigate the collective vibrational excitations in hydrated lysozyme powders as a function of hydration level and temperature. It is found that the samples with strong enzymatic function are "soft", in the sense that they exhibit low frequency and large amplitude intraprotein collective vibrational motions on certain length scales. This is not the case for samples with weak or no enzymatic activity. Thus, we identify a possible correlation between the short-time intraprotein collective vibrational motions and the establishment of enzymatic function in hydrated lysozyme powders, and bring new insight to notions of protein "conformational flexibility" and "softness" in terms of these motions. PMID:23301848

  2. Observation of multiple Zhang-Rice excitations in a correlatedsolid: Resonant inelastic X-ray scattering study of Li2CuO2

    SciTech Connect

    Learmonth, T.; McGuinness, C.; Glans, P.-A.; Downes, J.E.; Schmitt, T.; Duda, L.-C.; Guo, J.-H.; Chou, F.C.; Smith, K.E.

    2007-10-29

    Multiple Zhang-Rice type spectral features have been observed in resonant inelastic X-ray scattering (RIXS) from the quasi-one-dimensional cuprate charge transfer insulator Li{sub 2}CuO{sub 2}. The first feature appears at constant emission energy, and is associated with a Zhang-Rice singlet final state. The second is an interplaquette charge transfer excitation that results in a novel triplet Zhang-Rice-type final state. It is accompanied by the presence of a O 2p nonbonding to upper Hubbard band excitation at an energy close to that of a calculated triplet charge transfer Zhang-Rice-type excitation. The site selectivity and polarization rules associated with RIXS allows these two excitations to be distinguished.

  3. Raman and nuclear inelastic scattering study of the lattice dynamics of the [Fe(H2B(pz)2)2(phen)] spin crossover complex

    NASA Astrophysics Data System (ADS)

    Rat, Sylvain; Mikolasek, Mirko; Costá, José Sánchez; Chumakov, Aleksandr I.; Nicolazzi, William; Molnár, Gábor; Salmon, Lionel; Bousseksou, Azzedine

    2016-06-01

    We report on a combined nuclear inelastic scattering and metal isotope substitution based Raman spectroscopic investigation of lattice dynamics changes associated with the spin transition in the ferrous complex [Fe(H2B(pz)2)2(phen)] (pz = pyrazolyl, phen = 1,10-phenantroline). These techniques allowed us to identify Raman active metal - ligand stretching vibrations in the high spin (vHS = 232 cm-1) and low spin (vLS = 390 cm-1) states as well as to calculate associated changes of the Debye temperature (ΘDHS = 140 K, ΘDLS = 146 K), Debye sound velocity (vHS = 1282 m/s, vLS = 1300 m/s) and Young's modulus (EHS = 4.7 GPa, ELS = 5.2 GPa).

  4. State-to-state inelastic scattering of Stark-decelerated OH radicals with Ar atoms.

    PubMed

    Scharfenberg, Ludwig; Kłos, Jacek; Dagdigian, Paul J; Alexander, Millard H; Meijer, Gerard; van de Meerakker, Sebastiaan Y T

    2010-09-28

    The Stark deceleration method exploits the concepts of charged particle accelerator physics to produce molecular beams with a tunable velocity. These tamed molecular beams offer interesting perspectives for precise crossed beam scattering studies as a function of the collision energy. The method has advanced sufficiently to compete with state-of-the-art beam methods that are used for scattering studies throughout. This is demonstrated here for the scattering of OH radicals (X(2)Pi(3/2), J = 3/2, f) with Ar atoms, a benchmark system for the scattering of open-shell molecules with atoms. Parity-resolved integral state-to-state inelastic scattering cross sections are measured at collision energies between 80 and 800 cm(-1). The threshold behavior and collision energy dependence of 13 inelastic scattering channels is accurately determined. Excellent agreement is obtained with the cross sections predicted by close-coupling scattering calculations based on the most accurate ab initio OH + Ar potential energy surfaces to date. PMID:20657906

  5. Rotationally Inelastic Scattering of Quantum-State-Selected ND3 with Ar.

    PubMed

    Tkáč, Ondřej; Saha, Ashim K; Loreau, Jérôme; Parker, David H; van der Avoird, Ad; Orr-Ewing, Andrew J

    2015-06-11

    Rotationally inelastic scattering of ND3 with Ar is studied at mean collision energies of 410 and 310 cm(–1). In the experimental component of the study, ND3 molecules are prepared by supersonic expansion and subsequent hexapole state selection in the ground electronic and vibrational levels and in the jk(±) = 1(1) rotational level. A beam of state-selected ND3 molecules is crossed with a beam of Ar, and scattered ND3 molecules are detected in single final j′k′(±) quantum states using resonance enhanced multiphoton ionization spectroscopy. State-to-state differential cross sections for rotational-level changing collisions are obtained by velocity map imaging. The experimental measurements are compared with close-coupling quantum-mechanical scattering calculations performed using an ab initio potential energy surface. The computed DCSs agree well with the experimental measurements, confirming the high quality of the potential energy surface. The angular distributions are dominated by forward scattering for all measured final rotational and vibrational inversion symmetry states. This outcome is in contrast to our recent results for inelastic scattering of ND3 with He, where we observed significant amount of sideways and backward scattering for some final rotational levels of ND3. The differences between He and Ar collision partners are explained by differences in the potential energy surfaces that govern the scattering dynamics. PMID:25532415

  6. Dynamic color screening in diffractive deep inelastic scattering

    NASA Astrophysics Data System (ADS)

    Ingelman, Gunnar; Pasechnik, Roman; Werder, Dominik

    2016-05-01

    We present a novel Monte Carlo implementation of dynamic color screening via multiple exchanges of semisoft gluons as a basic QCD mechanism to understand diffractive electron-proton scattering at the HERA collider. Based on the kinematics of individual events in the standard QCD description of deep inelastic scattering at the parton level, which at low x is dominantly gluon initiated, the probability is evaluated for additional exchanges of softer gluons resulting in an overall color singlet exchange leading to a forward proton and a rapidity gap as the characteristic observables for diffractive scattering. The probability depends on the impact parameter of the soft exchanges and varies with the transverse size of the hard scattering subsystem and is therefore influenced by different QCD effects. We account for matrix elements and parton shower evolution either via conventional DGLAP log Q2 evolution with collinear factorization or CCFM small x evolution with k⊥ factorization and discuss the sensitivity to the gluon density distribution in the proton and the importance of large log x contributions. The overall result is, with only two model parameters which have theoretically motivated values, a satisfactory description of the observed diffractive cross section at HERA obtained in a wide kinematical range.

  7. Electronic Structure of the Mn[subscript 4]Ca Cluster in the Oxygen-Evolving Complex of Photosystem II Studied by Resonant Inelastic X-Ray Scattering

    SciTech Connect

    Yano, Junko; Pushkar, Yulia; Messinger, Johannes; Bergmann, Uwe; Glatzel, Pieter; Yachandra, Vittal K.

    2007-11-12

    Oxygen-evolving complex (Mn{sub 4}Ca cluster) of Photosystem II cycles through five intermediate states (S{sub i}-states, i = 0-4) before a molecule of dioxygen is released. During the S-state transitions, electrons are extracted from the OEC, either from Mn or alternatively from a Mn ligand. The oxidation state of Mn is widely accepted as Mn{sub 4}(III{sub 2},IV{sub 2}) and Mn{sub 4}(III,IV{sub 3}) for S{sub 1} and S{sub 2} states, while it is still controversial for the S{sub 0} and S{sub 3} states. We used resonant inelastic X-ray scattering (RIXS) to study the electronic structure of Mn{sub 4}Ca complex in the OEC. The RIXS data yield two-dimensional plots that provide a significant advantage by obtaining both K-edge pre-edge and L-edge-like spectra simultaneously. The second energy dimension separates the pre-edge (1s to 3d) transitions from the main K-edge (1s to 4p), and thus more precise analysis is possible. The 1s2p RIXS final state electron configuration along the energy transfer axis is identical to conventional L-edge absorption spectroscopy and the RIXS spectra are therefore sensitive to the metal spin state. We have collected data from PS II samples in the each of the S-states and compared them with data from various inorganic Mn complexes. The spectral changes in the Mn 1s2p{sub 3/2} RIXS spectra between the S-states are small compared to those of the oxides of Mn and coordination complexes. The results indicate strong covalency for the electronic configuration in the OEC, and we conclude that the electron is transferred from a strongly delocalized orbital, compared to those in Mn oxides or coordination complexes. The magnitude for the S{sub 0} to S{sub 1}, and S{sub 1} to S{sub 2} transitions is twice as large as that during the S{sub 2} to S{sub 3} transition, indicating that the electron for this transition is extracted from a highly delocalized orbital with little change in charge density at the Mn atoms. The RIXS spectra of S{sub 0} and S{sub 3

  8. New insights into the compressibility and high-pressure stability of Ni(CN)2: a combined study of neutron diffraction, Raman spectroscopy, and inelastic neutron scattering.

    PubMed

    Mishra, Sanjay K; Mittal, Ranjan; Zbiri, Mohamed; Rao, Rekha; Goel, Prabhatasree; Hibble, Simon J; Chippindale, Ann M; Hansen, Thomas; Schober, Helmut; Chaplot, Samrath L

    2016-02-01

    Nickel cyanide is a layered material showing markedly anisotropic behaviour. High-pressure neutron diffraction measurements show that at pressures up to 20.1 kbar, compressibility is much higher in the direction perpendicular to the layers, c, than in the plane of the strongly chemically bonded metal-cyanide sheets. Detailed examination of the behaviour of the tetragonal lattice parameters, a and c, as a function of pressure reveal regions in which large changes in slope occur, for example, in c(P) at 1 kbar. The experimental pressure dependence of the volume data is fitted to a bulk modulus, B0, of 1050 (20) kbar over the pressure range 0-1 kbar, and to 124 (2) kbar over the range 1-20.1 kbar. Raman spectroscopy measurements yield additional information on how the structure and bonding in the Ni(CN)2 layers change with pressure and show that a phase change occurs at about 1 kbar. The new high-pressure phase, (Phase PII), has ordered cyanide groups with sheets of D4h symmetry containing Ni(CN)4 and Ni(NC)4 groups. The Raman spectrum of phase PII closely resembles that of the related layered compound, Cu1/2Ni1/2(CN)2, which has previously been shown to contain ordered C≡N groups. The phase change, PI to PII, is also observed in inelastic neutron scattering studies which show significant changes occurring in the phonon spectra as the pressure is raised from 0.3 to 1.5 kbar. These changes reflect the large reduction in the interlayer spacing which occurs as Phase PI transforms to Phase PII and the consequent increase in difficulty for out-of-plane atomic motions. Unlike other cyanide materials e.g. Zn(CN)2 and Ag3Co(CN)6, which show an amorphization and/or a decomposition at much lower pressures (~100 kbar), Ni(CN)2 can be recovered after pressurising to 200 kbar, albeit in a more ordered form. PMID:26751175

  9. Toward a QCD analysis of jet rates in deep-inelastic Muon-Proton scattering

    SciTech Connect

    Salgado, C.W.; E665 Collaboration

    1993-08-01

    Measurements of multi-jet production rates in deep-inelastic Muon-Proton scattering at Fermilab-E665 are presented. Jet rates defined by the JADE clustering algorithm are compared to perturbative Quantum chromodynamics (PQCD) and different Monte Carlo model predictions. The applicability of the jet-parton duality hypothesis is studied. We obtain hadronic jet rates which are approximately a factor of two higher than PQCD predictions at the parton level. Possible causes for this discrepancy are discussed.

  10. Shadowing in the muon-xenon inelastic scattering cross section at 490 GeV

    NASA Astrophysics Data System (ADS)

    Adams, M. R.; Aïd, S.; Anthony, P. L.; Baker, M. D.; Bartlett, J.; Bhatti, A. A.; Braun, H. M.; Busza, W.; Carroll, T. J.; Conrad, J. M.; Coutrakon, G.; Davisson, R.; Derado, I.; Dhawan, S. K.; Dougherty, W.; Dreyer, T.; Dziunikowska, K.; Eckardt, V.; Ecker, U.; Erdmann, M.; Eskreys, A.; Fang, G.; Figiel, J.; Gebauer, H. J.; Geesaman, D. F.; Gilman, R.; Green, M. C.; Haas, J.; Halliwell, C.; Hanlon, J.; Hantke, D.; Hughes, V. W.; Jackson, H. E.; Jaffe, D. E.; Jancso, G.; Jansen, D. M.; Kaufman, S.; Kennedy, R. D.; Kirk, T.; Kobrak, H. G. E.; Krzywdzinski, S.; Kunori, S.; Lord, J. J.; Lubatti, H. J.; McLeod, D.; Magill, S.; Malecki, P.; Manz, A.; Melanson, H.; Michael, D. G.; Mohr, W.; Montgomery, H. E.; Morfin, J. G.; Nickerson, R. B.; O'Day, S.; Olkiewicz, K.; Osborne, L.; Papavassiliou, V.; Pawlik, B.; Pipkin, F. M.; Ramberg, E. J.; Röser, A.; Ryan, J. J.; Salgado, C.; Salvarani, A.; Schellman, H.; Schmitt, M.; Schmitz, N.; Schüler, K. P.; Seyerlein, H. J.; Skuja, A.; Snow, G. A.; Söldner-Rembold, S.; Steinberg, P. H.; Stier, H. E.; Stopa, P.; Swanson, R. A.; Talaga, R.; Tentindo-Repond, S.; Trost, H.-J.; Venkataramania, H.; Vidal, M.; Wilhelm, M.; Wilkes, J.; Wilson, Richard; Wittek, W.; Wolbers, S. A.; Zhao, T.; Fermilab E665 Collaboration

    1992-08-01

    Inelastic scattering of 490 GeV μ + from deuterium and xenon nuclei has been studied for xBj> s.001. The ratio of the xenon/deuterium cross section per nucleon is observed to vary with xBj, with a depletion in the kinematic range 0.001 < xBj < 0.025 which exhibits no significant Q2 dependence. An electromagnetic calorimeter was used to verify the radiative corrections.

  11. Bessel-Weighted Asymmetries in Semi Inclusive Deep Inelastic Scattering

    SciTech Connect

    D. Boer, L. Gamberg, B.U. Musch, A. Prokudin

    2011-10-01

    The concept of weighted asymmetries is revisited for semi-inclusive deep inelastic scattering. We consider the cross section in Fourier space, conjugate to the outgoing hadron's transverse momentum, where convolutions of transverse momentum dependent parton distribution functions and fragmentation functions become simple products. Individual asymmetric terms in the cross section can be projected out by means of a generalized set of weights involving Bessel functions. Advantages of employing these Bessel weights are that they suppress (divergent) contributions from high transverse momentum and that soft factors cancel in (Bessel-) weighted asymmetries. Also, the resulting compact expressions immediately connect to previous work on evolution equations for transverse momentum dependent parton distribution and fragmentation functions and to quantities accessible in lattice QCD. Bessel weighted asymmetries are thus model independent observables that augment the description and our understanding of correlations of spin and momentum in nucleon structure.

  12. D^* production in deep-inelastic scattering at low Q^2

    SciTech Connect

    Jung, Andreas W.; /Fermilab

    2011-07-01

    Inclusive production of D* mesons in deep-inelastic scattering at HERA is studied in the range 5 < Q{sup 2} < 100 GeV{sup 2} of the photon virtuality and 0.02 < y < 0.70 of the inelasticity of the scattering process. The visible range for the D* meson is p{sub T} (D*) > 1.25 GeV and |{eta}(D*)| < 1.8. The data were taken with the H1 detector in the years 2004 to 2007 and correspond to an integrated luminosity of 347 pb{sup -1}. Single and double differential cross sections are measured. The results are compared to QCD predictions.

  13. Perturbative QCD effects observed in 490 GeV deep-inelastic muon scattering

    SciTech Connect

    Adams, M.R.; Aied, S.; Anthony, P.L.; Baker, M.D.; Bartlett, J.; Bhatti, A.A.; Braun, H.M.; Busza, W.; Conrad, J.M.; Coutrakon, G.; Davisson, R.; Derado, I.; Dhawan, S.K.; Dougherty, W.; Dreyer, T.; Dziunikowska, K.; Eckardt, V.; Ecker, U.; Erdmann, M.; Eskreys, A.; Figiel, J.; Gebauer, H.J.; Geesaman, D.F.; Gilman, R.; Green, M.C.; Haas, J.; Halliwell, C.; Hanlon, J.; Hantke, D.; Hughes, V.W.; Jackson, H.E.; Jaffe, D.E.; Jancso, G.; Jansen, D.M.; Kaufman, S.; Kennedy, R.D.; Kirk, T.; Kobrak, H.G.E.; Krzywdzinski, S.; Kunori, S.; Lord, J.J.; Lubatti, H.J.; McLeod, D.; Magill, S.; Malecki, P.; Manz, A.; Melanson, H.; Michael, D.G.; Mohr, W.; Montgomery, H.E.; Morfin, J.G.; Nickerson, R.B.; O'Day, S.; Olkiewicz, K.; Osborne, L.; Papavassiliou, V.; Pawlik, B.; Pipkin, F.M.; Ramberg, E.J.; Roeser, A.; Ryan, J.J.; Salgado, C.W.; Salvarani, A.; Schellman, H.; Schmitt, M.; Schmitz, N.; Schueler, K.P.; Skuja, A.; Snow, G.A.; Soeldner-Rembold, S.; Steinberg, P.H.; Stier, H.E.; Stopa, P.; Swanso

    1993-12-01

    Results on forward charged hadrons in 490 GeV deep-inelastic muon scattering are presented. The transverse momenta, azimuthal asymmetry, and energy flow of events with four or more forward charged hadrons are studied. The range of the invariant hadronic mass squared 300[lt][ital W][sup 2][lt]900 GeV[sup 2]/[ital c][sup 4] extends higher than previous deep-inelastic muon scattering experiments. Data are compared to the predictions of the Lund Monte Carlo model with perturbative QCD simulated by matrix elements, parton showers, and color dipole radiation. All of the QCD-based models are consistent with the data while a model without QCD processes is not. Correlations with the multiplicity-independent event variable [Pi][congruent][summation][vert bar][ital p][sub [ital T

  14. High-contrast sub-millivolt inelastic X-ray scattering for nano- and mesoscale science

    PubMed Central

    Shvyd’ko, Yuri; Stoupin, Stanislav; Shu, Deming; Collins, Stephen P.; Mundboth, Kiran; Sutter, John; Tolkiehn, Martin

    2014-01-01

    Photon and neutron inelastic scattering spectrometers are microscopes for imaging condensed matter dynamics on very small length and time scales. Inelastic X-ray scattering permitted the first quantitative studies of picosecond nanoscale dynamics in disordered systems almost 20 years ago. However, the nature of the liquid-glass transition still remains one of the great unsolved problems in condensed matter physics. It calls for studies at hitherto inaccessible time and length scales, and therefore for substantial improvements in the spectral and momentum resolution of the inelastic X-ray scattering spectrometers along with a major enhancement in spectral contrast. Here we report a conceptually new spectrometer featuring a spectral resolution function with steep, almost Gaussian tails, sub-meV (≃620 μeV) bandwidth and improved momentum resolution. The spectrometer opens up uncharted space on the dynamics landscape. New results are presented on the dynamics of liquid glycerol, in the regime that has become accessible with the novel spectrometer. PMID:24953338

  15. Self Organizing Maps for use in Deep Inelastic Scattering

    NASA Astrophysics Data System (ADS)

    Askanazi, Evan

    2015-04-01

    Self Organizing Maps are a type of artificial neural network that has been proven to be particularly useful in solving complex problems in neural biology, engineering, robotics and physics. We are attempting to use the Self Organizing Map to solve problems and probe phenomenological patterns in subatomic physics, specifically in Deep Inelastic Scattering (DIS). In DIS there is a cross section in electron hadron scattering that is dependent on the momentum fraction x of the partons in the hadron and the momentum transfer of the virtual photon exchanged. There is a soft cross part of this cross section that currently can only be found through experimentation; this soft part is comprised of Structure Functions which in turn are comprised of the Parton Distribution Functions (PDFs). We aim to use the Self Organizing Process, or SOP, to take theoretical models of these PDFs and fit it to the previous, known data. The SOP will also be used to probe the behavior of the PDFs in particular at large x values, in order to observe how they congregate. The ability of the SOPto take multidimensional data and convert it into two dimensional output is anticipated to be particularly useful in achieving this aim.

  16. Compact turnkey focussing neutron guide system for inelastic scattering investigations

    NASA Astrophysics Data System (ADS)

    Brandl, G.; Georgii, R.; Dunsiger, S. R.; Tsurkan, V.; Loidl, A.; Adams, T.; Pfleiderer, C.; Böni, P.

    2015-12-01

    We demonstrate the performance of a compact neutron guide module which boosts the intensity in inelastic neutron scattering experiments by approximately a factor of 40. The module consists of two housings containing truly curved elliptic focussing guide elements, positioned before and after the sample. The advantage of the module lies in the ease with which it may be reproducibly mounted on a spectrometer within a few hours, on the same timescale as conventional sample environments. It is particularly well suited for samples with a volume of a few mm3, thus enabling the investigation of materials which to date would have been considered prohibitively small or samples exposed to extreme environments, where there are space constraints. We benchmark the excellent performance of the module by measurements of the structural and magnetic excitations in single crystals of model systems. In particular, we report the phonon dispersion in the simple element lead. We also determine the magnon dispersion in the spinel ZnCr2Se4 (V = 12.5 mm3), where strong magnetic diffuse scattering at low temperatures evolves into distinct helical order.

  17. Compact turnkey focussing neutron guide system for inelastic scattering investigations

    SciTech Connect

    Brandl, G.; Georgii, R.; Dunsiger, S. R.; Tsurkan, V.; Loidl, A.; Adams, T.; Pfleiderer, C.; Böni, P.

    2015-12-21

    We demonstrate the performance of a compact neutron guide module which boosts the intensity in inelastic neutron scattering experiments by approximately a factor of 40. The module consists of two housings containing truly curved elliptic focussing guide elements, positioned before and after the sample. The advantage of the module lies in the ease with which it may be reproducibly mounted on a spectrometer within a few hours, on the same timescale as conventional sample environments. It is particularly well suited for samples with a volume of a few mm{sup 3}, thus enabling the investigation of materials which to date would have been considered prohibitively small or samples exposed to extreme environments, where there are space constraints. We benchmark the excellent performance of the module by measurements of the structural and magnetic excitations in single crystals of model systems. In particular, we report the phonon dispersion in the simple element lead. We also determine the magnon dispersion in the spinel ZnCr{sub 2}Se{sub 4} (V = 12.5 mm{sup 3}), where strong magnetic diffuse scattering at low temperatures evolves into distinct helical order.

  18. Elastic and inelastic scattering of neutrons from 56Fe

    NASA Astrophysics Data System (ADS)

    Ramirez, Anthony Paul; McEllistrem, M. T.; Liu, S. H.; Mukhopadhyay, S.; Peters, E. E.; Yates, S. W.; Vanhoy, J. R.; Harrison, T. D.; Rice, B. G.; Thompson, B. K.; Hicks, S. F.; Howard, T. J.; Jackson, D. T.; Lenzen, P. D.; Nguyen, T. D.; Pecha, R. L.

    2015-10-01

    The differential cross sections for elastic and inelastic scattered neutrons from 56Fe have been measured at the University of Kentucky Accelerator Laboratory (www.pa.uky.edu/accelerator) for incident neutron energies between 2.0 and 8.0 MeV and for the angular range 30° to 150°. Time-of-flight techniques and pulse-shape discrimination were employed for enhancing the neutron energy spectra and for reducing background. An overview of the experimental procedures and data analysis for the conversion of neutron yields to differential cross sections will be presented. These include the determination of the energy-dependent detection efficiencies, the normalization of the measured differential cross sections, and the attenuation and multiple scattering corrections. Our results will also be compared to evaluated cross section databases and reaction model calculations using the TALYS code. This work is supported by grants from the U.S. Department of Energy-Nuclear Energy Universities Program: NU-12-KY-UK-0201-05, and the Donald A. Cowan Physics Institute at the University of Dallas.

  19. Resonant inelastic x-ray scattering study of entangled spin-orbital excitations in superconducting PrFeAsO0.7

    NASA Astrophysics Data System (ADS)

    Nomura, T.; Harada, Y.; Niwa, H.; Ishii, K.; Ishikado, M.; Shamoto, S.; Jarrige, I.

    2016-07-01

    Low-energy electron excitation spectra were measured on a single crystal of a typical iron-based superconductor PrFeAsO0.7 using resonant inelastic x-ray scattering (RIXS) at the Fe -L3 edge. Characteristic RIXS features are clearly observed around 0.5, 1-1.5, and 2-3 eV energy losses. These excitations are analyzed microscopically with theoretical calculations using a 22-orbital model derived from first-principles electronic structure calculation. Based on the agreement with the experiment, the RIXS features are assigned to Fe-d orbital excitations which, at low energies, are accompanied by spin flipping and dominated by Fe dy z and dx z orbital characters. Furthermore, our calculations suggest dispersive momentum dependence of the RIXS excitations below 0.5 eV, and predict remarkable splitting and merging of the lower-energy excitations in momentum space. Those excitations, which were not observed in the present experiment, highlight the potential of RIXS with an improved energy resolution to unravel new details of the electronic structure of the iron-based superconductors.

  20. Development of a graphite polarization analyzer for resonant inelastic x-ray scattering

    SciTech Connect

    Gao Xuan; Burns, Clement; Li Chengyang; Casa, Diego; Upton, Mary; Gog, Thomas; Kim, Jungho

    2011-11-15

    Resonant inelastic x-ray scattering (RIXS) is a powerful technique for studying electronic excitations in correlated electron systems. Current RIXS spectrometers measure the changes in energy and momentum of the photons scattered by the sample. A powerful extension of the RIXS technique is the measurement of the polarization state of the scattered photons which contains information about the symmetry of the excitations. This long-desired addition has been elusive because of significant technical challenges. This paper reports the development of a new diffraction-based polarization analyzer which discriminates between linear polarization components of the scattered photons. The double concave surface of the polarization analyzer was designed as a good compromise between energy resolution and throughput. Such a device was fabricated using highly oriented pyrolytic graphite for measurements at the Cu K-edge incident energy. Preliminary measurements on a CuGeO{sub 3} sample are presented.

  1. Expression of a momentum-transfer scattering at an inelastic collision on electron transport in a collisional plasma

    NASA Astrophysics Data System (ADS)

    Makabe, Toshiaki

    2015-09-01

    An expression for the inelastic momentum-transfer scattering on the collision integral of the Boltzmann equation is derived in order to reflect the effect of the inelastic collision of an electron with a molecule on the electron kinetics in gases and collisional plasmas. To our knowledge, this is the first attempt to formulate the effect of the momentum-transfer scattering of an inelastic collision. The present procedure is a traditional one in which the Boltzmann equation of electrons is expanded by the Spherical-harmonics in velocity space. It is shown that the effect of the inelastic momentum-transfer on the electron transport is expressed only when we consider the first anisotropic part of the velocity distribution in the expanded Boltzmann equation. In addition, case studies are performed by considering the dependence of the scattering angle and the magnitude distribution. The influence of the inelastic momentum-transfer scattering on the electron transport should be further investigated, particularly in the case of a Ramsauer gas having the relation Qvib (v) >Qm (v) in the vicinity of the Ramsauer-minimum in SiH4, CH4, and CF4 etc.

  2. High-energy magnetic excitations in overdoped La2-xSrxCuO4 studied by neutron and resonant inelastic X-ray scattering

    SciTech Connect

    Wakimoto, S.; Ishii, K.; Kimura, H.; Fujita, M.; Dellea, G.; Kummer, K.; Braicovich, L.; Ghiringhelli, G.; Debeer-Schmitt, Lisa M.; Granroth, Garrett E.

    2015-05-21

    We have performed neutron inelastic scattering and resonant inelastic x-ray scattering (RIXS) at the Cu-L3 edge to study high-energy magnetic excitations at energy transfers of more than 100 meV for overdoped La2₋xSrxCuO4 with x=0.25 (Tc=15 K) and x=0.30 (nonsuperconducting) using identical single-crystal samples for the two techniques. From constant-energy slices of neutron-scattering cross sections, we have identified magnetic excitations up to ~250 meV for x=0.25. Although the width in the momentum direction is large, the peak positions along the (π,π) direction agree with the dispersion relation of the spin wave in the nondoped La2CuO4 (LCO), which is consistent with the previous RIXS results of cuprate superconductors. Using RIXS at the Cu-L3 edge, we have measured the dispersion relations of the so-called paramagnon mode along both (π,π) and (π,0) directions. Although in both directions the neutron and RIXS data connect with each other and the paramagnon along (π,0) agrees well with the LCO spin-wave dispersion, the paramagnon in the (π,π) direction probed by RIXS appears to be less dispersive and the excitation energy is lower than the spin wave of LCO near (π/2,π/2). Thus, our results indicate consistency between neutron inelastic scattering and RIXS, and elucidate the entire magnetic excitation in the (π,π) direction by the complementary use of two probes. The polarization dependence of the RIXS profiles indicates that appreciable charge excitations exist in the same energy range of magnetic excitations, reflecting the itinerant character of the overdoped sample. Lastly, we find a possible anisotropy in the charge excitation intensity might explain the apparent differences in the paramagnon dispersion in the (π,π) direction as detected by the x-ray scattering.

  3. Inelastic-impurity-scattering-induced spin texture and topological transitions in surface electron waves

    NASA Astrophysics Data System (ADS)

    Fransson, J.

    2015-09-01

    Inelastic scattering off magnetic impurities in a spin-chiral two-dimensional electron gas, e.g., the Rashba system, is shown to generate topological changes in the spin texture of the electron waves emanating from the scattering center. While elastic scattering gives rise to a purely in-plane spin texture for an in-plane magnetic scattering potential, out-of-plane components emerge upon activation of inelastic scattering processes. This property leads to a possibility to make controlled transitions between trivial and nontrivial topologies of the spin texture.

  4. Recent Advances in Development and Applications of the Mixed Quantum/Classical Theory for Inelastic Scattering.

    PubMed

    Babikov, Dmitri; Semenov, Alexander

    2016-01-28

    A mixed quantum/classical approach to inelastic scattering (MQCT) is developed in which the relative motion of two collision partners is treated classically, and the rotational and vibrational motion of each molecule is treated quantum mechanically. The cases of molecule + atom and molecule + molecule are considered including diatomics, symmetric-top rotors, and asymmetric-top rotor molecules. Phase information is taken into consideration, permitting calculations of elastic and inelastic, total and differential cross sections for excitation and quenching. The method is numerically efficient and intrinsically parallel. The scaling law of MQCT is favorable, which enables calculations at high collision energies and for complicated molecules. Benchmark studies are carried out for several quite different molecular systems (N2 + Na, H2 + He, CO + He, CH3 + He, H2O + He, HCOOCH3 + He, and H2 + N2) in a broad range of collision energies, which demonstrates that MQCT is a viable approach to inelastic scattering. At higher collision energies it can confidently replace the computationally expensive full-quantum calculations. At low collision energies and for low-mass systems results of MQCT are less accurate but are still reasonable. A proposal is made for blending MQCT calculations at higher energies with full-quantum calculations at low energies. PMID:26618533

  5. Phonon dynamics and inelastic neutron scattering of sodium niobate

    NASA Astrophysics Data System (ADS)

    Mishra, S. K.; Gupta, M. K.; Mittal, R.; Zbiri, M.; Rols, S.; Schober, H.; Chaplot, S. L.

    2014-05-01

    Sodium niobate (NaNbO3) exhibits an extremely complex sequence of structural phase transitions in the perovskite family and therefore provides an excellent model system for understanding the mechanism of structural phase transitions. We report temperature dependence of inelastic neutron scattering measurements of phonon densities of states in sodium niobate. The measurements are carried out in various crystallographic phases of this material at various temperatures from 300 to 1048 K. The phonon spectra exhibit peaks centered on 19, 37, 51, 70, and 105 meV. Interestingly, the peak near 70 meV shifts significantly towards lower energy with increasing temperature, while the other peaks do not exhibit any appreciable shift. The phonon spectra at 783 K show prominent change and become more diffusive as compared to those at 303 K. In order to better analyze these features, we have performed first-principles lattice dynamics calculations based on the density functional theory. The computed phonon density of states is found to be in good agreement with the experimental data. Based on our calculation we are able to assign the characteristic Raman modes in the antiferroelectric phase, which are due to the folding of the T (ω = 95 cm-1) and Δ (ω = 129 cm-1) points of the cubic Brillouin zone, to the A1g symmetry.

  6. Inelastic neutron scattering from tetramethylammonium cations occluded within zeolites

    SciTech Connect

    Brun, T.O.; Curtiss, L.A.; Iton, L.E.; Kleb, R.; Newsam, J.M.; Beyerlein, R.A.; Vaughan, D.E.W.

    1987-06-24

    The use of organic bases, for example, tetraalklylammonium hydroxides, and other organic reagents has greatly enhanced the scope of gel/solution synthesis routes to crystalline microporous materials such as zeolites. The role of these organic components, however, continues to be the topic of considerable debate. The organic components first modify the gel structural chemistry. The presence of tetramethylammonium (TMA) hydroxide, for example, promotes the formation of double four-ring units in silicate solutions. Occlusion of organic gel components in zeolite crystal structures, however, leads also to the concept of a templating effect in which the organic component provides a basis around which the developing zeolite cages form. The mechanism of this templating process remains somewhat ill defined and must, at least, be of variable specificity. The authors describe here the use of inelastic neutron scattering (INS) to measure TMA template torsional vibrations, vibrations that provide to be sensitive to the strength of the interaction between the template cation and the enclosing zeolite cage.

  7. Sivers Effect in Semi-Inclusive Deeply Inelastic Scattering and DRELL-YAN

    NASA Astrophysics Data System (ADS)

    Collins, J. C.; Efremov, A. V.; Goeke, K.; Grosse Perdekamp, M.; Menzel, S.; Meredith, B.; Metz, A.; Schweitzer, P.

    The Sivers function is extracted from HERMES data on single spin asymmetries in semi-inclusive deeply inelastic scattering. The result is used for making predictions for the Sivers effect in the Drell-Yan process.

  8. QCD analysis of neutrino charged current structure function F2 in deep inelastic scattering

    NASA Technical Reports Server (NTRS)

    Aleem, F.; Saleem, M.

    1985-01-01

    An analytic expression for the neutrino charged current structure function F sub 2 (x, Q sup 2) in deep inelastic scattering, consistent with quantum chromodynamics, is proposed. The calculated results are in good agreement with experiment.

  9. Focusing polycapillary to reduce parasitic scattering for inelastic x-ray measurements at high pressure

    SciTech Connect

    Chow, P. Xiao, Y. M.; Rod, E.; Bai, L. G.; Shen, G. Y.; Sinogeikin, S.; Gao, N.; Ding, Y.; Mao, H.-K.

    2015-07-15

    The double-differential scattering cross-section for the inelastic scattering of x-ray photons from electrons is typically orders of magnitude smaller than that of elastic scattering. With samples 10-100 μm size in a diamond anvil cell at high pressure, the inelastic x-ray scattering signals from samples are obscured by scattering from the cell gasket and diamonds. One major experimental challenge is to measure a clean inelastic signal from the sample in a diamond anvil cell. Among the many strategies for doing this, we have used a focusing polycapillary as a post-sample optic, which allows essentially only scattered photons within its input field of view to be refocused and transmitted to the backscattering energy analyzer of the spectrometer. We describe the modified inelastic x-ray spectrometer and its alignment. With a focused incident beam which matches the sample size and the field of view of polycapillary, at relatively large scattering angles, the polycapillary effectively reduces parasitic scattering from the diamond anvil cell gasket and diamonds. Raw data collected from the helium exciton measured by x-ray inelastic scattering at high pressure using the polycapillary method are compared with those using conventional post-sample slit collimation.

  10. Jet production and fragmentation properties in deep inelastic muon scattering

    NASA Astrophysics Data System (ADS)

    Arneodo, M.; Arvidson, A.; Aubert, J. J.; Badelek, B.; Beaufays, J.; Bee, C. P.; Benchouk, C.; Berghoff, G.; Bird, I.; Blum, D.; Böhm, E.; de Bouard, X.; Brasse, F. W.; Braun, H.; Broll, C.; Brown, S.; Brück, H.; Calen, H.; Chima, J. S.; Ciborowski, J.; Clifft, R.; Coignet, G.; Combley, F.; Conrad, J.; Coughlan, J.; D'Agostini, G.; Dahlgren, S.; Dengler, F.; Derado, I.; Dreyer, T.; Drees, J.; Drobnitzki, M.; Düren, M.; Eckardt, V.; Edwards, A.; Edwards, M.; Ernst, T.; Eszes, G.; Favier, J.; Ferrero, M. I.; Figiel, J.; Flauger, W.; Foster, J.; Ftàčnik, J.; Gabathuler, E.; Gajewski, J.; Gamet, R.; Gayler, J.; Geddes, N.; Grafström, P.; Grard, F.; Haas, J.; Hagberg, E.; Hasert, F. J.; Hayman, P.; Heusse, P.; Jaffre, M.; Jacholkowska, A.; Janata, F.; Jancso, G.; Johnson, A. S.; Kabuss, E. M.; Kellner, G.; Korbel, V.; Krüger, A.; Krüger, J.; Kullander, S.; Landgraf, U.; Lanske, D.; Loken, J.; Long, K.; Maire, M.; Malecki, P.; Manz, A.; Maselli, S.; Mohr, W.; Montanet, F.; Montgomery, H. E.; Nagy, E.; Nassalski, J.; Norton, P. R.; Oakham, F. G.; Osborne, A. M.; Pascaud, C.; Pawlik, B.; Payre, P.; Peroni, C.; Peschel, H.; Pessard, H.; Pettingale, J.; Pietrzyk, B.; Pietrzyk, U.; Pönsgen, B.; Pötsch, M.; Renton, P.; Ribarics, P.; Rith, K.; Rondio, E.; Sandacz, A.; Scheer, M.; Schlabböhmer, A.; Schiemann, H.; Schmitz, N.; Schneegans, M.; Scholz, M.; Schröder, T.; Schultze, K.; Sloan, T.; Stier, H. E.; Studt, M.; Taylor, G. N.; Thénard, J. M.; Thompson, J. C.; de La Torre, A.; Toth, J.; Urban, L.; Urban, L.; Wallucks, W.; Whalley, M.; Wheeler, S.; Williams, W. S. C.; Wimpenny, S. J.; Windmolders, R.; Wolf, G.; Ziemons, K.

    1987-12-01

    Results are presented from a study of deep inelastic 280 GeV muon-nucleon interactions on the transverse momenta and jet properties of the final state hadrons. The results are analysed in a way which attempts to separate the contributions of hard and soft QCD effects from those that arise from the fragmentation process. The fragmentation models with which the data are compared are the Lund string model, the independent jet model, the QCD parton shower model including soft gluon interference effects, and the firestring model. The discrimination between these models is discussed. Various methods of analysis of the data in terms of hard QCD processes are presented. From a study of the properties of the jet profiles a value of α s , to leading order, is determined using the Lund string model, namely α s =0.29±0.01 (stat.) ±0.02 (syst.), for Q 2˜20 GeV2.

  11. High resolution measurement of neutron inelastic scattering cross-sections for 23Na

    NASA Astrophysics Data System (ADS)

    Rouki, C.; Archier, P.; Borcea, C.; De Saint Jean, C.; Drohé, J. C.; Kopecky, S.; Moens, A.; Nankov, N.; Negret, A.; Noguère, G.; Plompen, A. J. M.; Stanoiu, M.

    2012-04-01

    The neutron inelastic scattering cross-section of 23Na has been measured in response to the relevant request of the OECD-NEA High Priority Request List, which requires a target uncertainty of 4% in the energy range up to 1.35 MeV for the development of sodium-cooled fast reactors. The measurement was performed at the GELINA facility with the Gamma Array for Inelastic Neutron Scattering (GAINS), featuring eight high purity germanium detectors. The setup is installed at a 200 m flight path from the neutron source and provides high resolution measurements using the (n,n'γ)-technique. The sample was an 80 mm diameter metallic sodium disk prepared at IRMM. Transitions up to the seventh excited state were observed and the differential gamma cross-sections at 110° and 150° were measured, showing mostly isotropic gamma emission. From these the gamma production, level and inelastic cross-sections were determined for neutron energies up to 3838.9 keV. The results agree well with the existing data and the evaluated nuclear data libraries in the low energies, and provide new experimental points in the little studied region above 2 MeV. Following a detailed review of the methodology used for the gamma efficiency calibrations and flux normalization of GAINS data, an estimated total uncertainty of 2.2% was achieved for the inelastic cross-section integrals over the energy ranges 0.498-1.35 MeV and 1.35-2.23 MeV, meeting the required targets.

  12. Momentum-resolved resonant and nonresonant inelastic x-ray scattering at the Advanced Photon Source.

    SciTech Connect

    Gog, T.; Seidler, G. T.; Casa, D. M.; Upton, M. H.; Kim, J.; Shvydko, Y.; Stoupin, S.; Nagle, K. P.; Balasubramanian, M.; Gordon, R. A.; Fister, T. T.; Heald, S. M.; Toellner, T.; Hill, J. P.; Coburn, D. S.; Kim, Y. J.; Said, A. H.; Alp, E. E.; Sturhahn, W.; Yavas, H.; Burns, C. A.; Sinn, H.

    2009-11-01

    The study of electronic excitations by inelastic X-ray scattering (IXS) has a rich history. Very early IXS work, for example, provided seminal demonstrations of the validity of relativistic kinematics and the quantum hypothesis and of Fermi-Dirac statistics. While there have been many important results in the interim, it has been the development of the third generation light sources together with continuing innovations in the manufacture and implementation of dispersive X-ray optics that has led to the rapid growth of IXS studies of electronic excitations.

  13. Jet rates from deep inelastic muon scattering in the W range of 15 to 35 GeV

    SciTech Connect

    Salgado, C.

    1991-08-01

    Production rates of forward jets in deep inelastic muon scattering are studied using the JADE jet finding algorithm. The evolution of di-jet rates with W is compared to QCD first order predictions in the W range of 15 to 25 GeV. 7 refs., 3 figs.

  14. Probing Scattering Resonances in (Ultra)Cold Inelastic NO-He Collisions.

    PubMed

    Onvlee, Jolijn; Avoird, Ad van der; Groenenboom, Gerrit; van de Meerakker, Sebastiaan Y T

    2016-07-14

    We theoretically study inelastic collisions between NO radicals and He atoms at low collision energies, focusing on the occurrence of scattering resonances. We specifically investigate de-excitation of rotationally excited NO radicals (X (2)Π1/2, v = 0, j = 3/2, f) at collision energies ranging from 10(-3) to 20 cm(-1) and compute integral and differential cross sections using quantum mechanical close-coupling calculations. Although unconventional, we show that the measurement of rotational de-excitation cross sections brings several advantages to experiments that aim to study rotational energy transfer at temperatures approaching zero kelvin. We analyze the nature and partial wave composition of the quasi-bound states associated with each individual resonance and compute the scattering wave functions. The differential cross sections contain the partial wave fingerprints of the scattering process and are found to change drastically as the collision energy is varied over the resonances. The prospects for measuring these differential cross sections in inelastic de-excitation collisions at low energies are discussed. PMID:26760050

  15. Final-state interactions in semi-inclusive deep inelastic scattering off the Deuteron

    SciTech Connect

    Wim Cosyn, Misak Sargsian

    2011-07-01

    Semi-inclusive deep inelastic scattering off the Deuteron with production of a slow nucleon in recoil kinematics is studied in the virtual nucleon approximation, in which the final state interaction (FSI) is calculated within general eikonal approximation. The cross section is derived in a factorized approach, with a factor describing the virtual photon interaction with the off-shell nucleon and a distorted spectral function accounting for the final-state interactions. One of the main goals of the study is to understand how much the general features of the diffractive high energy soft rescattering accounts for the observed features of FSI in deep inelastic scattering (DIS). Comparison with the Jefferson Lab data shows good agreement in the covered range of kinematics. Most importantly, our calculation correctly reproduces the rise of the FSI in the forward direction of the slow nucleon production angle. By fitting our calculation to the data we extracted the W and Q{sup 2} dependences of the total cross section and slope factor of the interaction of DIS products, X, off the spectator nucleon. This analysis shows the XN scattering cross section rising with W and decreasing with an increase of Q{sup 2}. Finally, our analysis points at a largely suppressed off-shell part of the rescattering amplitude.

  16. Spherical momentum distribution of the protons in hexagonal ice from modeling of inelastic neutron scattering data

    NASA Astrophysics Data System (ADS)

    Flammini, D.; Pietropaolo, A.; Senesi, R.; Andreani, C.; McBride, F.; Hodgson, A.; Adams, M. A.; Lin, L.; Car, R.

    2012-01-01

    The spherical momentum distribution of the protons in ice is extracted from a high resolution deep inelastic neutron scattering experiment. Following a recent path integral Car-Parrinello molecular dynamics study, data were successfully interpreted in terms of an anisotropic Gaussian model, with a statistical accuracy comparable to that of the model independent scheme used previously, but providing more detailed information on the three dimensional potential energy surface experienced by the proton. A recently proposed theoretical concept is also employed to directly calculate the mean force from the experimental neutron Compton profile, and to evaluate the accuracy required to unambiguously resolve and extract the effective proton potential from the experimental data.

  17. Measurement of hadron azimuthal distributions in deep inelastic muon proton scattering

    NASA Astrophysics Data System (ADS)

    Arneodo, M.; Arvidson, A.; Aubert, J. J.; Badelek, B.; Beaufays, J.; Bee, C. P.; Benchouk, C.; Berghoff, G.; Bird, I.; Blum, D.; Böhm, E.; de Bouard, X.; Brasse, F. W.; Braun, H.; Broll, C.; Brown, S.; Brück, H.; Calen, H.; Chima, J. S.; Ciborowski, J.; Clifft, R.; Coignet, G.; Combley, F.; Conrad, J.; Coughlan, J.; D'Agostini, G.; Dahlgren, S.; Dengler, F.; Derado, I.; Dreyer, T.; Drees, J.; Düren, M.; Eckardt, V.; Edwards, A.; Edwards, M.; Ernst, T.; Eszes, G.; Favier, J.; Ferrero, M. I.; Figiel, J.; Flauger, W.; Foster, J.; Gabathuler, E.; Gajewski, J.; Gamet, R.; Gayler, J.; Geddes, N.; Grafström, P.; Grard, F.; Haas, J.; Hagberg, E.; Hasert, F. J.; Hayman, P.; Heusse, P.; Jaffre, M.; Jacholkowska, A.; Janata, F.; Jancso, G.; Johnson, A. S.; Kabuss, E. M.; Kellner, G.; Korbel, V.; Krüger, J.; Kullander, S.; Landgraf, U.; Lanske, D.; Loken, J.; Long, K.; Maire, M.; Malecki, P.; Manz, A.; Maselli, S.; Mohr, W.; Montanet, F.; Montgomery, H. E.; Nagy, E.; Nassalski, J.; Norton, P. R.; Oakham, F. G.; Osborne, A. M.; Pascaud, C.; Pavel, N.; Pawlik, B.; Payre, P.; Peroni, C.; Peschel, H.; Pessard, H.; Pettingale, J.; Pietrzyk, B.; Pönsgen, B.; Pötsch, M.; Renton, P.; Ribarics, P.; Rith, K.; Rondio, E.; Scheer, M.; Sandacz, A.; Schlagböhmer, A.; Schiemann, H.; Schmitz, N.; Schneegans, M.; Scholz, M.; Schröder, T.; Schultze, K.; Sloan, T.; Stier, H. E.; Studt, M.; Taylor, G. N.; Thénard, J. M.; Thompson, J. C.; de La Torre, A.; Toth, J.; Urban, L.; Wallucks, W.; Whalley, M.; Wheeler, S.; Williams, W. S. C.; Wimpenny, S. J.; Windmolders, R.; Wolf, G.

    1987-09-01

    A study of the distribution of the azimuthal angle ϕ of charged hadrons in deep inelastic μ- p scattering is presented. The dependence of the moments of this distribution on the Feynman x variable and the momentum transverse to the virtual photon indicates that non-zero moments arise mainly from the effects of the intrinsic K T of the struck quark with < K {/T 2}>>≳(0.44 GeV)2, and to a lesser extent from QCD processes. No significant variation with Q 2 or W 2 is observed.

  18. Inelastic scattering in condensed matter with high intensity Moessbauer radiation

    SciTech Connect

    Yelon, W.B.; Schupp, G.

    1990-10-01

    We give a progress report for the work which has been carried out in the last three years with DOE support. A facility for high-intensity Moessbauer scattering is now fully operational at the University of Missouri Research Reactor (MURR) as well as facility at Purdue, using special isotopes produced at MURR. High precision, fundamental Moessbauer effect studies have been carried out using scattering to filter the unwanted radiation. These have led to a new Fourier transform method for describing Moessbauer effect (ME) lineshape and a direct method of fitting ME data to the convolution integral. These methods allow complete correction for source resonance self absorption (SRSA) and the accurate representation of interference effects that add an asymmetric component to the ME lines. We have begun applying these techniques to attenuated ME sources whose central peak has been attenuated by stationary resonant absorbers, to more precisely determine interference parameters and line-shape behavior in the resonance asymptotic region. This analysis is important to both the fundamental ME studies and to scattering studies for which a deconvolution is essential for extracting the correct recoilless fractions and interference parameters. A number of scattering studies have been successfully carried out including a study of the thermal diffuse scattering in Si, which led to an analysis of the resolution function for gamma-ray scattering. Also studied was the anharmonic motion in Na and the satellite reflection Debye-Waller factor in TaS{sub 2}, which indicate phason rather than phonon behavior. We have begun quasielastic diffusion studies in viscous liquids and current results are summarized. These advances, coupled to our improvements in MIcrofoil Conversion Electron spectroscopy lay the foundation for the proposed research outlined in this request for a three-year renewal of DOE support.

  19. Elastic and inelastic scattering of positrons in gases and solids

    NASA Technical Reports Server (NTRS)

    Mcgowan, J. W.

    1972-01-01

    Three apparatuses were designed and built: The first, which is now operative, was designed to study the details of positron thermalization in solids and the subsequent emission of the low energy positrons from moderating foils; The second apparatus now under test is a positron bottle similar in design to an electron trap. It was built to store positrons at a fixed energy and to look at the number of stored positrons (storage time) as a function of a scattering gas in the vacuum chamber. The third apparatus is a crossed beam apparatus where positron-, alkali scattering will be studied. Much of the apparatus is now under test with electrons.

  20. Electronic Structure of the ID Conductor K0.3MoO3 studied using resonant inelastic x-ray scattering and soft x-ray emission spectroscopy

    SciTech Connect

    Learmonth, T.; Glans, P.-A.; McGuinness, C.; Plucinski, L.; Zhang, Y.; Guo, J.-H.; Greenblatt, M.; Smith, K.E.

    2008-09-24

    The electronic structure of the quasi-one dimensional conductor K{sub 0.3}MoO{sub 3} has been measured using high resolution resonant inelastic x-ray scattering and x-ray absorption spectroscopy. The data is compared to that from the related two dimensional insulator {alpha}-MoO{sub 3}. Scattering features are observed from both oxides that are explained in terms of the band momentum selectivity of the scattering process, allowing a comparison of the scattering data to recent band structure calculations.

  1. Inelastic Neutron Scattering Study of a Nonmagnetic Collapsed Tetragonal Phase in Nonsuperconducting CaFe2As2: Evidence of the Impact of Spin Fluctuations on Superconductivity in the Iron-Arsenide Compounds

    NASA Astrophysics Data System (ADS)

    Soh, J. H.; Tucker, G. S.; Pratt, D. K.; Abernathy, D. L.; Stone, M. B.; Ran, S.; Bud'ko, S. L.; Canfield, P. C.; Kreyssig, A.; McQueeney, R. J.; Goldman, A. I.

    2013-11-01

    The relationship between antiferromagnetic spin fluctuations and superconductivity has become a central topic of research in studies of superconductivity in the iron pnictides. We present unambiguous evidence of the absence of magnetic fluctuations in the nonsuperconducting collapsed tetragonal phase of CaFe2As2 via inelastic neutron scattering time-of-flight data, which is consistent with the view that spin fluctuations are a necessary ingredient for unconventional superconductivity in the iron pnictides. We demonstrate that the collapsed tetragonal phase of CaFe2As2 is nonmagnetic, and discuss this result in light of recent reports of high-temperature superconductivity in the collapsed tetragonal phase of closely related compounds.

  2. Investigation of the domain wall dynamic by the inelastic light scattering method (abstract)

    NASA Astrophysics Data System (ADS)

    Kreines, N. M.

    1991-04-01

    Light scattering by a moving domain wall (DW) has been investigated by means of Brillouin-Mandel'stam spectroscopy for the first time.1,2 The proportional to the DW velocity frequency shift due to Doppler effect has been observed in the light scattering spectra in the weak ferromagnets. The DW velocity (till 13 km/s) and the intensity of the scattered light as a function of pulsed magnetic field are determined from the spectra at different temperatures. As the DW velocity approaches that of sound (transversal or longitudinal) the scattered light intensity increases dramatically due to phonons emitted by the DW (Cherenkov radiation). Regions of the nonstationary DW motion are observed wherein scattering spectra have complicated character. The inelastic light scattering directly by the excited sound soliton (or phonons) has been observed. The space and time spreading of this soliton was investigated.3 The mean free path l of the acoustic phonons was determined. For YFeO3 at T=2 K l≂300 μm for transversal sound with ν≂12 GHz. The temperature dependence of the DW mobility was studied.

  3. Low-lying 1- and 2+ states in 124Sn via inelastic scattering of 17O

    NASA Astrophysics Data System (ADS)

    Pellegri, L.; Bracco, A.; Crespi, F. C. L.

    2016-05-01

    The γ decay of low-lying 1-and 2+ states up to the neutron separation energy in 124Sn populate by the inelastic scattering of 17O was measured. The Angular distributions were measured both for the γ rays and the scattered 17O ions. The results are presented.

  4. Born Hartree Bethe approximation in the theory of inelastic electron molecule scattering

    NASA Astrophysics Data System (ADS)

    Kretinin, I. Yu; Krisilov, A. V.; Zon, B. A.

    2008-11-01

    We propose a new approximation in the theory of inelastic electron atom and electron molecule scattering. Taking into account the completeness property of atomic and molecular wavefunctions, considered in the Hartree approximation, and using Bethe's parametrization for electronic excitations during inelastic collisions via the mean excitation energy, we show that the calculation of the inelastic total integral cross-sections (TICS), in the framework of the first Born approximation, involves only the ground-state wavefunction. The final analytical formula obtained for the TICS, i.e. for the sum of elastic and inelastic ones, contains no adjusting parameters. Calculated TICS for electron scattering by light atoms and molecules (He, Ne, and H2) are in good agreement within the experimental data; results show asymptotic coincidence for heavier ones (Ar, Kr, Xe and N2).

  5. Inelastic X-ray scattering from 6H-SiC

    SciTech Connect

    Macrander, A.T.; Blasdell, B.; Montano, P.A. |; Kao, C.C.

    1995-07-01

    The authors have studied electronic excitations in 6H-SiC using inelastic x-ray scattering. Inelastic scattering spectra were measured at momentum transfers ranging from 0.47 {angstrom}{sup {minus}1} to 2.00 {angstrom}{sup {minus}1} along the c-axis in the hexagonal lattice, i.e. , along [00{center_dot}1], and from 0.67 {angstrom}{sup {minus}1} to 2.00 {angstrom}{sup {minus}1} along the a-axis, i.e., alone, [10{center_dot}0]. Comparison of the two sets of data reveals an orientation dependence of the spectra, except for a characteristic peak at 22--23 eV that occurs for both directions at low Q. This peak has also been observed in electron energy loss spectroscopy studies and is identified as a bulk plasmon. The orientation dependence of the other spectral features is indicative of band structure effects. These data were obtained using a Ge(444) analyzer in a near backscattering geometry.

  6. Perturbative QCD effects observed in 490 GeV deep-inelastic muon scattering

    NASA Astrophysics Data System (ADS)

    Adams, M. R.; Aïd, S.; Anthony, P. L.; Baker, M. D.; Bartlett, J.; Bhatti, A. A.; Braun, H. M.; Busza, W.; Conrad, J. M.; Coutrakon, G.; Davisson, R.; Derado, I.; Dhawan, S. K.; Dougherty, W.; Dreyer, T.; Dziunikowska, K.; Eckardt, V.; Ecker, U.; Erdmann, M.; Eskreys, A.; Figiel, J.; Gebauer, H. J.; Geesaman, D. F.; Gilman, R.; Green, M. C.; Haas, J.; Halliwell, C.; Hanlon, J.; Hantke, D.; Hughes, V. W.; Jackson, H. E.; Jaffe, D. E.; Jancso, G.; Jansen, D. M.; Kaufman, S.; Kennedy, R. D.; Kirk, T.; Kobrak, H. G.; Krzywdzinski, S.; Kunori, S.; Lord, J. J.; Lubatti, H. J.; McLeod, D.; Magill, S.; Malecki, P.; Manz, A.; Melanson, H.; Michael, D. G.; Mohr, W.; Montgomery, H. E.; Morfin, J. G.; Nickerson, R. B.; O'day, S.; Olkiewicz, K.; Osborne, L.; Papavassiliou, V.; Pawlik, B.; Pipkin, F. M.; Ramberg, E. J.; Röser, A.; Ryan, J. J.; Salgado, C. W.; Salvarani, A.; Schellman, H.; Schmitt, M.; Schmitz, N.; Schüler, K. P.; Skuja, A.; Snow, G. A.; Söldner-Rembold, S.; Steinberg, P. H.; Stier, H. E.; Stopa, P.; Swanson, R. A.; Talaga, R.; Tentindo-Repond, S.; Trost, H.-J.; Venkataramania, H.; Wilhelm, M.; Wilkes, J.; Wilson, Richard; Wittek, W.; Wolbers, S. A.; Zhao, T.

    1993-12-01

    Results on forward charged hadrons in 490 GeV deep-inelastic muon scattering are presented. The transverse momenta, azimuthal asymmetry, and energy flow of events with four or more forward charged hadrons are studied. The range of the invariant hadronic mass squared 300inelastic muon scattering experiments. Data are compared to the predictions of the Lund Monte Carlo model with perturbative QCD simulated by matrix elements, parton showers, and color dipole radiation. All of the QCD-based models are consistent with the data while a model without QCD processes is not. Correlations with the multiplicity-independent event variable Π~=J||pT|| are studied. The relationship between the azimuthal asymmetry and transverse momentum of forward hadrons is also presented. The data are most consistent with intrinsic parton transverse momentum squared k2T of 0.25 GeV2/c2.

  7. Band Structure of Helimagnons in MnSi Resolved by Inelastic Neutron Scattering

    NASA Astrophysics Data System (ADS)

    Kugler, M.; Brandl, G.; Waizner, J.; Janoschek, M.; Georgii, R.; Bauer, A.; Seemann, K.; Rosch, A.; Pfleiderer, C.; Böni, P.; Garst, M.

    2015-08-01

    A magnetic helix realizes a one-dimensional magnetic crystal with a period given by the pitch length λh . Its spin-wave excitations—the helimagnons—experience Bragg scattering off this periodicity, leading to gaps in the spectrum that inhibit their propagation along the pitch direction. Using high-resolution inelastic neutron scattering, the resulting band structure of helimagnons was resolved by preparing a single crystal of MnSi in a single magnetic-helix domain. At least five helimagnon bands could be identified that cover the crossover from flat bands at low energies with helimagnons basically localized along the pitch direction to dispersing bands at higher energies. In the low-energy limit, we find the helimagnon spectrum to be determined by a universal, parameter-free theory. Taking into account corrections to this low-energy theory, quantitative agreement is obtained in the entire energy range studied with the help of a single fitting parameter.

  8. Resonances in rotationally inelastic scattering of NH3 and ND3 with H2.

    PubMed

    Ma, Qianli; van der Avoird, Ad; Loreau, Jérôme; Alexander, Millard H; van de Meerakker, Sebastiaan Y T; Dagdigian, Paul J

    2015-07-28

    We present theoretical studies on the scattering resonances in rotationally inelastic collisions of NH3 and ND3 molecules with H2 molecules. We use the quantum close-coupling method to compute state-to-state integral and differential cross sections for the NH3/ND3-H2 system for collision energies between 5 and 70 cm(-1), using a previously reported potential energy surface [Maret et al., Mon. Not. R. Astron. Soc. 399, 425 (2009)]. We identify the resonances as shape or Feshbach resonances. To analyze these, we use an adiabatic bender model, as well as examination at the scattering wave functions and lifetimes. The strength and width of the resonance peaks suggest that they could be observed in a crossed molecular beam experiment involving a Stark-decelerated NH3 beam. PMID:26233134

  9. Integrated cross sections for excitation of nuclear isomers by inelastic photon scattering at giant resonance

    NASA Astrophysics Data System (ADS)

    Sáfár, József; Lakosi, László

    2014-02-01

    In the view of the evidences arising from our experimental and theoretical studies, the long-standing picture of a two-humped excitation function for photoexcitation of isomers cannot be confirmed. Whereas the first maximum (at the photoneutron threshold) of the cross section of nuclear photon scattering can be attributed to inelastic (compound) scattering, the second large peak at about giant dipole resonance is mostly due to the elastic (direct) process. A second large peak or increase reported to appear in isomer production has been shown to be practically vanishing. On realizing such a situation, calculated estimates have been given for saturated integral cross section values for isomer activation, based on photoabsorption cross sections taken from the usual Lorentzian parametrization up to the photoneutron threshold. Results compare reasonably well to available experimental data acquired by gamma-ray spectrometry in a large set of stable nuclides having long-lived isomeric states.

  10. Collective nature of spin excitations in superconducting cuprates probed by resonant inelastic X-ray scattering.

    PubMed

    Minola, M; Dellea, G; Gretarsson, H; Peng, Y Y; Lu, Y; Porras, J; Loew, T; Yakhou, F; Brookes, N B; Huang, Y B; Pelliciari, J; Schmitt, T; Ghiringhelli, G; Keimer, B; Braicovich, L; Le Tacon, M

    2015-05-29

    We used resonant inelastic x-ray scattering (RIXS) with and without analysis of the scattered photon polarization, to study dispersive spin excitations in the high temperature superconductor YBa_{2}Cu_{3}O_{6+x} over a wide range of doping levels (0.1≤x≤1). The excitation profiles were carefully monitored as the incident photon energy was detuned from the resonant condition, and the spin excitation energy was found to be independent of detuning for all x. These findings demonstrate that the largest fraction of the spin-flip RIXS profiles in doped cuprates arises from magnetic collective modes, rather than from incoherent particle-hole excitations as recently suggested theoretically [Benjamin et al. Phys. Rev. Lett. 112, 247002 (2014)]. Implications for the theoretical description of the electron system in the cuprates are discussed. PMID:26066453