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Sample records for bulk w110 photoelectron

  1. First-principles investigation of diffusion behaviours of H isotopes: From W(110) surface into bulk and in bulk W

    Institute of Scientific and Technical Information of China (English)

    Liu Yue-Lin; Lu Wei; Gao An-Yuan; Gui Li-Jiang; Zhang Ying

    2012-01-01

    The diffusion behaviours of hydrogen (H),deuterium (D),and tritium (T) from W(110) surface into bulk and in bulk W are investigated using first-principles calculations combined with simplified models.The diffusion energy barrier is shown to be 1.87 eV from W(110) surface to the subsurface,along with a much reduced harrier of 0.06 eV for the reverse diffusion process.After H enters into the bulk,its diffusion energy barrier with quantum correction is 0.19 eV.In terms of the diffusion theory presented by Wert and Zeuer,the diffusion pre-exponential factor of H is calculated to be 1.57×10-7 m2·s-1,and it is quantitatively in agreement with thc experimental value of 4.1×10-7 m2·s-1.Subsequently,according to mass dependence (√1/m) of H isotope effect,the diffusion pre-exponential factors of D and T are estimated to be 1.11x10-7 m2.s-1 and 0.91×10-7 m2.s-1,respectively.

  2. The interfacial and surface properties of thin Fe and Gd films grown on W(110) as studied by scanning tunneling microscopy, site-resolved photoelectron diffraction, and spin polarized photoelectron diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Tober, E.D. [Univ. of California, Davis, CA (US). Office of Graduate Studies

    1997-06-01

    Combined scanning tunneling microscopy (STM) and low energy electron diffraction (LEED) measurements from Gd films grown on W(110) prepared with and without annealing have been used to provide a detailed picture of the growth of such films, permitting a quantitative structural explanation for previously-measured magnetic properties and the identification of a new two-dimensional structure for the first monolayer. The analysis of the film roughness of room-temperature-grown films as a function of coverage and lateral length scale reveals that the growing Gd surface follows scaling laws for a self-affine surface. Annealing these as-deposited films at elevated temperatures is found to drastically alter the morphology of the films, as seen by both STM and LEED. Nanometer-scale islands of relatively well-defined size and shape are observed under certain conditions. Finally, the first monolayer of Gd is observed to form a (7x14) superstructure with pseudo-(7x7) symmetry that is consistent with a minimally-distorted hexagonal two-dimensional Gd(0001) film. Furthermore, a new beamline and photoelectron spectrometer/diffractometer at the Advanced Light Source have been used to obtain full-solid-angle and site-specific photoelectron diffraction (PD) data from interface W atoms just beneath (1x1) Fe and (7x14) Gd monolayers on W(110) by utilizing the core level shift in the W 4f{sub 7/2} spectrum. A comparison of experiment with multiple scattering calculations permits determining the Fe adsorption site and the relative interlayer spacing to the first and second W layers. These Fe results are also compared to those from the very different Gd overlayer and from the clean W(110) surface. Such interface PD measurements show considerable promise for future studies. Finally, the rare-earth ferromagnetic system of Gd(0001) has been examined through the use of spin polarized photoelectron diffraction from the Gd 4s and 5s photoelectron multiplets.

  3. The interfacial and surface properties of thin Fe and Gd films grown on W(110) as studied by scanning tunneling microscopy, site-resolved photoelectron diffraction, and spin polarized photoelectron diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Tober, Eric D. [Univ. of California, Davis, CA (United States)

    1997-06-01

    Combined scanning tunneling microscopy (STM) and low energy electron diffraction (LEED) measurements from Gd films grown on W(110) prepared with and without annealing have been used to provide a detailed picture of the growth of such films, permitting a quantitative structural explanation for previously-measured magnetic properties and the identification of a new two-dimensional structure for the first monolayer. The analysis of the film roughness of room-temperature-grown films as a function of coverage and lateral length scale reveals that the growing Gd surface follows scaling laws for a self-affine surface. Annealing these as-deposited films at elevated temperatures is found to drastically alter the morphology of the films, as seen by both STM and LEED. Nanometer-scale islands of relatively well-defined size and shape are observed under certain conditions. Finally, the first monolayer of Gd is observed to form a (7x14) superstructure with pseudo-(7x7) symmetry that is consistent with a minimally-distorted hexagonal two-dimensional Gd(0001) film. Furthermore, a new beamline and photoelectron spectrometer/diffractometer at the Advanced Light Source have been used to obtain full-solid-angle and site-specific photoelectron diffraction (PD) data from interface W atoms just beneath (1x1) Fe and (7x14) Gd monolayers on W(110) by utilizing the core level shift in the W 4f7/2 spectrum. A comparison of experiment with multiple scattering calculations permits determining the Fe adsorption site and the relative interlayer spacing to the first and second W layers. These Fe results are also compared to those from the very different Gd overlayer and from the clean W(110) surface. Such interface PD measurements show considerable promise for future studies. Finally, the rare-earth ferromagnetic system of Gd(0001) has been examined through the use of spin polarized photoelectron diffraction from the Gd 4s and 5s photoelectron multiplets.

  4. Photoelectron spectroscopy bulk and surface electronic structures

    CERN Document Server

    Suga, Shigemasa

    2014-01-01

    Photoelectron spectroscopy is now becoming more and more required to investigate electronic structures of various solid materials in the bulk, on surfaces as well as at buried interfaces. The energy resolution was much improved in the last decade down to 1 meV in the low photon energy region. Now this technique is available from a few eV up to 10 keV by use of lasers, electron cyclotron resonance lamps in addition to synchrotron radiation and X-ray tubes. High resolution angle resolved photoelectron spectroscopy (ARPES) is now widely applied to band mapping of materials. It attracts a wide attention from both fundamental science and material engineering. Studies of the dynamics of excited states are feasible by time of flight spectroscopy with fully utilizing the pulse structures of synchrotron radiation as well as lasers including the free electron lasers (FEL). Spin resolved studies also made dramatic progress by using higher efficiency spin detectors and two dimensional spin detectors. Polarization depend...

  5. Growth of Al on a W(110) surface

    Energy Technology Data Exchange (ETDEWEB)

    Choi, D.S., E-mail: dschoi@kangwon.ac.kr; Kim, D.H.

    2012-07-01

    Using low energy electron diffraction and low energy ion scattering spectroscopy, we investigated the growth mode of Al on a W(110) surface at room temperature and at 1000 K. We found that Al grew on the W(110) surface in the Frank-van der Merwe mode when the W substrate was kept at room temperature during Al deposition. It was found that at a coverage higher than 2 monolayer (ML) in Al grown at room temperature, Al atoms had a well-ordered face centered cubic (fcc) (111) surface. The [11{sup Macron }0] direction of the Al grown at room temperature on the (111) surface was parallel to the [001] direction of the W(110) substrate surface. When the temperature of the W substrate was kept at 1000 K, the adsorbed Al atoms grew in the Volmer-Weber mode. The 1.5 ML Al/W(110) surface prepared at 1000 K shows two domains of the fcc Al(111) surfaces along with a W(110) surface. We also found that the early stage of Al film growth shows W(110) structure. However as the film becomes thicker (above 3.5-4 layers) the Al face is turned into fcc (111) face. - Highlights: Black-Right-Pointing-Pointer We investigated the growth behavior of Al on the W(110) surface. Black-Right-Pointing-Pointer Al grew in the Frank-van der Merwe mode when the W was kept at room temperature. Black-Right-Pointing-Pointer Al grew in the Volmer-Weber mode when the W was kept at 1000 K. Black-Right-Pointing-Pointer The Al film grown at room temperature has the (111) surface. Black-Right-Pointing-Pointer [11{sup Macron }0] direction on the Al(111) was the same as [001] on the W(110) substrate.

  6. Self-organized growth of highly ordered metal-nanodots on C/W(110)

    Energy Technology Data Exchange (ETDEWEB)

    Gabl, Martin; Deisl, Clemens; Memmel, Norbert; Bertel, Erminald [Institute of Physical Chemistry, University of Innsbruck (Austria)

    2007-07-01

    The growth of Ag nanostructures on W(110) and C/W(110) is studied by LEED and STM. Whereas on clean W(110) and on the R(15 x 3) surface large Ag islands are formed, on the R(15 x 12)-C/W(110) surface the growth of Ag nanodots is observed. The R (15 x 12) carbon structure serves as a stable periodic template with a nanoscale unit mesh of 14 A x 31 A, which is replicated by the Ag nanodots. Most critical for the fabrication of a regular nanostructure array is the perfect preparation of the R(15 x 12)-C/W template. Interestingly, it forms more readily in the interior of large terraces, while small terraces tend to stay free of carbon. This implies a crucial role of steps in the C budget of the surface, most probably due to step-enhanced diffusion of carbon into the bulk. At optimum silver coverage (0.12 ML) the Ag nanodots show a narrow size distribution with most islands consisting of hexagonally shaped 7-atom clusters. However, clusters of this size are also observed at slightly higher silver coverages, if deposition temperatures around 500K are used. In this case excess silver agglomerates on terraces with a locally reduced carbon coverage. This implies that the 7-atom clusters are particularly stable, defining a {sup *}magic island size{sup *}.

  7. Fermi surface and quantum well states of V(110) films on W(110)

    Energy Technology Data Exchange (ETDEWEB)

    Krupin, Oleg [MS 6-2100, Advanced Light Source, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Rotenberg, Eli [MS 6-2100, Advanced Light Source, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Kevan, S D [Department of Physics, University of Oregon, Eugene, OR 97403 (United States)

    2007-09-05

    Using angle-resolved photoemission spectroscopy, we have measured the Fermi surface of V(110) films epitaxially grown on a W(110) substrate. We compare our results for thicker films to existing calculations and measurements for bulk vanadium and find generally very good agreement. For thinner films, we observe and analyse a diverse array of quantum well states that split and distort the Fermi surface segments. We have searched unsuccessfully for a thickness-induced topological transition associated with contact between the zone-centre jungle gym and zone-boundary hole ellipsoid Fermi surface segments. We also find no evidence for ferromagnetic splitting of any bands on this surface.

  8. V 2 O 3 (0001)/Au(111) and /W(110)

    OpenAIRE

    Dupuis, Anne-Claire

    2002-01-01

    Ziel dieser Arbeit war es, die Reaktivität von V2O3(0001) zu untersuchen. In dieser Arbeit wird sich zunächst mit dem epitaktischen Wachstum von V2O3-Filmen auf Au(111)und W(110) befaßt. Stöchiometrie und Geometrie der dünnen Filme wurden mit Röntgenphotoelektronenspektroscopie (XPS), Röntgenabsorptionsspektroskopie (NEXAFS) und Beugung niederenergetischer Elektronen (LEED) charakterisiert. Wir haben gezeigt, dass die Oberfläche zwei Terminierungen aufweist, die sich durch die An- bzw. Abw...

  9. Noble-metal nanostructures on carburized W(110).

    Science.gov (United States)

    Bachmann, Magdalena; Memmel, Norbert; Bertel, Erminald

    2011-07-01

    Noble metal nanostructures of Au, Ag and Cu were prepared on two types of carbon-modified W(110) surfaces-R(15 × 12) and R(15 × 3)-and investigated by means of scanning tunneling microscopy. For all deposited metals qualitatively the same behaviour is observed: On the R(15 × 12)-template always isotropic clusters are formed. In contrast, on the R(15 × 3)-substrate the anisotropy of the nanostructures can be tuned from clusters at low temperatures via thin nanowires to thicker nanobars at high deposition temperatures. At intermediate temperatures on the R(15 × 3) the anisotropic Au nanowires arrange themselves into straight lines along domain boundaries induced by deposition of the Au metal. Similarities and differences to Au nanostructures as recently reported by Varykhalov et al. [A. Varykhalov, O. Rader, W. Gudat. Physical Review B 77, 035412 (2008).] are discussed.

  10. Hard X-ray photoelectron spectroscopy of bulk and thin films of Heusler compounds

    Energy Technology Data Exchange (ETDEWEB)

    Kozina, Xeniya

    2012-03-26

    X-ray photoemission spectroscopy (XPS) is one of the most universal and powerful tools for investigation of chemical states and electronic structures of materials. The application of hard X-rays increases the inelastic mean free path of the emitted electrons within the solid and thus makes hard X-ray photoelectron spectroscopy (HAXPES) a bulk sensitive probe for solid state research and especially a very effective nondestructive technique to study buried layers. This thesis focuses on the investigation of multilayer structures, used in magnetic tunnel junctions (MTJs), by a number of techniques applying HAXPES. MTJs are the most important components of novel nanoscale devices employed in spintronics. The investigation and deep understanding of the mechanisms responsible for the high performance of such devices and properties of employed magnetic materials that are, in turn, defined by their electronic structure becomes feasible applying HAXPES. Thus the process of B diffusion in CoFeB-based MTJs was investigated with respect to the annealing temperature and its influence on the changes in the electronic structure of CoFeB electrodes that clarify the behaviour and huge TMR ratio values obtained in such devices. These results are presented in chapter 6. The results of investigation of the changes in the valence states of buried off-stoichiometric Co{sub 2}MnSi electrodes were investigated with respect to the Mn content {alpha} and its influence on the observed TMR ratio are described in chapter 7. Magnetoelectronic properties such as exchange splitting in ferromagnetic materials as well as the macroscopic magnetic ordering can be studied by magnetic circular dichroism in photoemission (MCDAD). It is characterized by the appearance of an asymmetry in the photoemission spectra taken either from the magnetized sample with the reversal of the photon helicity or by reversal of magnetization direction of the sample when the photon helicity direction is fixed. Though

  11. Spin spirals with unique rotational sense in magnetic thin films: Cr on W(110)

    Energy Technology Data Exchange (ETDEWEB)

    Zimmermann, Bernd; Bihlmayer, Gustav; Bluegel, Stefan [Institut fuer Festkoerperforschung (IFF) und Institute for Advanced Simulation (IAS), Forschungszentrum Juelich (Germany); Heide, Marcus [Institut fuer Festkoerperforschung (IFF) und Institute for Advanced Simulation (IAS), Forschungszentrum Juelich (Germany); Department of Precision Engineering, Osaka University (Japan)

    2010-07-01

    Recently for a Mn monolayer on W(110) a new and unexpected magnetic phase was discovered which exhibits a left rotational sense of the magnetization. The origin was explained by the presence of Dzyaloshinskii-Moriya Interaction (DMI) caused by the spin orbit coupling in a symmetry-broken environment of the surface. In this work we present investigations on the magnetic structure of a single Cr layer on W(110) by means of density functional theory (DFT). We perform spin-spiral calculations including SOC and find that the DMI is strong enough to compete with the symmetric exchange interaction to create a spiraling magnetic structure with unique rotational sense. A layer-resolved analysis shows, that the main contribution to the DMI comes from the W interface atoms. Using a micromagnetic model, we determine how far the spin spiral deviates from a perfectly homogeneous solution. We compare our results to the systems Mn/W(110) and Fe/W(110), where the direction of the spin spiral and the period length are different.

  12. Effects of quenched impurities on surface diffusion, spreading, and ordering of O/W(110)

    DEFF Research Database (Denmark)

    Nikunen, P.; Vattulainen, Ilpo Tapio; Ala-Nissila, T.

    2002-01-01

    We study how quenched impurities affect the surface diffusion and ordering of strongly interacting adsorbate atoms on surfaces. To this end, we carry out Monte Carlo simulations for a lattice-gas model of O/W(110), including small concentrations of immobile impurities which block their adsorption...

  13. Comprehensive photoelectron spectroscopic study of anionic clusters of anthracene and its alkyl derivatives: Electronic structures bridging molecules to bulk

    Science.gov (United States)

    Ando, Naoto; Mitsui, Masaaki; Nakajima, Atsushi

    2007-12-01

    The evolution of the electronic structure of molecular aggregates is investigated using anion photoelectron (PE) spectroscopy for anionic clusters of anthracene (Ac) and its alkyl derivatives: 1-methylanthracene (1MA), 2-methylanthracene (2MA), 9-methylanthracene (9MA), 9,10-dimethylanthracene (DMA), and 2-tert-butylanthracene (2TBA). For their monomer anions (n=1), electron affinities are confined to the range from 0.47to0.59eV and are well reproduced by density functional theory calculations, showing the isoelectronic character of these molecules. For cluster anions (n=2-100) of Ac and 2MA, two types of isomers I and II coexist over a wide size range: isomers I and II-1 (4⩽nVDEs) of isomer I in all the anionic clusters depend almost linearly on n-1/3. In contrast, the VDEs of isomers II-1 (n⩾14) and II-2 (n=40-100), appeared only in Ac and 2MA cluster anions, remain constant with n and are ˜0.5eV lower than those of isomer I. The PE spectra revealed the characteristics of each isomer: isomer I possesses a monomeric anion core that is gradually embedded into the interior of the cluster with increasing n. On the other hand, isomers II-1 and II-2 possess a multimeric (perhaps tetrameric) anion core, but they differ in the number of layers from which they are made up; monolayer (isomer II-1) and multilayers (isomer II-2) of a two-dimensionally ordered, finite herringbone-type structure, in which electron attachment produces only little geometrical rearrangement. Moreover, the agreement of the constant VDEs of isomer II-2 with the bulk data demonstrates the largely localized nature of the electronic polarization around the excess charge in a crystal-like environment, where about 50molecules provide a charge stabilization energy comparable to the bulk.

  14. UV-Raman spectroscopy, X-ray photoelectron spectroscopy, and temperature programmed desorption studies of model and bulk heterogeneous catalysts

    Energy Technology Data Exchange (ETDEWEB)

    Tewell, Craig R.

    2002-08-19

    X-ray photoelectron spectroscopy (XPS) and Temperature Programmed Desorption (TPD) have been used to investigate the surface structure of model heterogeneous catalysts in ultra-high vacuum (UHV). UV-Raman spectroscopy has been used to probe the structure of bulk model catalysts in ambient and reaction conditions. The structural information obtained through UV-Raman spectroscopy has been correlated with both the UHV surface analysis and reaction results. The present day propylene and ethylene polymerization catalysts (Ziegler-Natta catalysts) are prepared by deposition of TiCl{sub 4} and a Al(Et){sub 3} co-catalyst on a microporous Mg-ethoxide support that is prepared from MgCl{sub 2} and ethanol. A model thin film catalyst is prepared by depositing metallic Mg on a Au foil in a UHV chamber in a background of TiCl{sub 4} in the gas phase. XPS results indicate that the Mg is completely oxidized to MgCl{sub 2} by TiCl{sub 4} resulting in a thin film of MgCl{sub 2}/TiCl{sub x}, where x = 2, 3, and 4. To prepare an active catalyst, the thin film of MgCl{sub 2}/TiCl{sub x} on Au foil is enclosed in a high pressure cell contained within the UHV chamber and exposed to {approx}1 Torr of Al(Et){sub 3}.

  15. UV-Raman spectroscopy, X-ray photoelectron spectroscopy, and temperature programmed desorption studies of model and bulk heterogeneous catalysts

    Energy Technology Data Exchange (ETDEWEB)

    Tewell, Craig Richmond [Univ. of California, Berkeley, CA (United States)

    2002-01-01

    X-ray photoelectron spectroscopy (XPS) and Temperature Programmed Desorption (TPD) have been used to investigate the surface structure of model heterogeneous catalysts in ultra-high vacuum (UHV). UV-Raman spectroscopy has been used to probe the structure of bulk model catalysts in ambient and reaction conditions. The structural information obtained through UV-Raman spectroscopy has been correlated with both the UHV surface analysis and reaction results. The present day propylene and ethylene polymerization catalysts (Ziegler-Natta catalysts) are prepared by deposition of TiCl4 and a Al(Et)3 co-catalyst on a microporous Mg-ethoxide support that is prepared from MgCl2 and ethanol. A model thin film catalyst is prepared by depositing metallic Mg on a Au foil in a UHV chamber in a background of TiCl4 in the gas phase. XPS results indicate that the Mg is completely oxidized to MgCl2 by TiCl4 resulting in a thin film of MgCl2/TiClx, where x = 2, 3, and 4. To prepare an active catalyst, the thin film of MgCl2/TiClx on Au foil is enclosed in a high pressure cell contained within the UHV chamber and exposed to ~1 Torr of Al(Et)3.

  16. Hard X-ray PhotoElectron Spectroscopy of transition metal oxides: Bulk compounds and device-ready metal-oxide interfaces

    Energy Technology Data Exchange (ETDEWEB)

    Borgatti, F., E-mail: francesco.borgatti@cnr.it [Istituto per lo Studio dei Materiali Nanostrutturati (ISMN), Consiglio Nazionale delle Ricerche (CNR), via P. Gobetti 101, Bologna I-40129 (Italy); Torelli, P.; Panaccione, G. [Istituto Officina dei Materiali (IOM)-CNR, Laboratorio TASC, Area Science Park, Trieste I-34149 (Italy)

    2016-04-15

    Highlights: • Hard X-ray PhotoElectron Spectroscopy (HAXPES) applied to buried interfaces of systems involving Transition Metal Oxides. • Enhanced contribution of the s states at high kinetic energies both for valence and core level spectra. • Sensitivity to chemical changes promoted by electric field across metal-oxide interfaces in resistive switching devices. - Abstract: Photoelectron spectroscopy is one of the most powerful tool to unravel the electronic structure of strongly correlated materials also thanks to the extremely large dynamic range in energy, coupled to high energy resolution that this form of spectroscopy covers. The kinetic energy range typically used for photoelectron experiments corresponds often to a strong surface sensitivity, and this turns out to be a disadvantage for the study of transition metal oxides, systems where structural and electronic reconstruction, different oxidation state, and electronic correlation may significantly vary at the surface. We report here selected Hard X-ray PhotoElectron Spectroscopy (HAXPES) results from transition metal oxides, and from buried interfaces, where we highlight some of the important features that such bulk sensitive technique brings in the analysis of electronic properties of the solids.

  17. Magnetic Properties of fe Deposited on W(110) Surface: Effects of O Contamination and O2 Adsorption

    Science.gov (United States)

    Malonda-Boungou, B. R.; Okana-Lomanga, A. L.; Moussounda, P. S.; M'Passi-Mabiala, B.; Demangeat, C.

    2017-06-01

    We have investigated the adsorption sites and the electronic structure correlated with the magnetic properties of ultrathin Fe films on W(110) system using spin-polarized calculations within the density-functional approach with generalized gradient approximation by the pseudopotential plane-wave code. For one Fe monolayer (ML) on W(110) system the Fe atoms prefer to bind on the bridge adsorption sites of the W(110) surface, with an inward relaxation of -12.68%. The top and diagonal bridge sites investigated are energetically less favorable. We have shown that intermixing between Fe and W is unlikely: the surface ordered Fe-W alloy is unstable against the 1-ML Fe on W(110). While the control of oxygen element is known to be an important key to a perfect growth of Fe on W(110), its possible contamination is checked. Performing spin polarized calculations with the optimized geometry, the induced magnetic moments on W subsurface are obtained: the W atoms are always antiferromagnetically coupled to the Fe atoms, one exception being the case of the antiferromagnetic Fe surface where, due to frustration, the induced polarization on the W atoms is zero. The bridge site is the lower adsorption energy one for O2 molecular bonding perpendicular to the surface. In the case of O2 bonding parallel and oblique to the surface, it is always dissociated into two O atoms on Fe/W(110) surface through geometry optimization, for all considered sites.

  18. Adsorption of precious and coinage metals on Rh (111), Ru (0001) and W (110) surfaces

    Science.gov (United States)

    Zhu, Quanxi; Wang, Shao-qing

    2017-07-01

    Bimetallic surface alloys have been considered as an effective strategy to achieve better catalytic performance and to modify the work function of the substrate toward metal-gate electrode application. We perform a systematical investigation of Group 10 and Group 11 transition metals adsorption on Rh (111), Ru (0001) and W (110) surfaces with various coverages using first-principles method. Through comparing the Bader charge results and the plots of work function shift, it is found that the polarization effect plays an important role in modification of the bimetallic surface work functions rather than the charge transfer effect especially at low coverages. The coverage-dependent work function behavior gives a general feature: as it has a large negative shift at 0.25ML coverage, then increases almost linearly with the coverage and followed by a saturation value which is controlled by the lattice strain. It is also found that the metal over-layer growth modes are correlated with the specific features of the coverage-dependent metal-substrate adhesion energy. All these findings may give some guidelines for the bimetallic catalysts design in terms of growth, stability and activity.

  19. Structural analysis of ultra-thin Pd films on W(110)

    Science.gov (United States)

    Kemmer, Jeannette; Bode, Matthias

    2017-03-01

    We report on a scanning tunneling microscopy (STM) growth study of ultra-thin Pd films on W(110) in the thickness range up to about three atomic layers. At a substrate temperature of (573 ± 20)K during deposition the initial growth at submonolayer coverages takes place in the step-flow mode, whereby the Pd step edges are preferentially oriented along directions leading to a pronounced saw-tooth-like appearance. It is found that the Pd monolayer is not smooth but instead exhibits a one-dimensional pattern consisting of alternating straight and zigzag lines along the [ 001 ] direction with a periodicity of (7.3 ± 0.5) nm. Atomic resolution STM images reveal that these stripes mark transition regions between two different three-fold-coordinated adsorption sites, i.e. left (L) or right (R) triangular. A structural model is presented which explains the straight and zigzag lines as vacancy rows and Pd grown in the Kurdjumov-Sachs configuration, respectively. In a transition regime between 0.93 AL-1.03 AL the one-dimensional character converts into triangularly shaped L and R domains up to 100 nm in size which are separated by short straight segments approximatelly oriented along and [001] directions. Growth of the second Pd layer occurs via the nucleation of hexagonal islands and at Pd coverages beyond 2 AL the growth mode changes from layer-by-layer to island growth, probably due to the structural transition from the bcc to the fcc crystal structure.

  20. Hard X-ray photoelectron spectra (HXPES) of bulk non-conductor vitreous SiO{sub 2}: Minimum linewidths and surface chemical shifts

    Energy Technology Data Exchange (ETDEWEB)

    Hu, Y.F., E-mail: Yongfeng.hu@lightsource.ca [Canadian Light Source, Saskatoon, SK (Canada); Xiao, Q.; Wang, D.; Cui, X. [Canadian Light Source, Saskatoon, SK (Canada); Nesbitt, H.W. [Department of Earth Sciences, University of Western Ontario, London, ONT (Canada); Bancroft, G.M. [Department of Chemistry, University of Western Ontario, London, ONT (Canada)

    2015-07-15

    Highlights: • Electronic structure of non-conducting glass studied by hard X-ray photoelectron spectroscopy. • A thin film of Cr was deposited on the vitreous SiO{sub 2} glass to overcome the sample charging. • Excellent O 1s and Si 1s linewidths were obtained, matching those reported using the laboratory based Kratos Axis Ultra spectrometer equipped with a magnetic compensation system. • The bulk and interface states of non-conducting samples are studied as a function of photon energy. - Abstract: Hard X-ray photoelectron spectra (2200 eV to 5000 eV photon energies) have been obtained for the first time on a bulk non-conductor, vitreous SiO{sub 2}, on a high resolution (E/ΔE of 10,000) synchrotron beamline at the Canadian Light Source (CLS). To minimize charging and differential charging, the SiO{sub 2} was coated with very thin layers (0.5 to 1.5 nm) of Cr metal. The O 1s linewidth obtained at 2500 eV photon energy was 1.26 eV—the minimum linewidth for SiO{sub 2}—and in good agreement with that obtained at 1486 eV on a Kratos Axis Ultra spectrometer equipped with a magnetic charge compensation system. The Si 1s linewidth of 1.5 eV, somewhat broader than that previously obtained at 1486 eV on the Si 2p{sub 3/2} line of 1.16 eV, is mainly due to the much larger inherent Si 1s linewidth (0.5 eV) compared to the inherent Si 2p linewidth (<0.1 eV). Both linewidths are dominated by the large final state vibrational broadening previously described. The Cr coating produces surface monolayers of interfacial Cr “suboxide” (Cr-subox), Cr metal, and a surface Cr oxide (Cr-surfox). Cr-subox (Si−O−Cr) gives rise to the weak near-surface Si 1s peak, while both oxides give rise to both the weak surface O 1s peak and the Cr 2p oxide peak. Both the O 1s and Si 1s surface peaks are shifted by ∼2 eV relative to the large bulk Si 1s and O 1s peaks. The weak Si 1s and O 1s surface peaks along with the Cr 2p oxide peak decrease in intensity greatly as the photon

  1. A 1.6-kW, 110-kHz dc-dc converter optimized for IGBT's

    Science.gov (United States)

    Chen, Keming; Stuart, Thomas A.

    1993-01-01

    A full bridge dc-dc converter using a zero-current and zero-voltage switching technique is described. This circuit utilizes the characteristics of the IGBT to achieve power and frequency combinations that are much higher than previously reported for this device. Experimental results are included for a 1.6-kW, 110-kHz converter with 95 percent efficiency.

  2. Atomic layer deposition of diisopropylaminosilane on WO3(001) and W(110): a density functional theory study.

    Science.gov (United States)

    Lee, Kyungtae; Lee, Woojin; Lee, Hyo Sug; Shin, Jaikwang; Park, Jieun; Lee, Seongsuk; Choi, Samjong; Kim, Sueryeon; Kim, Jinseong; Shim, Youngseon

    2016-10-26

    The decomposition reactions of the Si precursor, diisopropylaminosilane (DIPAS), on W(110) and hydroxylated WO3(001) surfaces are investigated to elucidate the initial reaction mechanism of the atomic layer deposition (ALD) process using density functional theory (DFT) calculations combined with ab initio molecular dynamics (AIMD) simulations. The decomposition reaction of DIPAS on WO3(001) consists of two steps: Si-N dissociative chemisorption and decomposition of SiH3*. It is found that the Si-N bond cleavage of DIPAS is facile on WO3(001) due to hydrogen bonding between the surface OH group and the N atom of DIPAS. The rate-determining step of DIPAS decomposition on WO3(001) is found to be the Si-H dissociation reaction of the SiH3* reaction intermediate which has an activation barrier of 1.19 eV. On the contrary, sequential Si-H dissociation reactions first occur on W(110) and then the Si-N dissociation reaction of the C5H7NSi* reaction intermediate is found to be the rate-determining step, which has an activation barrier of 1.06 eV. As a result, the final products in the DIPAS decomposition reaction on WO3(001) are Si* and SiH*, whereas Si* atoms remain with carbon impurities on W(110), which imply that the hydroxylated WO3 surface is more efficient for the ALD process.

  3. Growth and magnetic anisotropy of thin W(110)/Co films on Al2O3(112¯0)

    Science.gov (United States)

    Sellmann, R.; Fritzsche, H.; Maletta, H.; Leiner, V.; Siebrecht, R.

    2001-06-01

    The growth and magnetism of thin W(110)/Co films deposited by molecular beam epitaxy on single-crystal sapphire Al2O3(112¯0) substrates is investigated. Low-energy electron diffraction analysis shows that the Co films grow on the epitaxial W(110) substrate layer with a constant lattice strain up to a Co thickness dCo=20 Å. Pseudomorphic growth is found for the W[11¯0] direction. The thickness-dependent magnetic anisotropy is studied in situ at T=300 K by means of magneto-optical Kerr-effect measurements on a Co wedge-shaped sample prior and after coverage with a Au overlayer. After the coverage the Co wedge reveals a perpendicular magnetic anisotropy for small Co film thickness followed by a spin-reorientation transition from out-of-plane to in-plane alignment of the magnetization vector in the thickness regime 7 Å<=dCo<=9 Å. Spin-dependent neutron reflectivity data provide evidence for a pronounced magnetic anisotropy within the film plane even for relatively thick Co films. The observed decrease of the splitting between spin-up and spin-down reflectivities for decreasing temperature indicates that the spin-reorientation transition of the system W(110)/Co/Au can also be induced thermally.

  4. A photoemission study of BaO overlayers adsorbed on W(110) and their interaction with H 2O, CO 2, and O 2

    Science.gov (United States)

    Mueller, D. R.; Kurtz, R. L.; Stockbauer, R. L.; Madey, T. E.; Shih, Arnold

    1990-11-01

    The electronic structure of barium oxide overlayers on W(110) and their interaction with H 2O, CO 2 and O 2 has been examined using ultraviolet photo electron spectroscopy. At room temperature water vapor and carbon dioxide react with a c(5 × 1)-BaO monolayer adsorbed on W(110) to produce adsorbed OH and CO 3 species. Heating the W(110)-c(5 × 1)-BaO surface following water or carbon dioxide exposure dissociates the adsorbed hydroxide or carbonate. On the lower coverage c(7 × 1)-BaO and c(2 × 4)-BaO adlayers complete dissociation of a fraction of the adsorbed species is evident at room temperature. The interaction of oxygen with W(110) is enhanced by the presence of barium oxide on the tungsten surface. These results are compared with the findings of a previous study of barium oxide films adsorbed on W(100).

  5. Magnetism of epitaxial Tb films on W(110) studied by spin-polarized low-energy electron microscopy

    Science.gov (United States)

    Prieto, J. E.; Chen, Gong; Schmid, A. K.; de la Figuera, J.

    2016-11-01

    Thin epitaxial films of Tb metal were grown on a clean W(110) substrate in ultrahigh vacuum and studied in situ by low-energy electron microscopy. Annealed films present magnetic contrast in spin-polarized low-energy electron microscopy. The energy dependence of the electron reflectivity was determined and a maximum value of its spin asymmetry of about 1% was measured. The magnetization direction of the Tb films is in-plane. Upon raising the temperature, no change in the domain distribution is observed, while the asymmetry in the electron reflectivity decreases when approaching the critical temperature, following a power law ˜(1-T /TC) β with a critical exponent β of 0.39.

  6. Characterisation of PEGylated PLGA nanoparticles comparing the nanoparticle bulk to the particle surface using UV/vis spectroscopy, SEC, {sup 1}H NMR spectroscopy, and X-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Spek, S.; Haeuser, M. [Institute of Pharmaceutical Technology and Biopharmacy, University of Muenster, Corrensstrasse 48, 48149 Muenster (Germany); Schaefer, M.M. [nanoAnalytics, Heisenbergstrasse 11, 48149 Muenster (Germany); Langer, K., E-mail: k.langer@wwu.de [Institute of Pharmaceutical Technology and Biopharmacy, University of Muenster, Corrensstrasse 48, 48149 Muenster (Germany)

    2015-08-30

    Graphical abstract: - Highlights: • We compared nanoparticles prepared on the basis of PLGA and PEG–PLGA for their polymeric composition in the particle bulk and on the surface. • We validated three analytical methods (UV/vis, SEC, {sup 1}H NMR) for quantification of the polymeric stabiliser PVA and {sup 1}H NMR for the quantification of PEG. • In the case of PEG–PLGA as starting material we observed significant PEG contents not only on the surface but even in the particle bulk. • We observed an unexpected accumulation of the polymeric stabiliser PVA on PEGylated particle surfaces. - Abstract: Hypothesis: The bulk and the surface structure of nanoparticles based on poly(lactic-co-glycolic acid) (PLGA) and PLGA–PEG copolymer is expected to consist of different polymer compositions. An enrichment of hydrophilic PEG on the surface in combination with an accumulation of PLGA in the bulk is anticipated. Hence, the imbalance between bulk and surface composition should be detectable by suitable analytical methods. Experiments: Nanoparticles were assembled using an emulsion-evaporation method with polyvinyl alcohol (PVA) as stabiliser. Mixtures of PLGA and PLGA–PEG copolymer were applied to achieve variably PEGylated nanoparticles. The nanoparticle composition was analysed with respect to PLGA, PVA and PEG, comparing the polymer content of the nanoparticle bulk to the surface. For the bulk, PVA was quantified by a UV/vis spectroscopic method as well as size exclusion chromatography (SEC), and {sup 1}H nuclear magnetic resonance (NMR) spectroscopy. PEG determination of the bulk was carried out using quantitative {sup 1}H NMR spectroscopy. Surface composition was investigated by X-ray photoelectron spectroscopy (XPS). Findings: For the characterisation of the polymer composition {sup 1}H NMR, SEC, and XPS-methods were successfully established and validated. Unexpectedly, a significant PEG content was detected within the particle bulk. The comparison of

  7. Spin polarized low energy electron microscopy of quantum well resonances in Fe films on the Cu-covered W(110) surface.

    Science.gov (United States)

    Wu, Qiang; Altman, M S

    2013-07-01

    Spin polarized low energy electron microscopy has been used to investigate the quantum size effect (QSE) in electron reflectivity from Fe films grown on a pseudomorphic Cu layer on a W(110) surface. Intensity oscillations caused by the QSE as functions of Fe film thickness and incident electron energy identify quantum well resonance conditions in the film. Evaluation of these intensity oscillations using the phase accumulation model provides information on the unoccupied spin polarized band structure in the Fe film above the vacuum level. We also find evidence that the presence of the non-magnetic Cu layer shifts spin polarized quantum well resonances in the Fe layer uniformly downward in energy by 1.1eV compared to Fe/W(110) films without an interface Cu layer, suggesting that the Cu layer gives a small degree of control over the quantum well resonances.

  8. Growth and magnetic anisotropy of thin W(110)/Co films on Al{sub 2}O{sub 3}(11{bar 2}0)

    Energy Technology Data Exchange (ETDEWEB)

    Sellmann, R.; Fritzsche, H.; Maletta, H.; Leiner, V.; Siebrecht, R.

    2001-06-01

    The growth and magnetism of thin W(110)/Co films deposited by molecular beam epitaxy on single-crystal sapphire Al{sub 2}O{sub 3}(11{bar 2}0) substrates is investigated. Low-energy electron diffraction analysis shows that the Co films grow on the epitaxial W(110) substrate layer with a constant lattice strain up to a Co thickness d{sub Co}=20Aa. Pseudomorphic growth is found for the W[1{bar 1}0] direction. The thickness-dependent magnetic anisotropy is studied in situ at T=300K by means of magneto-optical Kerr-effect measurements on a Co wedge-shaped sample prior and after coverage with a Au overlayer. After the coverage the Co wedge reveals a perpendicular magnetic anisotropy for small Co film thickness followed by a spin-reorientation transition from out-of-plane to in-plane alignment of the magnetization vector in the thickness regime 7Aa{le}d{sub Co}{le}9Aa. Spin-dependent neutron reflectivity data provide evidence for a pronounced magnetic anisotropy within the film plane even for relatively thick Co films. The observed decrease of the splitting between spin-up and spin-down reflectivities for decreasing temperature indicates that the spin-reorientation transition of the system W(110)/Co/Au can also be induced thermally.

  9. Hunting liquid micro-pockets in snow and ice: Phase transition in salt solutions at the bulk and interface with X-ray photoelectron spectroscopy.

    Science.gov (United States)

    Bartels-Rausch, Thorsten; Orlando, Fabrizio; Kong, Xiangrui; Waldner, Astrid; Artiglia, Luca; Ammann, Markus; Huthwelker, Thomas

    2016-04-01

    Sea salt, and in particular chloride, is an important reactant in the atmosphere. Chloride in air-borne sea salt aerosol is - once chemically converted to a molecular halogen (Cl2, BrCl) and released to the atmosphere - well known as important atmospheric reactant, driving large-scale changes to the atmospheric composition and in particular to ozone levels in remote areas, but also in coastal mega cities. Similar chemistry has been proposed for sea salt deposits in polar snow covers. A crucial factor determining the overall reactivity is the local physical environment of the chloride ion. For example, the reactivity of liquid aerosols decreases significantly upon crystallization. Surprisingly, the phases of NaCl-containing systems are still under debate, partially due to the limited availability of in situ measurements directly probing the local environment at the surface of frozen NaCl-water binary systems. Using core electron spectroscopy of the oxygen atoms in water, we previously showed that these systems follow the phase rules at the air-ice interface. This finding contrasts some earlier observations, where the presence of liquid below the eutectic point of bulk solutions was postulated. In the present study, we present new electron yield near-edge X-ray absorption fine structure spectroscopy (NEXAFS) data obtained at near-ambient pressures up to 20 mbar of NaCl frozen solutions. The method is sensitive to small changes in the local environment of the chlorine atom. The measurements were performed at the PHOENIX beamline at SLS. The study indicates frapant differences in the phases of NaCl - water mixtures at temperatures blow the freezing point for the surface of the ice vs. the bulk. This has significant impact on modelling chemical reactions in snow or ice and it's environmental consequences.

  10. Radiosynthesis and preliminary evaluation of Z.W.-90 and Z.W.-110, two novel acetylenic pyridines for imaging the nicotinic receptors

    Energy Technology Data Exchange (ETDEWEB)

    Kassiou, M.; Giboureau, N. [Sydney Univ., Brain and Mind Research Institute, NSW (Australia); Chellapan, S.; Wei, Z.L.; Kozikowski, A. [Illinois Univ., Chicago, Dept. of Medicinal Chemistry and Pharmacognosy, IL (United States); Henderson, D.; Fulton, R. [RPAH Sydney, Dept. PET and Nuclear Medicine (Australia); Xiao, Y.; Kellar, K. [Georgetown Univ., Dept. of Pharmacology, School of Medicine, Washington, DC (United States); Guilloteau, D.; Emond, P. [Institut National de la Sante et de la Recherche Medicale (INSERM), U619, 37 - Tours (France); Dolle, F. [Service Hospitalier Frederic Joliot, CEA/DSV, Institut d' Imagerie BioMedicale, 91 - Orsay (France)

    2008-02-15

    Central nicotinic acetylcholine receptors (n.A.Ch.R.s) have been implicated in learning memory processes and neuro-psychiatric disorders. Recently it was reported that the introduction of a substituted alkynyl group into the C-5 position of the pyridinyl ring of A-84543, significantly increased the selectivity for the n.A.Ch.R. containing {beta}{sub 2} subunits over {beta}{sub 4} subunits. Two selected candidates, Z.W.-90 and Z.W.-110 were labelled with carbon{sup 11} and evaluated in vivo.{sup 11}C Z.W.-90 penetrated rapidly into the brain, with maximum uptake in the thalamus and cerebellum 2 min post injection followed by clearance. The washout from cerebellum was faster than from thalamus, suggesting that specific binding can be optimally measured at 20 min post injection; Pretreatment of the baboon with nicotine resulted in markedly decreased uptake of the radioligand. {sup 11}C Z.W.-110 also penetrated rapidly into the brain, with a high evident uptake in the thalamus within 5 min. Surprisingly there was also considerable uptake in the striatum. Pretreatment with nicotine resulted in inhibition of uptake of 8 and 1%, in the thalamus and cerebellum, respectively. In pretreatment studies using unlabelled Z.W.-110, 32% inhibition of radioligand uptake was observed in the thalamus and striatum while uptake in the cerebellum was reduced by 24 %.While further work will be necessary in the development of optimal imaging agents for n.A.Ch.Rs, efforts will be made to examine the potential of these newly developed radioligands to serve diagnostic agents in the early detection of neurological disorders. (N.C.)

  11. Photoelectron Microscopy

    Science.gov (United States)

    King, Paul Lawrence

    1992-01-01

    This thesis describes the theory and first operations of a novel synchrotron-based imaging system allowing photoemission spectroscopy (XPS or ESCA) to be performed at lateral resolutions better than 10 microns. Originally developed in David Turner's group at Oxford, the MicroESCA^ {rm TM} relies on the diverging magnetic field from a 7 Tesla superconducting solenoid to project photoemitted electrons from a sample to an imaging detector located 1.5 meters away. The diverging magnetic field converts off-axis momentum to forward momentum and electrons form a magnified image at the detector while moving nearly parallel to one another. Because of this "parallelization", a planar gridded retarding field analyzer achieves excellent energy resolution with only minor impact on image quality. The thesis begins with an overview of the various techniques by which high lateral resolution photoelectron spectroscopy can be achieved. This is followed by a theoretical treatment of magnetic projection leading to predictions of lateral and energy resolution. Chapter 3 documents resolution tests and known deviations from ideality. Image forming capabilities and energy resolution of the retarding field analyzer are demonstrated at near-theoretical limits. Practical limitations of the microscope are recognized in the form of poor signal to noise ratios of core level images which originate from a combination of the narrow dynamic range of the imaging detector and the large backgrounds inherent in retarding field spectroscopy of solids. Chapter 4 describes an interactive image processing and interpretation scheme that relies on scatter plots and principal component analysis to reduce the dimensionality of retarding field image sets and improve image signal to noise. This procedure is generally applicable to all imaging spectroscopies and an example from SEM-based energy dispersive spectroscopy (EDS) is included. In a final results section, variations in the surface Fermi levels on cleaved

  12. Dynamics of H{sub 2} Eley-Rideal abstraction from W(110): Sensitivity to the representation of the molecule-surface potential

    Energy Technology Data Exchange (ETDEWEB)

    Pétuya, R., E-mail: r.petuya@ism.u-bordeaux1.fr; Larrégaray, P.; Crespos, C. [Université de Bordeaux, ISM, CNRS UMR 5255, 33405 Talence Cedex (France); CNRS, ISM, UMR5255, F-33400 Talence (France); Busnengo, H. F.; Martínez, A. E. [Instituto de Física Rosario (IFIR) CONICET-UNR. Ocampo y Esmeralda (2000) Rosario (Argentina)

    2014-07-14

    Dynamics of the Eley-Rideal (ER) abstraction of H{sub 2} from W(110) is analyzed by means of quasi-classical trajectory calculations. Simulations are based on two different molecule-surface potential energy surfaces (PES) constructed from Density Functional Theory results. One PES is obtained by fitting, using a Flexible Periodic London-Eyring-Polanyi-Sato (FPLEPS) functional form, and the other by interpolation through the corrugation reducing procedure (CRP). Then, the present study allows us to elucidate the ER dynamics sensitivity on the PES representation. Despite some sizable discrepancies between both H+H/W(110) PESs, the obtained projectile-energy dependence of the total ER cross sections are qualitatively very similar ensuring that the main physical ingredients are captured in both PES models. The obtained distributions of the final energy among the different molecular degrees of freedom barely depend on the PES model, being most likely determined by the reaction exothermicity. Therefore, a reasonably good agreement with the measured final vibrational state distribution is observed in spite of the pressure and material gaps between theoretical and experimental conditions.

  13. Influence of the van der Waals interaction in the dissociation dynamics of N{sub 2} on W(110) from first principles

    Energy Technology Data Exchange (ETDEWEB)

    Martin-Gondre, L. [Institut UTINAM-CNRS UMR 6213, Université de Franche-Comté, 16 Route de Gray, 25030 Besançon Cedex (France); Donostia International Physics Center (DIPC), Paseo Manuel de Lardizabal 4, 20018 Donostia-San Sebastián (Spain); Juaristi, J. I. [Departamento de Física de Materiales, Facultad de Químicas (UPV/EHU), Apartado 1072, 20080 Donostia-San Sebastián (Spain); Centro de Física de Materiales CFM/MPC (CSIC-UPV/EHU), Paseo Manuel de Lardizabal 5, 20018 Donostia-San Sebastián (Spain); Donostia International Physics Center (DIPC), Paseo Manuel de Lardizabal 4, 20018 Donostia-San Sebastián (Spain); Blanco-Rey, M. [Departamento de Física de Materiales, Facultad de Químicas (UPV/EHU), Apartado 1072, 20080 Donostia-San Sebastián (Spain); Donostia International Physics Center (DIPC), Paseo Manuel de Lardizabal 4, 20018 Donostia-San Sebastián (Spain); Díez Muiño, R.; Alducin, M. [Centro de Física de Materiales CFM/MPC (CSIC-UPV/EHU), Paseo Manuel de Lardizabal 5, 20018 Donostia-San Sebastián (Spain); Donostia International Physics Center (DIPC), Paseo Manuel de Lardizabal 4, 20018 Donostia-San Sebastián (Spain)

    2015-02-21

    Using ab initio molecular dynamics (AIMD) calculations, we investigate the role of the van der Waals (vdW) interaction in the dissociative adsorption of N{sub 2} on W(110). Hitherto, existing classical dynamics calculations performed on six-dimensional potential energy surfaces based on density functional theory (DFT), and the semi-local PW91 and RPBE [Hammer et al. Phys. Rev. B 59, 7413 (1999)] exchange-correlation functionals were unable to fully describe the dependence of the initial sticking coefficient on the molecular beam incidence conditions as found in experiments. N{sub 2} dissociation on W(110) was shown to be very sensitive not only to short molecule-surface distances but also to large distances where the vdW interaction, not included in semilocal-DFT, should dominate. In this work, we perform a systematic study on the dissociative adsorption using a selection of existing non-local functionals that include the vdW interaction (vdW-functionals). Clearly, the inclusion of the non-local correlation term contributes in all cases to correct the unrealistic energy barriers that were identified in the RPBE at large molecule-surface distances. Among the tested vdW-functionals, the original vdW-DF by Dion et al. [Phys. Rev. Lett. 92, 246401 (2004)] and the ulterior vdW-DF2 give also an adequate description of the N{sub 2} adsorption energy and energy barrier at the transition state, i.e., of the properties that are commonly used to verify the quality of any exchange-correlation functional. However, the results of our AIMD calculations, which are performed at different incidence conditions and hence extensively probe the multi-configurational potential energy surface of the system, do not seem as satisfactory as the preliminary static analysis suggested. When comparing the obtained dissociation probabilities with existing experimental data, none of the used vdW-functionals seems to provide altogether an adequate description of the N{sub 2}/W(110) interaction at

  14. Two-dimensional percolation transition at finite temperature: Phase boundary for in-plane magnetism in films with two atomic layers of Fe on W(110)

    Science.gov (United States)

    Belanger, R.; Venus, D.

    2017-02-01

    A two-dimensional (2D) percolation transition in Fe/W(110) ultrathin magnetic films occurs when islands in the second atomic layer percolate and resolve a frustrated magnetic state to produce long-range in-plane ferromagnetic order. Novel measurements of percolation using the magnetic susceptibility χ (θ ) as the films are deposited at a constant temperature, allow the long-range percolation transition to be observed as a sharp peak consistent with a critical phase transition. The measurements are used to trace the paramagnetic-to-ferromagnetic phase boundary between the T =0 percolation magnetic transition and the thermal Curie magnetic transition of the undiluted film. A quantitative comparison to critical scaling theory is made by fitting the functional form of the phase boundary. The fitted parameters are then used in theoretical expressions for χ (T ) in the critical region of the paramagnetic state to provide an excellent, independent representation of the experimental measurements.

  15. Modeling surface motion effects in N2 dissociation on W(110): Ab initio molecular dynamics calculations and generalized Langevin oscillator model

    Science.gov (United States)

    Nattino, Francesco; Galparsoro, Oihana; Costanzo, Francesca; Díez Muiño, Ricardo; Alducin, Maite; Kroes, Geert-Jan

    2016-06-01

    Accurately modeling surface temperature and surface motion effects is necessary to study molecule-surface reactions in which the energy dissipation to surface phonons can largely affect the observables of interest. We present here a critical comparison of two methods that allow to model such effects, namely, the ab initio molecular dynamics (AIMD) method and the generalized Langevin oscillator (GLO) model, using the dissociation of N2 on W(110) as a benchmark. AIMD is highly accurate as the surface atoms are explicitly part of the dynamics, but this advantage comes with a large computational cost. The GLO model is much more computationally convenient, but accounts for lattice motion effects in a very approximate way. Results show that, despite its simplicity, the GLO model is able to capture the physics of the system to a large extent, returning dissociation probabilities which are in better agreement with AIMD than static-surface results. Furthermore, the GLO model and the AIMD method predict very similar energy transfer to the lattice degrees of freedom in the non-reactive events, and similar dissociation dynamics.

  16. Maximum information photoelectron metrology

    CERN Document Server

    Hockett, P; Wollenhaupt, M; Baumert, T

    2015-01-01

    Photoelectron interferograms, manifested in photoelectron angular distributions (PADs), are a high-information, coherent observable. In order to obtain the maximum information from angle-resolved photoionization experiments it is desirable to record the full, 3D, photoelectron momentum distribution. Here we apply tomographic reconstruction techniques to obtain such 3D distributions from multiphoton ionization of potassium atoms, and fully analyse the energy and angular content of the 3D data. The PADs obtained as a function of energy indicate good agreement with previous 2D data and detailed analysis [Hockett et. al., Phys. Rev. Lett. 112, 223001 (2014)] over the main spectral features, but also indicate unexpected symmetry-breaking in certain regions of momentum space, thus revealing additional continuum interferences which cannot otherwise be observed. These observations reflect the presence of additional ionization pathways and, most generally, illustrate the power of maximum information measurements of th...

  17. Photoelectronic properties of semiconductors

    CERN Document Server

    Bube, Richard H

    1992-01-01

    The interaction between light and electrons in semiconductors forms the basis for many interesting and practically significant properties. This book examines the fundamental physics underlying this rich complexity of photoelectronic properties of semiconductors, and will familiarise the reader with the relatively simple models that are useful in describing these fundamentals. The basic physics is also illustrated with typical recent examples of experimental data and observations. Following introductory material on the basic concepts, the book moves on to consider a wide range of phenomena, including photoconductivity, recombination effects, photoelectronic methods of defect analysis, photoeffects at grain boundaries, amorphous semiconductors, photovoltaic effects and photoeffects in quantum wells and superlattices. The author is Professor of Materials Science and Electrical Engineering at Stanford University, and has taught this material for many years. He is an experienced author, his earlier books having fo...

  18. Interatomic scattering in energy dependent photoelectron spectra of Ar clusters

    Energy Technology Data Exchange (ETDEWEB)

    Patanen, M.; Benkoula, S.; Nicolas, C.; Goel, A. [Synchrotron SOLEIL, L’Orme des Merisiers, Saint-Aubin, BP 48, 91192 Gif-sur-Yvette Cedex (France); Antonsson, E. [Synchrotron SOLEIL, L’Orme des Merisiers, Saint-Aubin, BP 48, 91192 Gif-sur-Yvette Cedex (France); Physikalische und Theoretische Chemie Institut für Chemie und Biochemie, Fachbereich Biologie, Chemie, Pharmazie, Freie Universität Berlin, Takustrasse 3, 14195 Berlin (Germany); Neville, J. J. [Synchrotron SOLEIL, L’Orme des Merisiers, Saint-Aubin, BP 48, 91192 Gif-sur-Yvette Cedex (France); Department of Chemistry, University of New Brunswick, Fredericton, New Brunswick E3B 6E2 (Canada); Miron, C., E-mail: Catalin.Miron@synchrotron-soleil.fr [Synchrotron SOLEIL, L’Orme des Merisiers, Saint-Aubin, BP 48, 91192 Gif-sur-Yvette Cedex (France); Extreme Light Infrastructure - Nuclear Physics (ELI-NP), ‘Horia Hulubei’ National Institute for Physics and Nuclear Engineering, 30 Reactorului Street, RO-077125 Măgurele, Jud. Ilfov (Romania)

    2015-09-28

    Soft X-ray photoelectron spectra of Ar 2p levels of atomic argon and argon clusters are recorded over an extended range of photon energies. The Ar 2p intensity ratios between atomic argon and clusters’ surface and bulk components reveal oscillations similar to photoelectron extended X-ray absorption fine structure signal (PEXAFS). We demonstrate here that this technique allows us to analyze separately the PEXAFS signals from surface and bulk sites of free-standing, neutral clusters, revealing a bond contraction at the surface.

  19. Photoelectronic characterization of heterointerfaces.

    Energy Technology Data Exchange (ETDEWEB)

    Brumbach, Michael Todd

    2012-02-01

    In many devices such as solar cells, light emitting diodes, transistors, etc., the performance relies on the electronic structure at interfaces between materials within the device. The objective of this work was to perform robust characterization of hybrid (organic/inorganic) interfaces by tailoring the interfacial region for photoelectron spectroscopy. Self-assembled monolayers (SAM) were utilized to induce dipoles of various magnitudes at the interface. Additionally, SAMs of molecules with varying dipolar characteristics were mixed into spatially organized structures to systematically vary the apparent work function. Polymer thin films were characterized by depositing films of varying thicknesses on numerous substrates with and without interfacial modifications. Hard X-ray photoelectron spectroscopy (HAXPES) was performed to evaluate a buried interface between indium tin oxide (ITO), treated under various conditions, and poly(3-hexylthiophene) (P3HT). Conducting polymer films were found to be sufficiently conducting such that no significant charge redistribution in the polymer films was observed. Consequently, a further departure from uniform substrates was taken whereby electrically disconnected regions of the substrate presented ideally insulating interfacial contacts. In order to accomplish this novel strategy, interdigitated electrodes were used as the substrate. Conducting fingers of one half of the electrodes were electrically grounded while the other set of electrodes were electronically floating. This allowed for the evaluation of substrate charging on photoelectron spectra (SCOPES) in the presence of overlying semiconducting thin films. Such an experiment has never before been reported. This concept was developed out of the previous experiments on interfacial modification and thin film depositions and presents new opportunities for understanding chemical and electronic changes in a multitude of materials and interfaces.

  20. Vector potential photoelectron microscopy.

    Science.gov (United States)

    Browning, R

    2011-10-01

    A new class of electron microscope has been developed for the chemical microanalysis of a wide range of real world samples using photoelectron spectroscopy. Highly structured, three-dimensional samples, such as fiber mats and fracture surfaces can be imaged, as well as insulators and magnetic materials. The new microscope uses the vector potential field from a solenoid magnet as a spatial reference for imaging. A prototype instrument has demonstrated imaging of uncoated silk, magnetic steel wool, and micron-sized single strand tungsten wires.

  1. Characterization of Ge-nanocrystal films with photoelectron spectroscopy

    CERN Document Server

    Bostedt, C; Willey, T M; Nelson, A J; Franco, N; Möller, T; Terminello, L J

    2003-01-01

    The Ge 3d core-levels of germanium nanocrystal films have been investigated by means of photoelectron spectroscopy. The experiments indicate bulk-like coordinated atoms in the nanocrystals and suggest structured disorder on the nanoparticle surface. The results underline the importance of the surface on the overall electronic structure of this class of nanostructured materials.

  2. Photoelectron spectroscopy principles and applications

    CERN Document Server

    Hüfner, Stefan

    1995-01-01

    Photoelectron Spectroscopy presents an up-to-date introduction to the field by treating comprehensively the electronic structures of atoms, molecules, solids and surfaces Brief descriptions are given of inverse photoemission, spin-polarized photoemission and photoelectron diffraction Experimental aspects are considered throughout the book, and the results are carefully interpreted by theory A wealth of measured data is presented in the form of tables for easy use by experimentalists

  3. Photoelectron spectroscopy and modeling of interface properties related to organic photovoltaic cells

    NARCIS (Netherlands)

    Fahlman, Mats; Sehati, Parisa; Osikowicz, Wojciech; Braun, Slawomir; Jong, de Michel P.; Brocks, Geert

    2013-01-01

    In this short review, we will give examples on how photoelectron spectroscopy (PES) assisted by models on interface energetics can be used to study properties important to bulk heterojunction type organic photovoltaic devices focusing on the well-known bulk heterojunction blend of poly(3-hexylthioph

  4. Photoelectron circular dichroism of isopropanolamine

    Science.gov (United States)

    Catone, D.; Turchini, S.; Contini, G.; Prosperi, T.; Stener, M.; Decleva, P.; Zema, N.

    2017-01-01

    Spectroscopies based on circular polarized light are sensitive to the electronic and structural properties of chiral molecules. Photoelectron circular dichroism (PECD) is a powerful technique that combines the chiral sensitivity of the circular polarized light and the electronic information obtained by photoelectron spectroscopy. An experimental and theoretical PECD study of the outer valence and C 1s core states of 1-amino-2-propanol in the gas phase is presented. The experimental dichroic dispersions in the photoelectron kinetic energy are compared with theoretical calculations employing a multicentric basis set of B-spline functions and a Kohn-Sham Hamiltonian. In order to understand analogies and differences in the dichroism of structural isomers bearing the same functional groups, a comparison with previous PECD study of valence band of 2-amino-1-propanol is carried out.

  5. Photoelectron photoion molecular beam spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Trevor, D.J.

    1980-12-01

    The use of supersonic molecular beams in photoionization mass spectroscopy and photoelectron spectroscopy to assist in the understanding of photoexcitation in the vacuum ultraviolet is described. Rotational relaxation and condensation due to supersonic expansion were shown to offer new possibilities for molecular photoionization studies. Molecular beam photoionization mass spectroscopy has been extended above 21 eV photon energy by the use of Stanford Synchrotron Radiation Laboratory (SSRL) facilities. Design considerations are discussed that have advanced the state-of-the-art in high resolution vuv photoelectron spectroscopy. To extend gas-phase studies to 160 eV photon energy, a windowless vuv-xuv beam line design is proposed.

  6. Photoelectron Spectroscopy Study of Quinonimides

    Energy Technology Data Exchange (ETDEWEB)

    Hossain, Ekram; Deng, Shihu; Gozem, Samer; Krylov, Anna; Wang, Xue-Bin; Wenthold, Paul G.

    2017-08-16

    Structures and energetics of o-, m- and p-quinonimide anions (OC6H4N) and quinoniminyl radicals have been investigated by using negative ion photoelectron spectroscopy. Modeling of the photoelectron spectrum of the ortho isomer shows that the ground state of the anion is a triplet, while the quinoniminyl radical has a doublet ground state with a doublet-quartet splitting of 35.5 kcal/mol. The para radical has doublet ground state, but a band for a quartet state is missing from the photoelectron spectrum indicating that the anion has a singlet ground state, in contrast to previously reported calculations. The theoretical modeling is revisited here, and it is shown that accurate predictions for the electronic structure of the para quinonimide anion require both an accurate account of electron correlation and a sufficiently diffuse basis set. Electron affinities of o- and p-quinoniminyl radicals are measured to be 1.715 ± 0.010 and 1.675 ± 0.010 eV, respectively. The photoelectron spectrum of the m-quinonimide anion shows that the ion undergoes several different rearrangements, including a rearrangement to the energetically favorable para isomer. Such rearrangements preclude a meaningful analysis of the experimental spectrum.

  7. Toward a surface photoelectron diffractometer: A progress report on selected advances and an assessment

    Energy Technology Data Exchange (ETDEWEB)

    Shirley, D.A [Pennsylvania State Univ., University Park, PA (United States); Zheng, Yu; Petersen, B.L.; Hussain, Z.; Huff, W.A. [Lawrence Berkeley Lab., CA (United States); Barton, J.J. [International Business Machines Corp., Yorktown Heights, NY (United States). Thomas J. Watson Research Center; Terminello, L.J. [Lawrence Livermore National Lab., CA (United States)

    1993-10-06

    X-ray diffractometric determination of atomic structures in ordered bulk systems is highly automated and has wide application. By contrast, surface crystallography, whether based on photon or electron scattering, is still in a relatively early stage of development. A summary is given of recent selected highlights in efforts to make progress toward surface photoelectron diffractometry and holography by our Berkeley-Penn State group. It is concluded that an automated photoelectron diffractometer is practical and desirable.

  8. Photoelectron spectroscopy of phthalocyanine vapors

    Energy Technology Data Exchange (ETDEWEB)

    Berkowitz, J.

    1979-01-01

    The He(I) photoelectron spectra of several metal phthalocyanines and metal-free phthalocyanine vapor shows that: a sharp peak at 4.99 eV is an artifact due to ionization of atomic He by He(II) radiation; the first phthalocyanine peak (metal-containing or metal-free) occurs at 6.4 eV; and the metal-like d orbitals lie at least 1 to 2 eV deeper, except in the case of Fe. (DLC)

  9. Photoelectron Spectroscopy of Substituted Phenylnitrenes

    Science.gov (United States)

    Wijeratne, Neloni R.; Fonte, Maria Da; Wenthold, Paul G.

    2009-06-01

    Nitrenes are unusual molecular structures with unfilled electronic valences that are isoelectronic with carbenes. Although, both can be generated by either thermal or photochemical decomposition of appropriate precursors they usually exhibit different reactivities. In this work, we carry out spectroscopic studies of substituted phenylnitrene to determine how the introduction of substituents will affect the reactivity and its thermochemical properties. All studies were carried out by using the newly constructed time-of-flight negative ion photoelectron spectrometer (NIPES) at Purdue University. The 355 nm photoelectron spectra of the o-, m-, and p-chlorophenyl nitrene anions are fairly similar to that measured for phenylnitrene anion. All spectra show low energy triplet state and a high energy singlet state. The singlet state for the meta isomer is well-resolved, with a well defined origin and observable vibrational structure. Whereas the singlet states for the ortho and para isomers have lower energy onsets and no resolved structure. The isomeric dependence suggests that the geometry differences result from the resonance interaction between the nitrogen and the substituent. Quinoidal resonance structures are possible for the open-shell singlet states of the o- and p-chlorinated phenyl nitrenes. The advantages of this type of electronic structures for the open-shell singlet states is that the unpaired electrons can be more localized on separate atoms in the molecules, minimizing the repulsion between. Because the meta position is not in resonance with the nitrenes, substitution at that position should not affect the structure of the open-shell singlet state. The measured electron affinities (EA) of the triplet phenylnitrenes are in excellent agreement with the values predicted by electronic structure calculations. The largest EA, 1.82 eV is found for the meta isomer, with para being the smallest, 1.70 eV.

  10. Hard X-ray photoelectron spectroscopy: A few recent applications

    Energy Technology Data Exchange (ETDEWEB)

    Taguchi, M., E-mail: mtaguchi@spring8.or.jp [RIKEN SPring-8 Center, Sayo, Hyogo 679-5148 (Japan); Takata, Y.; Chainani, A. [RIKEN SPring-8 Center, Sayo, Hyogo 679-5148 (Japan)

    2013-10-15

    Highlights: ► We discuss recent applications of HAXPES carried out at BL29XU in SPring-8. ► We provide a brief description of the salient features of the instrument. ► The recoil effect of photoelectrons in core levels and valence band are discussed. ► We overview HAXPES studies of a series of 3d transition metal compounds. ► The extended cluster model for explaining well-screened feature is presented. -- Abstract: In this report, we discuss a few recent applications of hard X-ray photoelectron spectroscopy (HAXPES) carried out at the RIKEN beamline BL29XU in SPring-8. We first provide a brief description of the salient features of the instrument in operation at BL29 XU in SPring-8. HAXPES studies on the recoil effect of photoelectrons in core levels and valence band states are presented. The experiments show remarkable consistency with theoretical results and indicate the role of phonon excitations in the recoil effect of photoelectrons. We then overview HAXPES applied to the study of a series of 3d transition metal (TM) compounds. The HAXPES experimental results often show an additional well-screened feature in bulk sensitive electronic structure of strongly correlated compounds compared to surface sensitive spectra. The extended cluster model developed by us for explaining this well-screened feature is validated for a series of TM compounds. These results show that HAXPES is a valuable tool for the study of doping and temperature dependent electronic structure of solids with tremendous potential for future activities.

  11. Coherent Control of Photoelectron Wavepacket Angular Interferograms

    OpenAIRE

    Hockett, Paul; Wollenhaupt, Matthias; Baumert, Thomas

    2015-01-01

    Coherent control over photoelectron wavepackets, via the use of polarization-shaped laser pulses, can be understood as a time and polarization-multiplexed process. In this work, we investigate this multiplexing via computation of the observable photoelectron angular interferograms resulting from multi-photon atomic ionization with polarization-shaped laser pulses. We consider the polarization sensitivity of both the instantaneous and cumulative continuum wavefunction; the nature of the cohere...

  12. Near threshold studies of photoelectron satellites

    Energy Technology Data Exchange (ETDEWEB)

    Heimann, P.A.

    1986-11-01

    Photoelectron spectroscopy and synchrotron radiation have been used to study correlation effects in the rare gases: He, Ne, Ar, Kr, and Xe. Two kinds of time-of-flight electron analyzers were employed to examine photoionization very close to threshold and at higher kinetic energies. Partial cross sections and angular distributions have been measured for a number of photoelectron satellites. The shake-off probability has been determined at some inner-shell resonances. 121 refs., 28 figs., 13 tabs.

  13. Coherent Control of Photoelectron Wavepacket Angular Interferograms

    OpenAIRE

    Hockett, Paul; Wollenhaupt, Matthias; Baumert, Thomas

    2015-01-01

    Coherent control over photoelectron wavepackets, via the use of polarization-shaped laser pulses, can be understood as a time and polarization-multiplexed process. In this work, we investigate this multiplexing via computation of the observable photoelectron angular interferograms resulting from multi-photon atomic ionization with polarization-shaped laser pulses. We consider the polarization sensitivity of both the instantaneous and cumulative continuum wavefunction; the nature of the cohere...

  14. Forward-backward asymmetries of atomic photoelectrons.

    Energy Technology Data Exchange (ETDEWEB)

    Biheux, J. C.; Dunford, R. W.; Gemmell, D. S.; Hasegawa, S.; Kanter, E. P.; Krassig, B.; Southworth, S. H.; Young, L.

    1999-01-19

    When atomic photoionization is treated beyond the dipole approximation, photoelectron angular distributions are asymmetric forward and backward with respect to the direction of the photon beam. We have measured forward-backward asymmetries of Ar 1s and Kr 1s and 2s photoelectrons using 2-19 keV x-rays. The measured asymmetries compare well with calculations which include interference between electric-dipole and electric-quadrupole amplitudes within the nonrelativistic, independent-particle approximations.

  15. Photoelectron spectroscopy and Auger electron spectroscopy of solids and surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Kowalczyk, S.P.

    1976-01-01

    The use of photoelectron spectroscopy, primarily x-ray photoelectron spectroscopy, to obtain information on the electronic structure of a wide variety of solids (especially the bulk electronic structure of solids) is covered. Both valence band and core-level spectra, as well as a few cases of photon excited Auger electron spectroscopy, are employed in the investigations to derive information on N(E). The effect of several modulations inherent in the measured I(E)'s, such as final state band structure, cross section, and relaxation, is discussed. Examples of many-electron interactions in PES are given. Some experimental aspects of PES and AES studies are given with emphasis on sample preparation techniques. Multiple splitting of core levels is examined using the Mn levels in MnF/sub 2/ as a detailed case study. Core level splittings in transition metals, rare earth metals, transition metal halides and several alloys are also reported. The application of PES to the study of the chemical bond in some crystalline semiconductors and insulators, A/sup N/B/sup 8-N/ and A/sup N/B/sup 10-N/ compounds is treated, and a spectroscopic scale of ionicity for these compounds is developed from the measured ''s-band'' splitting in the valence band density of states. (GHT)

  16. Coherent control of photoelectron wavepacket angular interferograms

    Science.gov (United States)

    Hockett, P.; Wollenhaupt, M.; Baumert, T.

    2015-11-01

    Coherent control over photoelectron wavepackets, via the use of polarization-shaped laser pulses, can be understood as a time and polarization-multiplexed process, where the final (time-integrated) observable coherently samples all instantaneous states of the light-matter interaction. In this work, we investigate this multiplexing via computation of the observable photoelectron angular interferograms resulting from multi-photon atomic ionization with polarization-shaped laser pulses. We consider the polarization sensitivity of both the instantaneous and cumulative continuum wavefunction; the nature of the coherent control over the resultant photoelectron interferogram is thus explored in detail. Based on this understanding, the use of coherent control with polarization-shaped pulses as a methodology for a highly multiplexed coherent quantum metrology is also investigated, and defined in terms of the information content of the observable.

  17. Coherent Control of Photoelectron Wavepacket Angular Interferograms

    CERN Document Server

    Hockett, Paul; Baumert, Thomas

    2015-01-01

    Coherent control over photoelectron wavepackets, via the use of polarization-shaped laser pulses, can be understood as a time and polarization-multiplexed process. In this work, we investigate this multiplexing via computation of the observable photoelectron angular interferograms resulting from multi-photon atomic ionization with polarization-shaped laser pulses. We consider the polarization sensitivity of both the instantaneous and cumulative continuum wavefunction; the nature of the coherent control over the resultant photoelectron interferogram is thus explored in detail. Based on this understanding, the use of coherent control with polarization-shaped pulses as a methodology for a highly multiplexed coherent quantum metrology is also investigated, and defined in terms of the information content of the observable.

  18. Anion photoelectron imaging spectroscopy of glyoxal

    Science.gov (United States)

    Xue, Tian; Dixon, Andrew R.; Sanov, Andrei

    2016-09-01

    We report a photoelectron imaging study of the radical-anion of glyoxal. The 532 nm photoelectron spectrum provides the first direct spectroscopic determination of the adiabatic electron affinity of glyoxal, EA = 1.10 ± 0.02 eV. This assignment is supported by a Franck-Condon simulation of the experimental spectrum that successfully reproduces the observed spectral features. The vertical detachment energy of the radical-anion is determined as VDE = 1.30 ± 0.04 eV. The reported EA and VDE values are attributed to the most stable (C2h symmetry) isomers of the neutral and the anion.

  19. Photoelectron-photoabsorption (PePa) database

    Science.gov (United States)

    Śmiałek, Małgorzata A.; Mason, Nigel J.

    2016-03-01

    In this paper a recently launched Photoelectron-Photoabsorption Database is presented. The database was developed in order to gather all the photoelectron and photoabsorption spectra measured by various collaborators over the years as well as to ease the access to the data to the potential users. In the paper the main features of the database were described and its outline explained. Contribution to the Topical Issue "Advances in Positron and Electron Scattering", edited by Paulo Limao-Vieira, Gustavo Garcia, E. Krishnakumar, James Sullivan, Hajime Tanuma and Zoran Petrovic.

  20. Photoelectron Spectroscopy in Advanced Placement Chemistry

    Science.gov (United States)

    Benigna, James

    2014-01-01

    Photoelectron spectroscopy (PES) is a new addition to the Advanced Placement (AP) Chemistry curriculum. This article explains the rationale for its inclusion, an overview of how the PES instrument records data, how the data can be analyzed, and how to include PES data in the course. Sample assessment items and analysis are included, as well as…

  1. Imaging molecular structure with photoelectron diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Boll, Rebecca

    2014-07-02

    The possibility to study the structure of polyatomic gas-phase molecules by photoelectron diffraction is investigated with the goal of developing a method capable of imaging ultrafast photochemical reactions with femtosecond temporal and sub-Angstroem spatial resolution. The fluorine 1s-level of adiabatically laser-aligned 1-ethynyl-4-fluorobenzene (C{sub 8}H{sub 5}F) molecules was ionized by X-ray pulses from the Linac Coherent Light Source Free-Electron Laser, and the angular distributions of photoelectrons with kinetic energies between 30 and 60 eV were recorded by velocity map imaging. Comparison with density functional theory calculations allows relating the measured distributions to the molecular structure. The results of an IR-pump, X-ray-probe experiment on aligned 1,4-dibromobenzene (C{sub 6}H{sub 4}Br{sub 2})molecules are presented to explore the potential of photoelectron diffraction for time-resolved imaging. The influence of the alignment laser pulse on the pumping and probing step is discussed. Laser-alignment is contrasted with determination of the molecular orientation by photoelectron-photoion coincidences for an exemplary data set on 1-ethynyl-4-fluorobenzene molecules recorded at the PETRA III synchrotron. Both methods are evaluated with respect to their applicability to record time-dependent snapshots of molecular structure. The results obtained in this work indicate possible future avenues for investigating ultrafast molecular dynamics using X-ray Free-Electron Lasers.

  2. Photoelectron Spectroscopy in Advanced Placement Chemistry

    Science.gov (United States)

    Benigna, James

    2014-01-01

    Photoelectron spectroscopy (PES) is a new addition to the Advanced Placement (AP) Chemistry curriculum. This article explains the rationale for its inclusion, an overview of how the PES instrument records data, how the data can be analyzed, and how to include PES data in the course. Sample assessment items and analysis are included, as well as…

  3. Polarization Effects in Attosecond Photoelectron Spectroscopy

    DEFF Research Database (Denmark)

    Baggesen, Jan Conrad; Madsen, Lars Bojer

    2010-01-01

    following the field instead. We show that polarization effects may lead to an apparent temporal shift that needs to be properly accounted for in the analysis. The effect may be isolated and studied by angle-resolved photoelectron spectroscopy from oriented polar molecules. We also show that polarization...

  4. Threshold photoelectron spectroscopy of acetaldehyde and acrolein

    Energy Technology Data Exchange (ETDEWEB)

    Yencha, Andrew J., E-mail: ayencha@albany.edu [Department of Chemistry, University at Albany, State University of New York, Albany, NY 12222 (United States); Siggel-King, Michele R.F. [Cockcroft Institute, Sci-Tech Daresbury, Warrrington WA4 4AD (United Kingdom); Department of Physics, University of Liverpool, Liverpool L69 3BX (United Kingdom); King, George C. [Department of Physics and Astronomy and Photon Science Institute, Manchester University, Manchester M13 9PL (United Kingdom); Malins, Andrew E.R. [Cockcroft Institute, Sci-Tech Daresbury, Warrrington WA4 4AD (United Kingdom); Eypper, Marie [School of Chemistry, University of Southampton, Southampton SO17 1BJ (United Kingdom)

    2013-04-15

    Highlights: •High-resolution threshold photoelectron spectrum of acetaldehyde. •High-resolution threshold photoelectron spectrum of acrolein. •High-resolution total photoion yield spectrum of acetaldehyde. •High-resolution total photoion yield spectrum of acrolein. •Determination of vertical ionization potentials in acetaldehyde and acrolein. -- Abstract: High-resolution (6 meV and 12 meV) threshold photoelectron (TPE) spectra of acetaldehyde and acrolein (2-propenal) have been recorded over the valence binding energy region 10–20 eV, employing synchrotron radiation and a penetrating-field electron spectrometer. These TPE spectra are presented here for the first time. All of the band structures observed in the TPE spectra replicate those found in their conventional HeI photoelectron (PE) spectra. However, the relative band intensities are found to be dramatically different in the two types of spectra that are attributed to the different dominant operative formation mechanisms. In addition, some band shapes and their vertical ionization potentials are found to differ in the two types of spectra that are associated with the autoionization of Rydberg states in the two molecules.

  5. Photoelectron spectroscopy of heavy atoms and molecules

    Energy Technology Data Exchange (ETDEWEB)

    White, M.G.

    1979-07-01

    The importance of relativistic interactions in the photoionization of heavy atoms and molecules has been investigated by the technique of photoelectron spectroscopy. In particular, experiments are reported which illustrate the effects of the spin-orbit interaction in the neutral ground state, final ionic states and continuum states of the photoionization target.

  6. Photoelectron spectroscopy and the dipole approximation

    Energy Technology Data Exchange (ETDEWEB)

    Hemmers, O.; Hansen, D.L.; Wang, H. [Univ. of Nevada, Las Vegas, NV (United States)] [and others

    1997-04-01

    Photoelectron spectroscopy is a powerful technique because it directly probes, via the measurement of photoelectron kinetic energies, orbital and band structure in valence and core levels in a wide variety of samples. The technique becomes even more powerful when it is performed in an angle-resolved mode, where photoelectrons are distinguished not only by their kinetic energy, but by their direction of emission as well. Determining the probability of electron ejection as a function of angle probes the different quantum-mechanical channels available to a photoemission process, because it is sensitive to phase differences among the channels. As a result, angle-resolved photoemission has been used successfully for many years to provide stringent tests of the understanding of basic physical processes underlying gas-phase and solid-state interactions with radiation. One mainstay in the application of angle-resolved photoelectron spectroscopy is the well-known electric-dipole approximation for photon interactions. In this simplification, all higher-order terms, such as those due to electric-quadrupole and magnetic-dipole interactions, are neglected. As the photon energy increases, however, effects beyond the dipole approximation become important. To best determine the range of validity of the dipole approximation, photoemission measurements on a simple atomic system, neon, where extra-atomic effects cannot play a role, were performed at BL 8.0. The measurements show that deviations from {open_quotes}dipole{close_quotes} expectations in angle-resolved valence photoemission are observable for photon energies down to at least 0.25 keV, and are quite significant at energies around 1 keV. From these results, it is clear that non-dipole angular-distribution effects may need to be considered in any application of angle-resolved photoelectron spectroscopy that uses x-ray photons of energies as low as a few hundred eV.

  7. Acid generation efficiency: EUV photons versus photoelectrons

    Science.gov (United States)

    Goldfarb, Dario L.; Afzali-Ardakani, Ali; Glodde, Martin

    2016-03-01

    EUV photoacid generation efficiency has been described primarily in terms of the EUV photon absorption by the PAG or the resist matrix and the production of low energy photoelectrons, which are reported as being ultimately responsible for the high quantum efficiencies reported in EUV resists (harvesting efficiency. However, such studies either did not disclose the PAG chemical structures, replaced the EUV source with an e-beam source, or lacked a fundamental discussion of the underlying physical mechanisms behind EUV PAG decomposition. In this work, we report the EUV photospeed of a methacrylatebased resist formulated with a battery of openly disclosed isostructural sulfonium PAGs covering a wide range of EA's and Ered's, to unveil any preferential photoelectron scavenging effect. In parallel, several iodonium PAGs are also tested in order to compare the direct EUV photon absorption route to the photoelectron-based decomposition path. Contrarily to what has been widely reported, we have found no direct correlation whatsoever between photospeed and the calculated EA's or experimental Ered's for the isostructural sulfonium PAGs studied. Instead, we found that iodonium PAGs make more efficient use of the available EUV power due to their higher photoabsorption cross-section. Additionally, we determined a cation size effect for both PAG groups, which is able to further modulate the acid generation efficiency. Finally, we present a formal explanation for the unselective response towards photoelectron harvesting based on the stabilization of the PAG cation by bulky substituent groups, the spatial and temporal range of the transient photoelectron and the differences in electron transfer processes for the different systems studied.

  8. Injection of photoelectrons into dense argon gas

    CERN Document Server

    Borghesani, A F

    2010-01-01

    The injection of photoelectrons in a gaseous or liquid sample is a widespread technique to produce a cold plasma in a weakly--ionized system in order to study the transport properties of electrons in a dense gas or liquid. We report here the experimental results of photoelectron injection into dense argon gas at the temperatureT=142.6 K as a function of the externally applied electric field and gas density. We show that the experimental data can be interpreted in terms of the so called Young-Bradbury model only if multiple scattering effects due to the dense environment are taken into account when computing the scattering properties and the energetics of the electrons.

  9. Photoelectron diffraction and holography: Some new directions

    Energy Technology Data Exchange (ETDEWEB)

    Fadley, C.S. [Lawrence Berkeley Lab., CA (United States)]|[California Univ., Davis, CA (United States). Dept. of Physics

    1993-08-01

    Photoelectron diffraction has by now become a versatile and powerful technique for studying surface structures, with special capabilities for resolving chemical and magnetic states of atoms and deriving direct structural information from both forward scattering along bond directions and back-scattering path length differences. Further fitting experiment to theory can lead to structural accuracies in the {plus_minus}0.03 ){Angstrom} range. Holographic inversions of such diffraction data also show considerable promise for deriving local three-dimensional structures around a given emitter with accuracies of {plus_minus}0.2--0.3 {Angstrom}. Resolving the photoelectron spin in some way and using circularly polarized radiation for excitation provide added dimensions for the study of magnetic systems and chiral experimental geometries. Synchrotron radiation with the highest brightness and energy resolution, as well as variable polarization, is crucial to the full exploitation of these techniques.

  10. Nondipole effects in attosecond photoelectron streaking

    DEFF Research Database (Denmark)

    Spiewanowski, Maciek; Madsen, Lars Bojer

    2012-01-01

    The influence of nondipole terms on the time delay in photoionization by an extreme-ultraviolet attosecond pulse in the presence of a near-infrared femtosecond laser pulse from 1s, 2s, and 2p states in hydrogen is investigated. In this attosecond photoelectron streaking process, the relative...... to nondipole terms is found. The numerical calculations are supported by a theoretical analysis of the time delay....

  11. Anion photoelectron spectroscopy of radicals and clusters

    Energy Technology Data Exchange (ETDEWEB)

    Travis, Taylor R. [Univ. of California, Berkeley, CA (United States)

    1999-12-01

    Anion photoelectron spectroscopy is used to study free radicals and clusters. The low-lying 2Σ and 2π states of C2nH (n = 1--4) have been studied. The anion photoelectron spectra yielded electron affinities, term values, and vibrational frequencies for these combustion and astrophysically relevant species. Photoelectron angular distributions allowed the author to correctly assign the electronic symmetry of the ground and first excited states and to assess the degree of vibronic coupling in C2H and C4H. Other radicals studied include NCN and I3. The author was able to observe the low-lying singlet and triplet states of NCN for the first time. Measurement of the electron affinity of I3 revealed that it has a bound ground state and attachment of an argon atom to this moiety enabled him to resolve the symmetric stretching progression.

  12. X-ray Photoelectron Spectroscopy Database (Version 4.1)

    Science.gov (United States)

    SRD 20 X-ray Photoelectron Spectroscopy Database (Version 4.1) (Web, free access)   The NIST XPS Database gives access to energies of many photoelectron and Auger-electron spectral lines. The database contains over 22,000 line positions, chemical shifts, doublet splittings, and energy separations of photoelectron and Auger-electron lines.

  13. Electron mean free path from angle-dependent photoelectron spectroscopy of aerosol particles

    CERN Document Server

    Goldmann, Maximilian; West, Adam H C; Yoder, Bruce L; Signorell, Ruth

    2015-01-01

    We propose angle-resolved photoelectron spectroscopy of aerosol particles as an alternative way to determine the electron mean free path of low energy electrons in solid and liquid materials. The mean free path is obtained from fits of simulated photoemission images to experimental ones over a broad range of different aerosol particle sizes. The principal advantage of the aerosol approach is twofold. Firstly, aerosol photoemission studies can be performed for many different materials, including liquids. Secondly, the size-dependent anisotropy of the photoelectrons can be exploited in addition to size-dependent changes in their kinetic energy. These finite size effects depend in different ways on the mean free path and thus provide more information on the mean free path than corresponding liquid jet, thin film, or bulk data. The present contribution is a proof of principle employing a simple model for the photoemission of electrons and preliminary experimental data for potassium chloride aerosol particles.

  14. Magnetic dichroism in angular resolved hard X-ray photoelectron spectroscopy from buried magnetic layers

    Energy Technology Data Exchange (ETDEWEB)

    ViolBarbosa, Carlos E.; Ouardi, Siham [Max Planck Institute for Chemical Physics of Solids, Nöthnitzer Str. 40, 01187 Dresden (Germany); Fecher, Gerhard H., E-mail: fecher@cpfs.mpg.de [Max Planck Institute for Chemical Physics of Solids, Nöthnitzer Str. 40, 01187 Dresden (Germany); Ebke, Daniel; Felser, Claudia [Max Planck Institute for Chemical Physics of Solids, Nöthnitzer Str. 40, 01187 Dresden (Germany)

    2013-08-15

    Highlights: ► We show the feasibility of angular resolved MCD in photospectroscopy. ► Wide-acceptance lens system allows a fixed incident light angle in the experiment. ► Bulk-sensitive HAXPES-MCDAD was used to study buried layers. ► Performance tools as Scalasca and Paraver are used to debug the applications. -- Abstract: This work reports on the measurement of magnetic dichroism in angular-resolved photoelectron spectroscopy from in-plane magnetized buried thin films. The high bulk sensitivity of hard X-ray photoelectron spectroscopy (HAXPES) in combination with circularly polarized radiation enables the investigation of the magnetic properties of buried layers. Angular distributions of high kinetic energy (7–8 keV) photoelectrons in a range of about 60° were recorded in parallel to the energy distribution. Depending on purpose, energy and angular resolutions of 150–250 meV and 0.17–2° can be accomplished simultaneously in such experiments. Experiments were performed on exchange-biased magnetic layers covered by thin oxide films. More specifically, the angular distribution of photoelectrons from the ferromagnetic layer Co{sub 2}FeAl layer grown on MnIr exchange-biasing layer was investigated where the magnetic structure is buried beneath a MgO layer. Pronounced magnetic dichroism is found in the Co and Fe 2p states for all angles of emission. A slightly increased magnetic dichroism was observed for normal emission in agreement with theoretical considerations.

  15. Zinc uptake by brain cells: `surface' versus `bulk'

    Science.gov (United States)

    DeStasio, Gelsomina; Pochon, S.; Lorusso, G. F.; Tonner, B. P.; Mercanti, Delio; Ciotti, M. Teresa; Oddo, Nino; Galli, Paolo; Perfetti, P.; Margaritondo, G.

    1996-08-01

    The uptake of zinc by cerebellar rat cultures upon exposure to 0022-3727/29/8/023/img12 solutions was comparatively investigated using two well known condensed matter physics techniques: synchrotron photoelectron spectromicroscopy and inductively coupled plasma atomic emission spectroscopy. The objective was to apply a strategy - well known in surface physics - to distinguish between `surface' and `bulk' phenomena. The results clearly demonstrate that exposure significantly enhances the bulk (cell cytoplasm) Zn concentration with respect to the physiological level, whereas the effect on the surface (cell membrane) is negligible.

  16. X-Ray photoelectron Spectroscopy Applications

    Energy Technology Data Exchange (ETDEWEB)

    Engelhard, Mark H.; Droubay, Timothy C.; Du, Yingge

    2017-01-03

    With capability for obtaining quantitative elemental composition, chemical and electronic state, and overlayer thickness information from the top ~10 nm of a sample surface, X-ray Photoelectron Spectroscopy (XPS) or Electron Spectroscopy for Chemical Analysis (ESCA) is a versatile and widely used technique for analyzing surfaces. The technique is applied to a host of materials, from insulators to conductors in virtually every scientific field and sub-discipline. More recently, XPS has been extended under in-situ and operando conditions. Following a brief introduction to XPS principles and instrument components, this article exemplifies widely ranging XPS applications in material and life sciences.

  17. Bulk Nanostructured Materials

    Science.gov (United States)

    Koch, C. C.; Langdon, T. G.; Lavernia, E. J.

    2017-09-01

    This paper will address three topics of importance to bulk nanostructured materials. Bulk nanostructured materials are defined as bulk solids with nanoscale or partly nanoscale microstructures. This category of nanostructured materials has historical roots going back many decades but has relatively recent focus due to new discoveries of unique properties of some nanoscale materials. Bulk nanostructured materials are prepared by a variety of severe plastic deformation methods, and these will be reviewed. Powder processing to prepare bulk nanostructured materials requires that the powders be consolidated by typical combinations of pressure and temperature, the latter leading to coarsening of the microstructure. The thermal stability of nanostructured materials will also be discussed. An example of bringing nanostructured materials to applications as structural materials will be described in terms of the cryomilling of powders and their consolidation.

  18. Graphene Membranes for Atmospheric Pressure Photoelectron Spectroscopy.

    Science.gov (United States)

    Weatherup, Robert S; Eren, Baran; Hao, Yibo; Bluhm, Hendrik; Salmeron, Miquel B

    2016-05-05

    Atmospheric pressure X-ray photoelectron spectroscopy (XPS) is demonstrated using single-layer graphene membranes as photoelectron-transparent barriers that sustain pressure differences in excess of 6 orders of magnitude. The graphene serves as a support for catalyst nanoparticles under atmospheric pressure reaction conditions (up to 1.5 bar), where XPS allows the oxidation state of Cu nanoparticles and gas phase species to be simultaneously probed. We thereby observe that the Cu(2+) oxidation state is stable in O2 (1 bar) but is spontaneously reduced under vacuum. We further demonstrate the detection of various gas-phase species (Ar, CO, CO2, N2, O2) in the pressure range 10-1500 mbar including species with low photoionization cross sections (He, H2). Pressure-dependent changes in the apparent binding energies of gas-phase species are observed, attributable to changes in work function of the metal-coated grids supporting the graphene. We expect atmospheric pressure XPS based on this graphene membrane approach to be a valuable tool for studying nanoparticle catalysis.

  19. Large area bulk superconductors

    Science.gov (United States)

    Miller, Dean J.; Field, Michael B.

    2002-01-01

    A bulk superconductor having a thickness of not less than about 100 microns is carried by a polycrystalline textured substrate having misorientation angles at the surface thereof not greater than about 15.degree.; the bulk superconductor may have a thickness of not less than about 100 microns and a surface area of not less than about 50 cm.sup.2. The textured substrate may have a thickness not less than about 10 microns and misorientation angles at the surface thereof not greater than about 15.degree.. Also disclosed is a process of manufacturing the bulk superconductor and the polycrystalline biaxially textured substrate material.

  20. Quantum optimal control of photoelectron spectra and angular distributions

    CERN Document Server

    Goetz, R Esteban; Santra, Robin; Koch, Christiane P

    2016-01-01

    Photoelectron spectra and photoelectron angular distributions obtained in photoionization reveal important information on e.g. charge transfer or hole coherence in the parent ion. Here we show that optimal control of the underlying quantum dynamics can be used to enhance desired features in the photoelectron spectra and angular distributions. To this end, we combine Krotov's method for optimal control theory with the time-dependent configuration interaction singles formalism and a splitting approach to calculate photoelectron spectra and angular distributions. The optimization target can account for specific desired properties in the photoelectron angular distribution alone, in the photoelectron spectrum, or in both. We demonstrate the method for hydrogen and then apply it to argon under strong XUV radiation, maximizing the difference of emission into the upper and lower hemispheres, in order to realize directed electron emission in the XUV regime.

  1. A Photoelectron Spectroscopic Study of Di-t-butylphosphazene

    DEFF Research Database (Denmark)

    Elbel, S.; Ellis, A.; Niecke, E.

    1985-01-01

    Gaseous trans-ButPNBut, generated by mild gas-phase thermolysis of its more stable [2 + 1] cyclodimer, has been characterized by field-ionization mass spectrometry and U.V. photoelectron spectroscopy. The photoelectron spectrum has been assigned based on SCC-Xα model calculations for representat......Gaseous trans-ButPNBut, generated by mild gas-phase thermolysis of its more stable [2 + 1] cyclodimer, has been characterized by field-ionization mass spectrometry and U.V. photoelectron spectroscopy. The photoelectron spectrum has been assigned based on SCC-Xα model calculations...

  2. Bimolecular reaction dynamics from photoelectron spectroscopy of negative ions

    Energy Technology Data Exchange (ETDEWEB)

    Bradforth, S.E.

    1992-11-01

    The transition state region of a neutral bimolecular reaction may be experimentally investigated by photoelectron spectroscopy of an appropriate negative ion. The photoelectron spectrum provides information on the spectroscopy and dynamics of the short lived transition state and may be used to develop model potential energy surfaces that are semi-quantitative in this important region. The principles of bound [yields] bound negative ion photoelectron spectroscopy are illustrated by way of an example: a full analysis of the photoelectron bands of CN[sup [minus

  3. Structure of the c(2x2) Mn/Ni(001) surface alloy by quantitative photoelectron diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Banerjee, S.; Denlinger, J.; Chen, X. [Univ. of Wisconsin, Milwaukee, WI (United States)] [and others

    1997-04-01

    Surface alloys are two-dimensional metallic systems that can have structures that are unique to the surface, and have no counterpart in the bulk binary phase diagram. A very unusual structure was reported for the Mn-Ni system, based on a quantitative LEED structure determination, which showed that the Mn atoms were displaced out of the surface by a substantial amount. This displacement was attributed to a large magnetic moment on the Mn atoms. The structure of the Mn-Ni surface alloy was proposed to be based on a bulk termination model. Magnetic measurements on the Mn-Ni surface alloys, however, showed conclusively that the magnetic structure of these surface alloys is completely different from the bulk alloy analogs. For example, bulk MnNi is an antiferromagnet, whereas the surface alloy is ferromagnetic. This suggests that the proposed structure based on bulk termination, may not be correct. X-ray Photoelectron Diffraction (XPD) techniques were used to investigate this structure, using both a comparison to multiple scattering calculations and photoelectron holography. In this article the authors present some of the results from the quantitative analysis of individual diffraction patterns by comparison to theory.

  4. Quantitative spectromicroscopy from inelastically scattered photoelectrons in the hard X-ray range

    Energy Technology Data Exchange (ETDEWEB)

    Renault, O., E-mail: olivier.renault@cea.fr; Zborowski, C.; Risterucci, P. [Univ. Grenoble Alpes, F-38000 Grenoble, France and CEA, LETI, MINATEC Campus, F-38054 Grenoble (France); Wiemann, C.; Schneider, C. M. [Peter Grünberg Institute (PGI-6) and JARA-FIT, Research Center Jülich, D-52425 Jülich (Germany); Grenet, G. [Institut des Nanotechnologies de Lyon, Ecole Centrale, 69134 Ecully Cedex (France); Tougaard, S. [Department of Physics, Chemistry and Pharmacy, University of Southern Denmark, DK-5230 Odense M (Denmark)

    2016-07-04

    We demonstrate quantitative, highly bulk-sensitive x-ray photoelectron emission microscopy by analysis of inelastically scattered photoelectrons in the hard X-ray range, enabling elemental depth distribution analysis in deeply buried layers. We show results on patterned structures used in electrical testing of high electron mobility power transistor devices with an epitaxial Al{sub 0.25}Ga{sub 0.75}N channel and a Ti/Al metal contact. From the image series taken over an energy range of up to 120 eV in the Ti 1s loss feature region and over a typical 100 μm field of view, one can accurately retrieve, using background analysis together with an optimized scattering cross-section, the Ti depth distribution from 14 nm up to 25 nm below the surface. The method paves the way to multi-elemental, bulk-sensitive 3D imaging and investigation of phenomena at deeply buried interfaces and microscopic scales by photoemission.

  5. Quantitative spectromicroscopy from inelastically scattered photoelectrons in the hard X-ray range

    Science.gov (United States)

    Renault, O.; Zborowski, C.; Risterucci, P.; Wiemann, C.; Grenet, G.; Schneider, C. M.; Tougaard, S.

    2016-07-01

    We demonstrate quantitative, highly bulk-sensitive x-ray photoelectron emission microscopy by analysis of inelastically scattered photoelectrons in the hard X-ray range, enabling elemental depth distribution analysis in deeply buried layers. We show results on patterned structures used in electrical testing of high electron mobility power transistor devices with an epitaxial Al0.25Ga0.75N channel and a Ti/Al metal contact. From the image series taken over an energy range of up to 120 eV in the Ti 1s loss feature region and over a typical 100 μm field of view, one can accurately retrieve, using background analysis together with an optimized scattering cross-section, the Ti depth distribution from 14 nm up to 25 nm below the surface. The method paves the way to multi-elemental, bulk-sensitive 3D imaging and investigation of phenomena at deeply buried interfaces and microscopic scales by photoemission.

  6. Photoelectron imaging of tetrahydrofuran cluster anions (THF)n- (1<=n<=100)

    Science.gov (United States)

    Young, Ryan M.; Yandell, Margaret A.; Niemeyer, Markus; Neumark, Daniel M.

    2010-10-01

    Anionic tetrahydrofuran clusters (THF)n- (1≤n≤100) are studied with photoelectron imaging as gas-phase precursors for electrons solvated in THF. Photoelectron spectra of clusters up to n =5 show two peaks, one of which is attributed to a solvated open chain radical anion and the other to the closed THF ring. At n =6, the spectra change shape abruptly, which become more characteristic of (THF)n- clusters containing solvated electrons. From n =6-100, the vertical detachment energies (VDEs) of these solvated electron clusters increase from 1.96 to 2.71 eV, scaling linearly with n-1/3. For fully deuterated (THF-d8)n- clusters, the apparent transition to a solvated electron cluster is delayed to n =11. Extrapolation of the VDEs to infinite cluster size yields a value of 3.10 eV for the bulk photoelectric threshold. The relatively large VDEs at onset and small stabilization with increasing cluster size compared to other solvated electron clusters may reflect the tendency of the bulk solvent to form preexisting voids that can readily solvate a free electron.

  7. Photoelectron imaging of tetrahydrofuran cluster anions (THF)(n) (-) (1≤n≤100).

    Science.gov (United States)

    Young, Ryan M; Yandell, Margaret A; Niemeyer, Markus; Neumark, Daniel M

    2010-10-21

    Anionic tetrahydrofuran clusters (THF)(n) (-) (1≤n≤100) are studied with photoelectron imaging as gas-phase precursors for electrons solvated in THF. Photoelectron spectra of clusters up to n=5 show two peaks, one of which is attributed to a solvated open chain radical anion and the other to the closed THF ring. At n=6, the spectra change shape abruptly, which become more characteristic of (THF)(n) (-) clusters containing solvated electrons. From n=6-100, the vertical detachment energies (VDEs) of these solvated electron clusters increase from 1.96 to 2.71 eV, scaling linearly with n(-1/3). For fully deuterated (THF-d8)(n) (-) clusters, the apparent transition to a solvated electron cluster is delayed to n=11. Extrapolation of the VDEs to infinite cluster size yields a value of 3.10 eV for the bulk photoelectric threshold. The relatively large VDEs at onset and small stabilization with increasing cluster size compared to other solvated electron clusters may reflect the tendency of the bulk solvent to form preexisting voids that can readily solvate a free electron.

  8. Photoelectron Imaging as a Quantum Chemistry Visualization Tool

    Science.gov (United States)

    Grumbling, Emily R.; Pichugin, Kostyantyn; Mabbs, Richard; Sanov, Andrei

    2011-01-01

    An overview and simple example of photoelectron imaging is presented, highlighting its efficacy as a pedagogical tool for visualizing quantum phenomena. Specifically, photoelectron imaging of H[superscript -] (the simplest negative ion) is used to demonstrate several quantum mechanical principles. This example could be incorporated into an…

  9. Spectroscopy of transient neutral species via negative ion photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Weaver, A.

    1991-12-01

    Negative ion photoelectron spectroscopy has been used to study two types of transient neutral species: bound free radicals (NO{sub 2} and NO{sub 3}) and unstable neutral species ([IHI] and [FH{sub 2}]). The negative ion time-of-flight photoelectron spectrometer used for these experiments is described in detail.

  10. Spectroscopy of transient neutral species via negative ion photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Weaver, A.

    1991-12-01

    Negative ion photoelectron spectroscopy has been used to study two types of transient neutral species: bound free radicals (NO{sub 2} and NO{sub 3}) and unstable neutral species ((IHI) and (FH{sub 2})). The negative ion time-of-flight photoelectron spectrometer used for these experiments is described in detail.

  11. 4f heavy fermion photoelectron spectra do not exhibit the Kondo scale

    Energy Technology Data Exchange (ETDEWEB)

    Arko, A.J.; Joyce, J.J.; Andrews, A.B.; Blyth, R.I.R.; Bartlett, R.J.; Fisk, Z. [Los Alamos National Lab., NM (United States); Canfield, P.C.; Olson, C.G.; Benning, P.J. [Iowa State Univ., Ames, IA (United States); Poirier, D.M.; Weaver, J.H. [Univ. of Minnesota, Minneapolis, MN (United States); Riseborough, P.S. [Polytechnic Univ., Brooklyn, NY (United States)

    1994-02-01

    It has been the authors contention for some time that the Single Impurity Anderson Model (SIAM), as extended by Gunnarsson and Schonhammer (GS), or the non-crossing approximation (NCA), does not correctly describe the 4f photoelectron spectra of heavy fermions. Recently, they have concentrated on Yb heavy fermions since in these materials the Kondo resonance (KR) is fully occupied and thus accessible via photoemission. In particular, they have repeatedly pointed out that the width, position, spectral weight, lineshape, and temperature dependence of the features assumed to be the KR and its sidebands, are nearly independent of the Kondo temperature, T{sub K}, while at the same time bearing a striking resemblance to the simple 4f core level spectra of pure Yb metal, or of Lu in isostructural Lu compounds. It is important to resolve these issues in view of the fundamental nature of the problem. Here, the authors chose to test the bulk vs. surface hypothesis by performing measurements on YbCu{sub 2}Si{sub 2} and YbAl{sub 3} single crystals at hv {approx} 120 eV (UPS) and hv {approx} 1,500 eV(XPS) to see if the n{sub f}, hole occupancy, values increase markedly at XPS energies as the electron escape depth increases by about a factor of 3--5. Measurements were performed at both 300K and 20K using single crystals cleaved in-situ, with photoelectrons collected in normal emission for maximum bulk sensitivity. UPS measurements were performed at NSLS and the University of Wisconsin SRC, while XPS measurements were done at the University of Minnesota. The UPS, ultraviolet photoelectron spectra, and the L{sub III} edge x-ray absorption and photoemission measurements are in fundamental disagreement.

  12. Photoelectron spectrometer for attosecond spectroscopy of liquids and gases

    Energy Technology Data Exchange (ETDEWEB)

    Jordan, I.; Huppert, M.; Wörner, H. J., E-mail: hwoerner@ethz.ch [Laboratory of Physical Chemistry, ETH Zurich, Vladimir-Prelog-Weg 2, 8093 Zurich (Switzerland); Brown, M. A. [Laboratory for Surface Science and Technology, Department of Materials, ETH Zurich, Vladimir-Prelog-Weg 5, 8093 Zurich (Switzerland); Bokhoven, J. A. van [Institute for Chemical and Bioengineering, ETH Zurich, Vladimir-Prelog-Weg 1, 8093 Zurich (Switzerland); Laboratory for Catalysis and Sustainable Chemistry, Paul Scherrer Institute, 5232 Villigen (Switzerland)

    2015-12-15

    A new apparatus for attosecond time-resolved photoelectron spectroscopy of liquids and gases is described. It combines a liquid microjet source with a magnetic-bottle photoelectron spectrometer and an actively stabilized attosecond beamline. The photoelectron spectrometer permits venting and pumping of the interaction chamber without affecting the low pressure in the flight tube. This pressure separation has been realized through a sliding skimmer plate, which effectively seals the flight tube in its closed position and functions as a differential pumping stage in its open position. A high-harmonic photon spectrometer, attached to the photoelectron spectrometer, exit port is used to acquire photon spectra for calibration purposes. Attosecond pulse trains have been used to record photoelectron spectra of noble gases, water in the gas and liquid states as well as solvated species. RABBIT scans demonstrate the attosecond resolution of this setup.

  13. Global nonresonant vibrational-photoelectron coupling in molecular photoionization

    Science.gov (United States)

    Poliakoff, Erwin; Das, Aloke; Hardy, David; Bozek, John; Aguilar, Alex; Lucchese, Robert

    2009-05-01

    Using photoelectron spectroscopy and Schwinger variational scattering theory, we have investigated the coupling between vibrational motion and the exiting photoelectron over extended ranges of photoelectron kinetic energy. Photoelectron spectroscopy is performed with vibrational resolution over uncommonly large ranges of energy (ca. 200 eV). We find clear and significant changes in vibrational branching ratios as a function of photon energy, in direct contradiction to predictions of the Franck-Condon principle. While it is well known that resonances lead to coupling between electronic and vibrational degrees of freedom, nonresonant mechanisms that result in such coupling are not expected or well-documented. Photoelectron spectra are presented for several electronic states of N2^+, CO^+, and NO^+, and we find that valence isoelectronic channels behave very differently, which is also surprising. Theoretical results indicate that Cooper minima are the underlying cause of these effects, and we are currently working to understand the reasons for the sensitivity of the Cooper minima on bond length.

  14. Threshold photoelectron spectroscopy of the imidogen radical

    Energy Technology Data Exchange (ETDEWEB)

    Garcia, Gustavo A., E-mail: gustavo.garcia@synchrotron-soleil.fr [Synchrotron SOLEIL, L’Orme des Merisiers, St. Aubin, BP 48, 91192 Gif sur Yvette (France); Gans, Bérenger [Institut des Sciences Moléculaires d’Orsay, Univ Paris-Sud, CNRS, Bât 210, Univ Paris-Sud, 91405 Orsay Cedex (France); Tang, Xiaofeng [Synchrotron SOLEIL, L’Orme des Merisiers, St. Aubin, BP 48, 91192 Gif sur Yvette (France); Ward, Michael; Batut, Sébastien [PC2A, Université de Lille 1, UMR CNRS-USTL 8522, Cité Scientifique Bât. C11, F-59655 Villeneuve d’Ascq (France); Nahon, Laurent [Synchrotron SOLEIL, L’Orme des Merisiers, St. Aubin, BP 48, 91192 Gif sur Yvette (France); Fittschen, Christa [PC2A, Université de Lille 1, UMR CNRS-USTL 8522, Cité Scientifique Bât. C11, F-59655 Villeneuve d’Ascq (France); Loison, Jean-Christophe [ISM, Université de Bordeaux, CNRS, 351 cours de la Libération, 33405 Talence Cedex (France)

    2015-08-15

    We present the threshold photoelectron spectroscopy of the imidogen radical (NH) recorded in the photon energy region up to 1 eV above its first ionization threshold. The radical was produced by reaction of NH{sub 3} and F in a microwave discharge flow-tube and photoionized using vacuum ultraviolet (VUV) synchrotron radiation. A double imaging coincidence spectrometer was used to record mass-selected spectra and avoid contributions from the byproducts present in the reactor and background gas. The energy region includes the ground X{sup +2}Π and first electronically excited a{sup +4}Σ{sup −} states of NH{sup +}. Strong adiabatic transitions and weak vibrational progressions up to v{sup +} = 2 are observed for both electronic states. The rotational profile seen in the origin band has been modeled using existing neutral and cationic spectroscopic constants leading to a precise determination of the adiabatic ionization energy at 13.480 ± 0.002 eV.

  15. Photoelectron Imaging of OXIDE.VOC Clusters

    Science.gov (United States)

    Patros, Kellyn M.; Mann, Jennifer; Chick Jarrold, Caroline

    2016-06-01

    Perturbations of the bare O2- and O4- electronic structure arising from VOC (VOC = hexane, isoprene, benzene and benzene.D6) interactions are investigated using anion photoelectron imaging at 2.33 and 3.49 eV photon energies. Trends observed from comparing features in the spectra include VOC-identity-dependent electron affinities of the VOC complexes relative to the bare oxide clusters, due to enhance stability in the anion complex relative to the neutral. Autodetachment is observed in all O4-.VOC spectra and only isoprene with O2-. In addition, the intensities of transitions to states correlated with the singlet states of O2 neutral via detachment from the O2-.VOC anion complexes show dramatic VOC-identity variations. Most notably, benzene as a complex partner significantly enhances these transitions relative to O2- and O2-.hexane. A less significant enhancement is also observed in the O2-.isoprene complex. This enhancement may be due to the presence of low-lying triplet states in the complex partners.

  16. Photoelectron spectroscopy of strongly correlated Yb compounds

    Energy Technology Data Exchange (ETDEWEB)

    Joyce, J.J.; Andrews, A.B.; Arko, A.J.; Bartlett, R.J.; Blythe, R.I. [Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States); Olson, C.G.; Benning, P.J.; Canfield, P.C. [Ames Laboratory, U. S. Department of Energy, Ames, Iowa 50011 (United States); Poirier, D.M. [Department of Chemical Engineering and Materials Science, University of Minnesota, Minneapolis, Minnesota 55455 (United States)

    1996-12-01

    The electronic properties of the Yb compounds YBCu{sub 2}Si{sub 2}, YBAgCu{sub 4}, and YbAl{sub 3} along with purely divalent Yb metal, have been investigated by means of high-resolution ultraviolet and x-ray photoelectron spectroscopy. We present the intrinsic characteristic features of the 4{ital f} levels of Yb while accounting for lattice vibrations and the manifestation of corelike energy levels degenerate with the valence states and modified by the temperature-dependent Fermi function. For these strongly correlated Yb-based compounds, the hole occupancy values ({ital n}{sub {ital f}}{approximately}0.6) directly obtained from integration of the divalent and trivalent portions of the 4{ital f} photoemission features indicate that these compounds are strongly mixed valent. The small intensity modulation with temperature in the divalent Yb 4{ital f} levels (0{endash}10{percent} over a {ital T}=20{minus}300 K range) is discussed within the conventional framework of the photoemission process and nominal allowances for lattice variations with temperature. Results from photoemission experiments on the divalent 4{ital f} levels of strongly correlated Yb compounds are remarkably similar to the 4{ital f} levels of purely divalent Yb metal. {copyright} {ital 1996 The American Physical Society.}

  17. Bulk chemicals from biomass

    NARCIS (Netherlands)

    Haveren, van J.; Scott, E.L.; Sanders, J.P.M.

    2008-01-01

    Given the current robust forces driving sustainable production, and available biomass conversion technologies, biomass-based routes are expected to make a significant impact on the production of bulk chemicals within 10 years, and a huge impact within 20-30 years. In the Port of Rotterdam there is a

  18. Auctioning Bulk Mobile Messages

    NARCIS (Netherlands)

    S. Meij (Simon); L-F. Pau (Louis-François); H.W.G.M. van Heck (Eric)

    2003-01-01

    textabstractThe search for enablers of continued growth of SMS traffic, as well as the take-off of the more diversified MMS message contents, open up for enterprises the potential of bulk use of mobile messaging , instead of essentially one-by-one use. In parallel, such enterprises or value added

  19. Bulk chemicals from biomass

    NARCIS (Netherlands)

    Haveren, van J.; Scott, E.L.; Sanders, J.P.M.

    2008-01-01

    Given the current robust forces driving sustainable production, and available biomass conversion technologies, biomass-based routes are expected to make a significant impact on the production of bulk chemicals within 10 years, and a huge impact within 20-30 years. In the Port of Rotterdam there is a

  20. Perovskite oxides: Oxygen electrocatalysis and bulk structure

    Science.gov (United States)

    Carbonio, R. E.; Fierro, C.; Tryk, D.; Scherson, D.; Yeager, Ernest

    1987-01-01

    Perovskite type oxides were considered for use as oxygen reduction and generation electrocatalysts in alkaline electrolytes. Perovskite stability and electrocatalytic activity are studied along with possible relationships of the latter with the bulk solid state properties. A series of compounds of the type LaFe(x)Ni1(-x)O3 was used as a model system to gain information on the possible relationships between surface catalytic activity and bulk structure. Hydrogen peroxide decomposition rate constants were measured for these compounds. Ex situ Mossbauer effect spectroscopy (MES), and magnetic susceptibility measurements were used to study the solid state properties. X ray photoelectron spectroscopy (XPS) was used to examine the surface. MES has indicated the presence of a paramagnetic to magnetically ordered phase transition for values of x between 0.4 and 0.5. A correlation was found between the values of the MES isomer shift and the catalytic activity for peroxide decomposition. Thus, the catalytic activity can be correlated to the d-electron density for the transition metal cations.

  1. Bimolecular reaction dynamics from photoelectron spectroscopy of negative ions

    Energy Technology Data Exchange (ETDEWEB)

    Bradforth, S.E.

    1992-11-01

    The transition state region of a neutral bimolecular reaction may be experimentally investigated by photoelectron spectroscopy of an appropriate negative ion. The photoelectron spectrum provides information on the spectroscopy and dynamics of the short lived transition state and may be used to develop model potential energy surfaces that are semi-quantitative in this important region. The principles of bound {yields} bound negative ion photoelectron spectroscopy are illustrated by way of an example: a full analysis of the photoelectron bands of CN{sup {minus}}, NCO{sup {minus}} and NCS{sup {minus}}. Transition state photoelectron spectra are presented for the following systems Br + HI, Cl + HI, F + HI, F + CH{sub 3}0H,F + C{sub 2}H{sub 5}OH,F + OH and F + H{sub 2}. A time dependent framework for the simulation and interpretation of the bound {yields} free transition state photoelectron spectra is subsequently developed and applied to the hydrogen transfer reactions Br + HI, F + OH {yields} O({sup 3}P, {sup 1}D) + HF and F + H{sub 2}. The theoretical approach for the simulations is a fully quantum-mechanical wave packet propagation on a collinear model reaction potential surface. The connection between the wavepacket time evolution and the photoelectron spectrum is given by the time autocorrelation function. For the benchmark F + H{sub 2} system, comparisons with three-dimensional quantum calculations are made.

  2. Photoelectron diffraction k-space volumes of the c(2x2) Mn/Ni(100) structure

    Energy Technology Data Exchange (ETDEWEB)

    Banerjee, S.; Denlinger, J.; Chen, X. [Univ. of Wisconsin, Milwaukee, WI (United States)] [and others

    1997-04-01

    Traditionally, x-ray photoelectron diffraction (XPD) studies have either been done by scanning the diffraction angle for fixed kinetic energy (ADPD), or scanning the kinetic energy at fixed exit angle (EDPD). Both of these methods collect subsets of the full diffraction pattern, or volume, which is the intensity of photoemission as a function of momentum direction and magnitude. With the high density available at the Spectromicroscopy Facility (BL 7.0) {open_quotes}ultraESCA{close_quotes} station, the authors are able to completely characterize the photoelectron diffraction patterns of surface structures, up to several hundred electron volts kinetic energy. This large diffraction `volume` can then be analyzed in many ways. The k-space volume contains as a subset the energy dependent photoelectron diffraction spectra along all emission angles. It also contains individual, hemispherical, diffraction patterns at specific kinetic energies. Other `cuts` through the data set are also possible, revealing new ways of viewing photoelectron diffraction data, and potentially new information about the surface structure being studied. In this article the authors report a brief summary of a structural study being done on the c(2x2) Mn/Ni(100) surface alloy. This system is interesting for both structural and magnetic reasons. Magnetically, the Mn/Ni(100) surface alloy exhibits parallel coupling of the Mn and Ni moments, which is opposite to the reported coupling for the bulk, disordered, alloy. Structurally, the Mn atoms are believed to lie well above the surface plane.

  3. Zero kinetic energy photoelectron spectroscopy of pyrene.

    Science.gov (United States)

    Zhang, Jie; Han, Fangyuan; Kong, Wei

    2010-10-28

    We report zero kinetic energy photoelectron (ZEKE) spectroscopy of pyrene via resonantly enhanced multiphoton ionization. Our analysis centers on the symmetry of the first electronically excited state (S(1)), its vibrational modes, and the vibration of the ground cationic state (D(0)). From comparisons between the observed vibrational frequencies and those from ab initio calculations at the configuration interaction singles level using the 6-311G (d,p) basis set, and based on other previous experimental and theoretical reports, we confirm the (1)B(2u) symmetry for the S(1) state. This assignment represents a reversal in the energy order of the two closely spaced electronically excited states from our theoretical calculation, and extensive configuration interactions are attributed to this result. Among the observed vibrational levels of the S(1) state, three are results of vibronic coupling due to the nearby second electronically excited state. The ZEKE spectroscopy obtained via the vibronic levels of the S(1) state reveals similar modes for the cation as those of the intermediate state. Although we believe that the ground ionic state can be considered a single electron configuration, the agreement between theoretical and experimental frequencies for the cation is limited. This result is somewhat surprising based on our previous work on cata-condensed polycyclic aromatic hydrocarbons and small substituted aromatic compounds. Although a relatively small molecule, pyrene demonstrates its nonrigidity via several out-of-plane bending modes corresponding to corrugation of the molecular plane. The adiabatic ionization potential of neutral pyrene is determined to be 59 888 ± 7 cm(-1).

  4. Radiative Bulk Viscosity

    CERN Document Server

    Chen, X

    2001-01-01

    Viscous resistance to changes in the volume of a gas arises when different degrees of freedom have different relaxation times. Collisions tend to oppose the resulting departures from equilibrium and, in so doing, generate entropy. Even for a classical gas of hard spheres, when the mean free paths or mean flight times of constituent particles are long, we find a nonvanishing bulk viscosity. Here we apply a method recently used to uncover this result for a classical rarefied gas to radiative transfer theory and derive an expression for the radiative stress tensor for a gray medium with absorption and Thomson scattering. We determine the transport coefficients through the calculation of the comoving entropy generation. When scattering dominates absorption, the bulk viscosity becomes much larger than either the shear viscosity or the thermal conductivity.

  5. Insights into electrochemical reactions from ambient pressure photoelectron spectroscopy.

    Science.gov (United States)

    Stoerzinger, Kelsey A; Hong, Wesley T; Crumlin, Ethan J; Bluhm, Hendrik; Shao-Horn, Yang

    2015-11-17

    The understanding of fundamental processes in the bulk and at the interfaces of electrochemical devices is a prerequisite for the development of new technologies with higher efficiency and improved performance. One energy storage scheme of great interest is splitting water to form hydrogen and oxygen gas and converting back to electrical energy by their subsequent recombination with only water as a byproduct. However, kinetic limitations to the rate of oxygen-based electrochemical reactions hamper the efficiency in technologies such as solar fuels, fuel cells, and electrolyzers. For these reactions, the use of metal oxides as electrocatalysts is prevalent due to their stability, low cost, and ability to store oxygen within the lattice. However, due to the inherently convoluted nature of electrochemical and chemical processes in electrochemical systems, it is difficult to isolate and study individual electrochemical processes in a complex system. Therefore, in situ characterization tools are required for observing related physical and chemical processes directly at the places where and while they occur and can help elucidate the mechanisms of charge separation and charge transfer at electrochemical interfaces. X-ray photoelectron spectroscopy (XPS), also known as ESCA (electron spectroscopy for chemical analysis), has been used as a quantitative spectroscopic technique that measures the elemental composition, as well as chemical and electronic state of a material. Building from extensive ex situ characterization of electrochemical systems, initial in situ studies were conducted at or near ultrahigh vacuum (UHV) conditions (≤10(-6) Torr) to probe solid-state electrochemical systems. However, through the integration of differential-pumping stages, XPS can now operate at pressures in the torr range, comprising a technique called ambient pressure XPS (AP-XPS). In this Account, we briefly review the working principles and current status of AP-XPS. We use several recent

  6. The Electron-Phonon Interaction as Studied by Photoelectron Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    D.W. Lynch

    2004-09-30

    With recent advances in energy and angle resolution, the effects of electron-phonon interactions are manifest in many valence-band photoelectron spectra (PES) for states near the Fermi level in metals.

  7. Distant ionospheric photoelectron energy peak observations at Venus

    Science.gov (United States)

    Coates, A. J.; Wellbrock, A.; Frahm, R. A.; Winningham, J. D.; Fedorov, A.; Barabash, S.; Lundin, R.

    2015-08-01

    The dayside of the Venus ionosphere at the top of the planet's thick atmosphere is sustained by photoionization. The consequent photoelectrons may be identified by specific peaks in the energy spectrum at 20-30 eV which are mainly due to atomic oxygen photoionization. The ASPERA-4 electron spectrometer has an energy resolution designed to identify the photoelectron production features. Photoelectrons are seen not only in their production region, the sunlit ionosphere, but also at more distant locations on the nightside of the Venus environment. Here, we present a summary of the work to date on observations of photoelectrons at Venus, and their comparison with similar processes at Titan and Mars. We expand further by presenting new examples of the distant photoelectrons measured at Venus in the dark tail and further away from Venus than seen before. The photoelectron and simultaneous ion data are then used to determine the ion escape rate from Venus for one of these intervals. We compare the observed escape rates with other rates measured at Venus, and at other planets, moons and comets. We find that the escape rates are grouped by object type when plotted against body radius.

  8. Advancements in time-resolved x-ray laser induced time-of-flight photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Nelson, A J; Dunn, J; Widmann, K; Ao, T; Ping, Y; Hunter, J; Ng, A

    2005-07-28

    Time-resolved soft x-ray photoelectron spectroscopy is used to probe the non-steady-state evolution of the valence band electronic structure of laser heated ultra-thin (50 nm) metal foils and bulk semiconductors. Single-shot soft x-ray laser induced time-of-flight photoelectron spectroscopy with picosecond time resolution was used in combination with optical measurements of the disassembly dynamics that have shown the existence of a metastable liquid phase in fs-laser heated metal foils persisting 4-5 ps. This metastable phase is studied using a 527 nm wavelength 400 fs laser pulse containing 0.3-2.5 mJ laser energy focused in a large 500 x 700 {micro}m{sup 2} spot to create heated conditions of 0.2-1.8 x 10{sup 12} W cm{sup -2} intensity. The unique LLNL COMET compact tabletop soft x-ray laser source provided the necessary high photon flux, highly monoenergetic, picosecond pulse duration, and coherence for observing the evolution of changes in the valence band electronic structure of laser heated metals and semiconductors with picosecond time resolution. This work demonstrates the continuing development of a powerful new technique for probing reaction dynamics and changes of local order on surfaces on their fundamental timescales including phenomena such as non-thermal melting, chemical bond formation, intermediate reaction steps, and the existence of transient reaction products.

  9. Ionospheric photoelectrons: Comparing Venus, Earth, Mars and Titan

    Science.gov (United States)

    Coates, A. J.; Tsang, S. M. E.; Wellbrock, A.; Frahm, R. A.; Winningham, J. D.; Barabash, S.; Lundin, R.; Young, D. T.; Crary, F. J.

    2011-08-01

    The sunlit portion of planetary ionospheres is sustained by photoionization. This was first confirmed using measurements and modelling at Earth, but recently the Mars Express, Venus Express and Cassini-Huygens missions have revealed the importance of this process at Mars, Venus and Titan, respectively. The primary neutral atmospheric constituents involved (O and CO 2 in the case of Venus and Mars, O and N 2 in the case of Earth and N 2 in the case of Titan) are ionized at each object by EUV solar photons. This process produces photoelectrons with particular spectral characteristics. The electron spectrometers on Venus Express and Mars Express (part of ASPERA-3 and 4, respectively) were designed with excellent energy resolution (Δ E/ E=8%) specifically in order to examine the photoelectron spectrum. In addition, the Cassini CAPS electron spectrometer at Saturn also has adequate resolution (Δ E/ E=16.7%) to study this population at Titan. At Earth, photoelectrons are well established by in situ measurements, and are even seen in the magnetosphere at up to 7 RE. At Mars, photoelectrons are seen in situ in the ionosphere, but also in the tail at distances out to the Mars Express apoapsis (˜3 RM). At both Venus and Titan, photoelectrons are seen in situ in the ionosphere and in the tail (at up to 1.45 RV and 6.8 RT, respectively). Here, we compare photoelectron measurements at Earth, Venus, Mars and Titan, and in particular show examples of their observation at remote locations from their production point in the dayside ionosphere. This process is found to be common between magnetized and unmagnetized objects. We discuss the role of photoelectrons as tracers of the magnetic connection to the dayside ionosphere, and their possible role in enhancing ion escape.

  10. Self-assembled heterogeneous argon/neon core-shell clusters studied by photoelectron spectroscopy.

    Science.gov (United States)

    Lundwall, M; Pokapanich, W; Bergersen, H; Lindblad, A; Rander, T; Ohrwall, G; Tchaplyguine, M; Barth, S; Hergenhahn, U; Svensson, S; Björneholm, O

    2007-06-01

    Clusters formed by a coexpansion process of argon and neon have been studied using synchrotron radiation. Electrons from interatomic Coulombic decay as well as ultraviolet and x-ray photoelectron spectroscopy were used to determine the heterogeneous nature of the clusters and the cluster structure. Binary clusters of argon and neon produced by coexpansion are shown to exhibit a core-shell structure placing argon in the core and neon in the outer shells. Furthermore, the authors show that 2 ML of neon on the argon core is sufficient for neon valence band formation resembling the neon solid. For 1 ML of neon the authors observe a bandwidth narrowing to about half of the bulk value.

  11. Bulk-Fill Resin Composites

    DEFF Research Database (Denmark)

    Benetti, Ana Raquel; Havndrup-Pedersen, Cæcilie; Honoré, Daniel;

    2015-01-01

    the restorative procedure. The aim of this study, therefore, was to compare the depth of cure, polymerization contraction, and gap formation in bulk-fill resin composites with those of a conventional resin composite. To achieve this, the depth of cure was assessed in accordance with the International Organization...... for Standardization 4049 standard, and the polymerization contraction was determined using the bonded-disc method. The gap formation was measured at the dentin margin of Class II cavities. Five bulk-fill resin composites were investigated: two high-viscosity (Tetric EvoCeram Bulk Fill, SonicFill) and three low......-viscosity (x-tra base, Venus Bulk Fill, SDR) materials. Compared with the conventional resin composite, the high-viscosity bulk-fill materials exhibited only a small increase (but significant for Tetric EvoCeram Bulk Fill) in depth of cure and polymerization contraction, whereas the low-viscosity bulk...

  12. Tracking ultrafast relaxation dynamics of furan by femtosecond photoelectron imaging

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Yuzhu, E-mail: yuzhu.liu@gmail.com [School of Physics and Optoelectronic Engineering, Nanjing University of Information Science and Technology, Nanjing 210044 (China); Knopp, Gregor [Paul Scherrer Institute, Villigen 5232 (Switzerland); Qin, Chaochao [Department of Physics, Henan Normal University, Xinxiang 453007 (China); Gerber, Thomas [Paul Scherrer Institute, Villigen 5232 (Switzerland)

    2015-01-13

    Graphical abstract: - Highlights: • Relaxation dynamics of furan are tracked by femtosecond photoelectron imaging. • The mechanism for ultrafast formation of α-carbene and β-carbene is proposed. • Ultrafast internal conversion from S{sub 2} to S{sub 1} is observed. • The transient characteristics of the fragment ions are obtained. • Single-color multi-photon ionization dynamics at 800 nm are also studied. - Abstract: Ultrafast internal conversion dynamics of furan has been studied by femtosecond photoelectron imaging (PEI) coupled with photofragmentation (PF) spectroscopy. Photoelectron imaging of single-color multi-photon ionization and two-color pump–probe ionization are obtained and analyzed. Photoelectron bands are assigned to the related states. The time evolution of the photoelectron signal by pump–probe ionization can be well described by a biexponential decay: two rapid relaxation pathways with time constants of ∼15 fs and 85 (±11) fs. The rapid relaxation is ascribed to the ultrafast internal conversion (IC) from the S{sub 2} state to the vibrationally hot S{sub 1} state. The second relaxation process is attributed to the redistributions and depopulation of secondarily populated high vibronic S{sub 1} state and the formation of α-carbene and β-carbene by H immigration. Additionally, the transient characteristics of the fragment ions are also measured and discussed as a complementary understanding.

  13. Explosive bulk charge

    Energy Technology Data Exchange (ETDEWEB)

    Miller, Jacob Lee

    2015-04-21

    An explosive bulk charge, including: a first contact surface configured to be selectively disposed substantially adjacent to a structure or material; a second end surface configured to selectively receive a detonator; and a curvilinear side surface joining the first contact surface and the second end surface. The first contact surface, the second end surface, and the curvilinear side surface form a bi-truncated hemispherical structure. The first contact surface, the second end surface, and the curvilinear side surface are formed from an explosive material. Optionally, the first contact surface and the second end surface each have a substantially circular shape. Optionally, the first contact surface and the second end surface consist of planar structures that are aligned substantially parallel or slightly tilted with respect to one another. The curvilinear side surface has one of a smooth curved geometry, an elliptical geometry, and a parabolic geometry.

  14. The Incredible Bulk

    CERN Document Server

    Fukushima, Keita; Kumar, Jason; Sandick, Pearl; Yamamoto, Takahiro

    2014-01-01

    Recent experimental results from the LHC have placed strong constraints on the masses of colored superpartners. The MSSM parameter space is also constrained by the measurement of the Higgs boson mass, and the requirement that the relic density of lightest neutralinos be consistent with observations. Although large regions of the MSSM parameter space can be excluded by these combined bounds, leptophilic versions of the MSSM can survive these constraints. In this paper we consider a scenario in which the requirements of minimal flavor violation, vanishing $CP$-violation, and mass universality are relaxed, specifically focusing on scenarios with light sleptons. We find a large region of parameter space, analogous to the original bulk region, for which the lightest neutralino is a thermal relic with an abundance consistent with that of dark matter. We find that these leptophilic models are constrained by measurements of the magnetic and electric dipole moments of the electron and muon, and that these models have ...

  15. Creating bulk nanocrystalline metal.

    Energy Technology Data Exchange (ETDEWEB)

    Fredenburg, D. Anthony (Georgia Institute of Technology, Atlanta, GA); Saldana, Christopher J. (Purdue University, West Lafayette, IN); Gill, David D.; Hall, Aaron Christopher; Roemer, Timothy John (Ktech Corporation, Albuquerque, NM); Vogler, Tracy John; Yang, Pin

    2008-10-01

    Nanocrystalline and nanostructured materials offer unique microstructure-dependent properties that are superior to coarse-grained materials. These materials have been shown to have very high hardness, strength, and wear resistance. However, most current methods of producing nanostructured materials in weapons-relevant materials create powdered metal that must be consolidated into bulk form to be useful. Conventional consolidation methods are not appropriate due to the need to maintain the nanocrystalline structure. This research investigated new ways of creating nanocrystalline material, new methods of consolidating nanocrystalline material, and an analysis of these different methods of creation and consolidation to evaluate their applicability to mesoscale weapons applications where part features are often under 100 {micro}m wide and the material's microstructure must be very small to give homogeneous properties across the feature.

  16. Bulk sensitive hard x-ray photoemission electron microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Patt, M., E-mail: m.patt@fz-juelich.de; Wiemann, C. [Peter Grünberg Institute (PGI-6) and JARA-FIT, Research Center Jülich, D-52425 Jülich (Germany); Weber, N.; Escher, M.; Merkel, M. [Focus GmbH, Neukirchner Str. 2, D-65510 Hünstetten (Germany); Gloskovskii, A.; Drube, W. [DESY Photon Science, Deutsches Elektronen-Synchrotron, D-22603 Hamburg (Germany); Schneider, C. M. [Peter Grünberg Institute (PGI-6) and JARA-FIT, Research Center Jülich, D-52425 Jülich (Germany); Fakultät f. Physik and Center for Nanointegration Duisburg-Essen (CeNIDE), Universität Duisburg-Essen, D-47048 Duisburg (Germany)

    2014-11-15

    Hard x-ray photoelectron spectroscopy (HAXPES) has now matured into a well-established technique as a bulk sensitive probe of the electronic structure due to the larger escape depth of the highly energetic electrons. In order to enable HAXPES studies with high lateral resolution, we have set up a dedicated energy-filtered hard x-ray photoemission electron microscope (HAXPEEM) working with electron kinetic energies up to 10 keV. It is based on the NanoESCA design and also preserves the performance of the instrument in the low and medium energy range. In this way, spectromicroscopy can be performed from threshold to hard x-ray photoemission. The high potential of the HAXPEEM approach for the investigation of buried layers and structures has been shown already on a layered and structured SrTiO{sub 3} sample. Here, we present results of experiments with test structures to elaborate the imaging and spectroscopic performance of the instrument and show the capabilities of the method to image bulk properties. Additionally, we introduce a method to determine the effective attenuation length of photoelectrons in a direct photoemission experiment.

  17. A new photoelectron imager for X-ray astronomical polarimetry

    Energy Technology Data Exchange (ETDEWEB)

    La Monaca, A. [INFN, Laboratori Nazionali di Frascati, Rome (Italy); Costa, E; Soffitta, P.; Di Persio, G.; Manzan, M.; Martino, B.; Patria, G. [CNR, Rome (Italy). Ist. di Astrofisica Spaziale; Cappuccio, G. [CNR, Monterotondo (Italy). Ist. di Strutturistica Chimica]|[INFN, Laboratori Nazionali di Frascati, Rome (Italy); Zema, N. [CNR, Rome (Italy). Ist. di Struttura della Materia

    1998-04-01

    A new photoelectron imager for X-ray astronomical polarimetry (PIAP) has been developed and tested at the Frascati (Rome, Italy) National Laboratories of National Institute of Nuclear Physics (LNF-INFN). A charge-coupled device (CCD) is placed on one of the two conjugate foci of a Cassegrain reflective optics onto which are focused UV photons emitted by means of gas scintillation. This X-ray detector has been built to image the angular distribution of the photoelectron tracks, whose anisotropy measures the X-ray polarization. First tests, performed by using mixtures based on argon gas and benzene at low pressure, show events which are candidate tracks of photoelectrons and Auger electrons produced by a {sup 55}Fe source.

  18. Immobilization of the Enzyme Glucose Oxidase on Both Bulk and Porous SiO2 Surfaces

    Directory of Open Access Journals (Sweden)

    Fulvia Sinatra

    2008-09-01

    Full Text Available Silicon dioxide surfaces, both bulk and porous, were used to anchor the enzyme glucose oxidase. The immobilization protocol was optimized and the samples characterized using X-ray Photoelectron Spectroscopy, Energy Dispersive X-rays coupled to scanning electron microscopy and enzymatic activity measurements. We show that a uniform layer was obtained by activating the oxide before immobilization. X-ray Photoelectron Spectroscopy measurements carried out on bulk oxide showed that the silicon substrate signal was fully screened after the enzyme deposition showing the absence of uncovered surface regions. The enzyme presence was detected monitoring both the C 1s and N 1s signals. Finally, enzymatic activity measurements confirmed that the glucose oxidase activity was preserved after immobilization and maintained after three months of shelf life if the sample was properly stored. The importance of using porous silicon oxide to maximize the surface area was also evidenced.

  19. Developing bulk exchange spring magnets

    Energy Technology Data Exchange (ETDEWEB)

    Mccall, Scott K.; Kuntz, Joshua D.

    2017-06-27

    A method of making a bulk exchange spring magnet by providing a magnetically soft material, providing a hard magnetic material, and producing a composite of said magnetically soft material and said hard magnetic material to make the bulk exchange spring magnet. The step of producing a composite of magnetically soft material and hard magnetic material is accomplished by electrophoretic deposition of the magnetically soft material and the hard magnetic material to make the bulk exchange spring magnet.

  20. Recent progress of soft X-ray photoelectron spectroscopy studies of uranium compounds

    Energy Technology Data Exchange (ETDEWEB)

    Fujimori, Shin-ichi; Takeda, Yukiharu; Okane, Tetsuo; Saitoh, Yuji [Condensed Matter Science Divisions, Japan Atomic Energy Agency, Sayo, Hyogo (Japan); Fujimori, Atsushi [Condensed Matter Science Divisions, Japan Atomic Energy Agency, Sayo, Hyogo (Japan); Department of Physics, University of Tokyo, Hongo, Tokyo 113-0033 (Japan); Yamagami, Hiroshi [Condensed Matter Science Divisions, Japan Atomic Energy Agency, Sayo, Hyogo (Japan); Department of Physics, Faculty of Science, Kyoto Sangyo University, Kyoto 603-8555 (Japan); Yamamoto, Etsuji; Haga, Yoshinori [Advanced Science Research Center, Japan Atomic Energy Agency, Tokai, Ibaraki 319-1195 (Japan); Ōnuki, Yoshichika [Advanced Science Research Center, Japan Atomic Energy Agency, Tokai, Ibaraki 319-1195 (Japan); Faculty of Science, University of the Ryukyus, Nishihara, Okinawa 903-0213 (Japan)

    2016-04-15

    Recent progresses in the soft X-ray photoelectron spectroscopy (PES) studies (hν ≳ 100 eV) for uranium compounds are briefly reviewed. The soft X-ray PES has enhanced sensitivities for the bulk U 5f electronic structure, which is essential to understand the unique physical properties of uranium compounds. In particular, the recent remarkable improvement in energy resolutions from an order of 1 eV to 100 meV made it possible to observe fine structures in U 5f density of states. Furthermore, soft X-ray ARPES becomes available due to the increase of photon flux at beamlines in third generation synchrotron radiation facilities.The technique made it possible to observe bulk band structures and Fermi surfaces of uranium compounds and therefore, the results can be directly compared with theoretical models such as band-structure calculations. The core-level spectra of uranium compounds show a systematic behavior depending on their electronic structures, suggesting that they can be utilized to determine basic physical parameters such as the U 5f-ligand hybridizations or Comlomb interaction between U 5f electrons. It is shown that soft X-ray PES provides unique opportunities to understand the electronic structures of uranium compounds.

  1. Graphene defect formation by extreme ultraviolet generated photoelectrons

    NARCIS (Netherlands)

    Gao, An; Lee, Christopher James; Bijkerk, Frederik

    2014-01-01

    We have studied the effect of photoelectrons on defect formation in graphene during extreme ultraviolet (EUV) irradiation. Assuming the major role of these low energy electrons, we have mimicked the process by using low energy primary electrons. Graphene is irradiated by an electron beam with energy

  2. Photoelectron spectroscopy in heavy fermions: Inconsistencies with the Kondo model

    Energy Technology Data Exchange (ETDEWEB)

    Arko, A.J.; Joyce, J.J.; Blyth, R.R.; Canfield, P.C.; Thompson, J.D.; Bartlett, R.J.; Fisk, Z. [Los Alamos National Lab., NM (United States); Lawrence, J.; Tang, J. [California Univ., Irvine, CA (United States); Riseborough, P. [Polytechnic Univ., Brooklyn, NY (United States)

    1992-09-01

    We have investigated a number of Ce and Yb heavy fermion compounds via photoelectron spectroscopy and compared the results to the predictions of the Imurity Anderson Hamiltonian within the Gunnarson-Schonhammer approach. For the low T{sub K} materials investigated we find little or no correlation with T{sub K}, the only parameter that can be determined independent of photoemission.

  3. Surface Reactions Studied by Synchrotron Based Photoelectron Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Hrbek, J.

    1998-11-03

    The goal of this article is to illustrate the use of synchrotron radiation for investigating surface chemical reactions by photoelectron spectroscopy. A brief introduction and background information is followed by examples of layer resolved spectroscopy, oxidation and sulfidation of metallic, semiconducting and oxide surfaces.

  4. Graphene defect formation by extreme ultraviolet generated photoelectrons

    NARCIS (Netherlands)

    Gao, A.; Lee, C. J.; F. Bijkerk,

    2014-01-01

    We have studied the effect of photoelectrons on defect formation in graphene during extreme ultraviolet (EUV) irradiation. Assuming the major role of these low energy electrons, we have mimicked the process by using low energy primary electrons. Graphene is irradiated by an electron beam with energy

  5. Negative ion photoelectron spectroscopic studies of transition metal cluster

    Science.gov (United States)

    Marcy, Timothy Paul

    The studies reported in this thesis were performed using a negative ion photoelectron spectrometer consisting of a cold cathode DC discharge ion source, a flowing afterglow ion-molecule reactor, a magnetic sector mass analyzer, an argon ion laser for photodetachment and a hemispherical electron kinetic energy analyzer and microchannel plate detector for photoelectron spectrum generation. The 476.5 nm (2.601 eV), 488.0 nm (2.540 eV) and 514.5 nm (2.410 eV) negative ion photoelectron spectra of VMn are reported and compared to the previously studied spectra of isoelectronic Cr2.1 The photoelectron spectra are remarkably similar to those of Cr2 in electron affinity and vibrational frequencies. The 488.0 nm photoelectron spectra and electron affinities of Nb n- (n = 1 - 9) are reported with discussion of observed vibrational structure. There are transitions to several electronic states of Nb2 in the reported spectra with overlapping vibrational progressions. The spectra of Nb3, Nb4 and Nb6 show partially resolved vibrational structure in the transitions to the lowest observed electronic state of each cluster. There is a single distinct active vibrational mode in the transition to the ground state of Nb8. Spin-orbit energies of Nb- are also reported. The 488.0 nm negative ion photoelectron spectra of Nb3H(D) are reported and compared to those of Nb3. There is a single vibrational mode active in the spectra of Nb3H(D) which is very similar to the most distinct mode active in the spectrum of Nb3. The 488.0 nm photoelectron spectra of the NbxCyH(D) y- (x = 1, 2, 3, y = 2, 4, 6) dehydrogenated products of the reactions of ethylene with niobium cluster anions are reported. Temperature studies of some of these species give evidence for the presence of multiple isomers of each molecule in the ion beam. The spectra of NbC6H(D) 6 are identical to those obtained from the reactions of benzene with niobium clusters and indicate that benzene is being formed from ethylene in the flow

  6. Brane Couplings from Bulk Loops

    OpenAIRE

    Georgi, Howard; Grant, Aaron K.; Hailu, Girma

    2000-01-01

    We compute loop corrections to the effective action of a field theory on a five-dimensional $S_1/Z_2$ orbifold. We find that the quantum loop effects of interactions in the bulk produce infinite contributions that require renormalization by four-dimensional couplings on the orbifold fixed planes. Thus bulk couplings give rise to renormalization group running of brane couplings.

  7. Can bulk viscosity drive inflation

    Energy Technology Data Exchange (ETDEWEB)

    Pacher, T.; Stein-Schabes, J.A.; Turner, M.S.

    1987-09-15

    Contrary to other claims, we argue that bulk viscosity associated with the interactions of non- relativistic particles with relativistic particles around the time of the grand unified theory (GUT) phase transition cannot lead to inflation. Simply put, the key ingredient for inflation, negative pressure, cannot arise due to the bulk-viscosity effects of a weakly interacting mixture of relativistic and nonrelativistic particles.

  8. Attosecond streaking of photoelectron emission from disordered solids

    CERN Document Server

    Okell, W A; Fabris, D; Arrell, C A; Hengster, J; Ibrahimkutty, S; Seiler, A; Barthelmess, M; Stankov, S; Lei, D Y; Sonnefraud, Y; Rahmani, M; Uphues, Th; Maier, S A; Marangos, J P; Tisch, J W G

    2014-01-01

    Attosecond streaking of photoelectrons emitted by extreme ultraviolet light has begun to reveal how electrons behave during their transport within simple crystalline solids. Many sample types within nanoplasmonics, thin-film physics, and semiconductor physics, however, do not have a simple single crystal structure. The electron dynamics which underpin the optical response of plasmonic nanostructures and wide-bandgap semiconductors happen on an attosecond timescale. Measuring these dynamics using attosecond streaking will enable such systems to be specially tailored for applications in areas such as ultrafast opto-electronics. We show that streaking can be extended to this very general type of sample by presenting streaking measurements on an amorphous film of the wide-bandgap semiconductor tungsten trioxide, and on polycrystalline gold, a material that forms the basis of many nanoplasmonic devices. Our measurements reveal the near-field temporal structure at the sample surface, and photoelectron wavepacket te...

  9. Angular distribution and atomic effects in condensed phase photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Davis, R.F.

    1981-11-01

    A general concept of condensed phase photoelectron spectroscopy is that angular distribution and atomic effects in the photoemission intensity are determined by different mechanisms, the former being determined largely by ordering phenomena such as crystal momentum conservation and photoelectron diffraction while the latter are manifested in the total (angle-integrated) cross section. In this work, the physics of the photoemission process is investigated in several very different experiments to elucidate the mechanisms of, and correlation between, atomic and angular distribution effects. Theoretical models are discussed and the connection betweeen the two effects is clearly established. The remainder of this thesis, which describes experiments utilizing both angle-resolved and angle-integrated photoemission in conjunction with synchrotron radiation in the energy range 6 eV less than or equal to h ..nu.. less than or equal to 360 eV and laboratory sources, is divided into three parts.

  10. Evolution of photoelectron-vibrational coupling with molecular complexity

    Energy Technology Data Exchange (ETDEWEB)

    Poliakoff, E D [Department of Chemistry, Louisiana State University, Baton Rouge, LA 70803 (United States); Lucchese, R R [Department of Chemistry, Texas A and M University, College Station, TX 77843 (United States)

    2006-11-15

    We review how electronic and vibrational degrees of freedom become coupled in molecular photoionization, and describe effects that emerge as the molecular complexity increases. Molecular photoionization is frequently influenced by the temporary trapping of the continuum electron in the field of the target molecules, which is referred to as a shape resonance, as it depends on the shape of the potential experienced by the exiting photoelectron. Such resonances couple electronic and vibrational motion, and the nature of the coupling can vary widely for polyatomic molecules. We show how vibrationally resolved photoelectron spectra acquired as a function of energy can be used to elucidate such coupling. The experiments are analysed using physically realistic and computationally tractable Schwinger variational theory, and the systems studied to date can be well understood using an independent-particle, adiabatic nuclei framework. As a result, simple and intuitive pictures emerge, even when dealing with scattering phenomena involving complex molecular targets and potentials.

  11. A single photoelectron transistor for quantum optical communications

    CERN Document Server

    Kosaka, H; Robinson, H D; Bandaru, P; Makita, K; Yablonovitch, E B; Kosaka, Hideo; Rao, Deepak S.; Robinson, Hans D.; Bandaru, Prabhakar; Makita, Kikuo; Yablonovitch, Eli

    2003-01-01

    A single photoelectron can be trapped and its photoelectric charge detected by a source/drain channel in a transistor. Such a transistor photodetector can be useful for flagging the safe arrival of a photon in a quantum repeater. The electron trap can be photo-ionized and repeatedly reset for the arrival of successive individual photons. This single photoelectron transistor (SPT) operating at the lambda = 1.3 mu m tele-communication band, was demonstrated by using a windowed-gate double-quantum-well InGaAs/InAlAs/InP heterostructure that was designed to provide near-zero electron g-factor. The g-factor engineering allows selection rules that would convert a photon's polarization to an electron spin polarization. The safe arrival of the photo-electric charge would trigger the commencement of the teleportation algorithm.

  12. Optimal control of photoelectron emission by realistic waveforms

    CERN Document Server

    Solanpää, Janne; Räsänen, Esa

    2016-01-01

    Recent experimental techniques in multicolor waveform synthesis allow the temporal shaping of strong femtosecond laser pulses with applications in the control of quantum mechanical processes in atoms, molecules, and nanostructures. Prediction of the shapes of the optimal waveforms can be done computationally using quantum optimal control theory (QOCT). In this work we bring QOCT to experimental feasibility by providing an optimal control scheme with realistic pulse representation. We apply the technique to optimal control of above-threshold photoelectron emission from a one-dimensional hydrogen atom. By mixing different spectral channels and thus lowering the intensity requirements for individual channels, the resulting optimal pulses can extend the cutoff energies by at least up to 50% and bring up the electron yield by several orders of magnitude. Insights into the electron dynamics for optimized photoelectron emission are obtained with a semiclassical two-step model.

  13. Recent applications of hard x-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Weiland, Conan; Woicik, Joseph C., E-mail: Joseph.Woicik@NIST.gov [National Institute of Standards and Technology, Gaithersburg, Maryland 20899 (United States); Rumaiz, Abdul K. [National Synchrotron Light Source II, Brookhaven National Laboratory, Upton, New York 11973 (United States); Pianetta, Piero [SLAC National Accelerator Laboratory, Menlo Park, California 94025 (United States)

    2016-05-15

    Recent applications of hard x-ray photoelectron spectroscopy (HAXPES) demonstrate its many capabilities in addition to several of its limitations. Examples are given, including measurement of buried interfaces and materials under in situ or in operando conditions, as well as measurements under x-ray standing-wave and resonant excitation. Physical considerations that differentiate HAXPES from photoemission measurements utilizing soft x-ray and ultraviolet photon sources are also presented.

  14. Photoelectron spectroscopic study of carbon aluminum hydride cluster anions

    Science.gov (United States)

    Zhang, Xinxing; Wang, Haopeng; Ganteför, Gerd; Eichhorn, Bryan W.; Kiran, Boggavarapu; Bowen, Kit H.

    2016-10-01

    Numerous previously unknown carbon aluminum hydride cluster anions were generated in the gas phase, identified by time-of-flight mass spectrometry and characterized by anion photoelectron spectroscopy, revealing their electronic structure. Density functional theory calculations on the CAl5-9H- and CAl5-7H2- found that several of them possess unusually high carbon atom coordination numbers. These cluster compositions have potential as the basis for new energetic materials.

  15. A spin- and angle-resolving photoelectron spectrometer

    CERN Document Server

    Berntsen, M H; Leandersson, M; Hahlin, A; hlund, J \\AA; Wannberg, B; nsson, M M\\aa; Tjernberg, O

    2010-01-01

    A new type of hemispherical electron energy analyzer that permits angle and spin resolved photoelectron spectroscopy has been developed. The analyzer permits standard angle resolved spectra to be recorded with a two-dimensional detector in parallel with spin detection using a mini-Mott polarimeter. General design considerations as well as technical solutions are discussed and test results from the Au(111) surface state are presented.

  16. Experiments on the use of CCD's to detect photoelectron images

    Science.gov (United States)

    Choisser, J. P.

    1975-01-01

    Image tube design and processing requirements for building an ICCD are discussed. Work is under way at EVC for building an ICCD using the Fairchild CCD 201 (100 x 100) array, and progress will be reported. Demountable tests have been made, exposing parts of a CCD 201 to 15 kilovolt electrons over five radiation levels from approximately 10 to 1 million rads. Other tubes built by EVC over the last few years which successfully use semiconductors to detect photoelectrons will be described briefly.

  17. Magnetic connectivity and photoelectrons in the Venus plasma environment

    Science.gov (United States)

    Jarvinen, R.; Coates, A. J.; Zhang, T. L.; Barabash, S.; Fedorov, A.; Kallio, E.

    2012-09-01

    We present a preliminary study of the magnetic connection in the Venusian induced magnetosphere during events when the electron spectrometer (ELS/ASPERA-4) on Venus Express (VEX) has observed photoelectrons outside of the Venus dayside ionosphere. See Coates et al. (2008) for ionospheric photoelectron observations at Venus. We use the global HYB-Venus hybrid simulation (see Figure 1 upper panel) to model the Venus-solar wind interaction for the selected VEX orbits when these events have occurred. The upstream conditions in the simulation runs for the solar wind density and velocity are determined from the VEX/ASPERA-4 ion measurements and the upstream magnetic field is determined from the VEX/MAG magnetometer measurements (see, e.g., Jarvinen et al., 2009). Using the simulation solution we trace the magnetic connection to the orbit of the spacecraft. Further, we compare the intervals when the magnetic field connects the orbit and the Venus dayside ionosphere to the intervals when the ELS electron energy spectrum shows the signature of photoelectrons. Lower panel of Figure 1 shows two parameters used in the study to determine the magnetic connectivity along the VEX orbit are defined. hmin is the lowest altitude (from the planetary surface) of a field line connected to VEX. SZA(hmin) is the solar-zenith angle of the hmin point.

  18. Circular dichroism in photoelectron images from aligned nitric oxide molecules

    Science.gov (United States)

    Sen, Ananya; Pratt, S. T.; Reid, K. L.

    2017-07-01

    We have used velocity map photoelectron imaging to study circular dichroism of the photoelectron angular distributions (PADs) of nitric oxide following two-color resonance-enhanced two-photon ionization via selected rotational levels of the A 2Σ+, v'=0 state. By using a circularly polarized pump beam and a counter-propagating, circularly polarized probe beam, cylindrical symmetry is preserved in the ionization process, and the images can be reconstructed using standard algorithms. The velocity map imaging set up enables individual ion rotational states to be resolved with excellent collection efficiency, rendering the measurements considerably simpler to perform than previous measurements conducted with a conventional photoelectron spectrometer. The results demonstrate that circular dichroism is observed even when cylindrical symmetry is maintained, and serve as a reminder that dichroism is a general feature of the multiphoton ionization of atoms and molecules. The observed PADs are in good agreement with calculations based on parameters extracted from previous experimental results obtained by using a time-of-flight electron spectrometer.

  19. Identification of photoelectron energy peaks in Saturn's inner neutral torus

    Science.gov (United States)

    Schippers, P.; André, N.; Johnson, R. E.; Blanc, M.; Dandouras, I.; Coates, A. J.; Krimigis, S. M.; Young, D. T.

    2009-12-01

    We present observations from the Cassini Plasma Electron Spectrometer (CAPS/ELS) of characteristic peaks in the electron energy spectrum that are identified in the innermost regions of the Saturnian magnetosphere during low-latitude orbits of the Cassini spacecraft around Saturn. We show how a narrow electron energy peak at about 20 eV and a possible peak at about 42 eV can be extracted from the background in CAPS observations after the contamination from high-energy particles has been removed from the measurements. We estimate the density of the newly discovered electron population to be a small fraction (10%) of the electron density measured in the CAPS/ELS energy range, and a much smaller fraction (about 1%) of the total electron density measured by Radio and Plasma Wave Science since our measurements are affected by spacecraft negative potential. We suggest that this population corresponds to photoelectrons generated by the solar EUV photoionization of the extended cloud of neutral gas observed in these regions. We use pitch angle information to assess the near-equatorial source of these photoelectrons and a simple model of chemistry in order to further support our interpretation. Therefore, photoionization seems to be an additional process for plasma production in the innermost Saturnian magnetosphere. Finally, we mention that the comparison of the modeled and the observed photoelectron peak energies could be used to estimate the spacecraft potential in this region which is measured independently by the Langmuir Probe.

  20. Can bulk viscosity drive inflation

    Energy Technology Data Exchange (ETDEWEB)

    Pacher, T.; Stein-Schabes, J.A.; Turner, M.S.

    1987-04-01

    Contrary to other claims, we argue that, bulk viscosity associated with the interactions of nonrelativistic particles with relativistic particles around the time of the grand unified theory (GUT) phase transition cannot lead to inflation. Simply put, the key ingredient for inflation, negative pressure, cannot arise due to the bulk viscosity effects of a weakly-interacting mixture of relativistic and nonrelativistic particles. 13 refs., 1 fig.

  1. Corrosion behavior of bulk metallic glasses in different aqueous solutions

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    The corrosion behavior of as-cast fully amorphous, structural relaxed amorphous and crystallized Fe65.5Cr4Mo4Ga4P12C5B5.5 bulk metallic glasses (BMGs) in NaCl, HCl and NaOH solutions was investigated by electrochemical polarization and immersion methods. X-ray photoelectron spectroscopy measurements was used to analyze the changes of the elements on the alloy surface before and after immersion in various solutions. The corrosion resistance of the Fe65.5Cr4Mo4Ga4P12C5B5.5 BMG was better than its structural relaxation/crystallization counterparts and common alloys (such as stainless steel, carbonized steel, and steel) in the selected aqueous solutions. The high corrosion resistance of this alloy in corrosive solutions leads to the formation of Fe-, Cr- and Mo-enriched protective thin surface films.

  2. Photoelectron Spectroscopy Study of [Ta2B6]-: a Hexagonal Bipyramdial Cluster

    Science.gov (United States)

    Jian, Tian; Li, Weili; Romanescu, Constantin; Wang, Lai-Sheng

    2014-06-01

    It has been a long-sought goal in cluster science to discover stable atomic clusters as building blocks for cluster-assembled nanomaterials, as exemplified by the fullerenes and their subsequent bulk syntheses.[1,2] Clusters have also been considered as models to understand bulk properties, providing a bridge between molecular and solid-state chemistry.[3] Herein we report a joint photoelectron spectroscopy and theoretical study on the [Ta2B6]- and [Ta2B6] clusters.[4] The photoelectron spectrum of [Ta2B6]- displays a simple spectral pattern and a large HOMO-LUMO gap, suggesting its high symmetry. Theoretical calculations show that both the neutral and anion are D6h pyramidal. The chemical bonding analyses for [Ta2B6] revealed the nature of the B6 and Ta interactions and uncovered strong covalent bonding between B6 and Ta. The D6h-[TaB6Ta] gaseous cluster is reminiscent of the structural pattern in the ReB6X6Re core in the [(Cp*Re)2B6H4Cl2] and the TiB6Ti motif in the newly synthesized Ti7Rh4Ir2B8 solid-state compound.[5,6] The current work provides an intrinsic link between a gaseous cluster and motifs for solid materials. Continued investigations of the transition-metal boron clusters may lead to the discovery of new structural motifs involving pure boron clusters for the design of novel boride materials. Reference [1] H.W. Kroto, J. R. Heath, S. C. OBrien, R. F. Curl, R. E. Smalley, Nature 1985, 318, 162 - 163. [2] W. Krtschmer, L. D. Lamb, K. Fostiropoulos, D. R. Huffman, Nature 1990, 347, 354 - 358. [3] T. P. Fehlner, J.-F. Halet, J.-Y. Saillard, Molecular Clusters: A Bridge to Solid-State Chemitry, Cambridge University Press, UK, 2007. [4] W. L. Li, L. Xie, T. Jian, C. Romanescu, X. Huang, L.-S. Wang, Angew. Chem. Int. Ed. 2014, 126, 1312 - 1316. [5] B. Le Guennic, H. Jiao, S. Kahlal, J.-Y. Saillard, J.-F. Halet, S. Ghosh, M. Shang, A. M. Beatty, A. L. Rheingold, T. P. Fehlner, J. Am. Chem. Soc. 2004, 126, 3203 - 3217. [6] B. P. T. Fokwa, M. Hermus, Angew

  3. The influence of trapping centres on the photoelectron decay in silver halide

    Institute of Scientific and Technical Information of China (English)

    Li Xiao-Wei; Zhang Rong-Xiang; Liu Rong-Juan; Yang Shao-Peng; Han Li; Fu Guang-Sheng

    2006-01-01

    Photoelectron is the foundation of latent image formation, the decay process of photoelectrons is influenced by all kinds of trapping centres in silver halide. By analysing the mechanism of latent image formation it is found that electron trap, hole trap, and one kind of recombination centre where free electron and trapped hole recombine are the main trapping centres in silver halide. Different trapping centres have different influences on the photoelectron behaviour. The effects of all kinds of typical trapping centres on the decay of photoelectrons are systematically investigated by solving the photoelectron decay kinetic equations. The results are in agreement with those obtained in the microwave absorption dielectric spectrum experiment.

  4. Derivation of dielectric function and inelastic mean free path from photoelectron energy-loss spectra of amorphous carbon surfaces

    Science.gov (United States)

    David, Denis; Godet, Christian

    2016-11-01

    Photoelectron Energy Loss Spectroscopy (PEELS) is a highly valuable non destructive tool in applied surface science because it gives access to both chemical composition and electronic properties of surfaces, including the near-surface dielectric function. An algorithm is proposed for real materials to make full use of experimental X-ray photoelectron spectra (XPS). To illustrate the capabilities and limitations of this algorithm, the near-surface dielectric function ε(ℏω) of a wide range of amorphous carbon (a-C) thin films is derived from energy losses measured in XPS, using a dielectric response theory which relates ε(ℏω) and the bulk plasmon (BP) loss distribution. Self-consistent separation of bulk vs surface plasmon excitations, deconvolution of multiple BP losses and evaluation of Bethe-Born sensitivity factors for bulk and surface loss distributions are crucial to obtain several material parameters: (1) energy loss function for BP excitation, (2) dielectric function of the near-surface material (3-5 nm depth sensitivity), (3) inelastic mean free path, λP (E0), for plasmon excitation, (4) surface excitation parameter, (5) effective number NEFF of valence electrons participating in the plasma oscillation. This photoelectron energy loss spectra analysis has been applied to a-C and a-C:H films grown by physical and chemical methods with a wide range of (sp3/sp2 + sp3) hybridization, optical gap and average plasmon energy values. Different methods are assessed to accurately remove the photoemission peak tail at low loss energy (0-10 eV) due to many-body interactions during the photo-ionization process. The σ + π plasmon excitation represents the main energy-loss channel in a-C; as the C atom density decreases, λP (970 eV) increases from 1.22 nm to 1.6 nm, assuming a cutoff plasmon wavenumber given by a free electron model. The π-π* and σ-σ* transitions observed in the retrieved dielectric function are discussed as a function of the average (sp3/sp

  5. Looking for a bulk point

    CERN Document Server

    Maldacena, Juan; Zhiboedov, Alexander

    2015-01-01

    We consider Lorentzian correlators of local operators. In perturbation theory, singularities occur when we can draw a position-space Landau diagram with null lines. In theories with gravity duals, we can also draw Landau diagrams in the bulk. We argue that certain singularities can arise only from bulk diagrams, not from boundary diagrams. As has been previously observed, these singularities are a clear diagnostic of bulk locality. We analyze some properties of these perturbative singularities and discuss their relation to the OPE and the dimensions of double-trace operators. In the exact nonperturbative theory, we expect no singularity at these locations. We prove this statement in 1+1 dimensions by CFT methods.

  6. Momentum imaging of photofragments and photoelectrons using fast ion beams

    Energy Technology Data Exchange (ETDEWEB)

    Domesle, Christian

    2012-07-04

    Momentum imaging of photofragments and photoelectrons using fast ion beams - Within the framework of this thesis a method for break-up channel specific detection of the photoelectrons from photon-induced dissociation processes of fast moving molecular ion has been established. For this purpose, a novel saddlepoint electron spectrometer was commissioned while investigating the photodetachment dynamics on a fast moving beam of oxygen anions. For a complete detection of all outgoing reaction products emerging from the photolysis of small water clusters (H{sub 2}O){sub n}H{sup +}(n≤3) in the wavelength range of 13.5-40 nm a new fragment analyzing system has been developed and in combination with the novel saddle-point spectrometer applied, to investigate the dissociative photoionization of the hydronium (H{sub 3}O{sup +}) and the Zundel ion (H{sub 5}O{sub 2}{sup +}). In case of the hydronium ion, a binary H{sub 2}O{sup +}+H{sup +} and two three-body channels OH{sup +}+2H{sup +}, OH{sup +}+H{sup +}+H have been identified to be initiated by outer valence vacancies, where the binary channel is mainly triggered by the ionization of the 3a{sub 1} orbital and the three-body channels follow ionization from the 1e orbital. The photolysis of H{sub 5}O{sub 2}{sup +} is found to proceed via five prominent pathways, where for a large number of processes the hydronium ion is split off as a stable structural unit. Also here, the investigation of the photoelectron spectra revealed the prominent dissociation pathways to be initiated by outer valence vacancies.

  7. Bulk nano-crystalline alloys

    OpenAIRE

    T.-S. Chin; Lin, C. Y.; Lee, M.C.; R.T. Huang; S. M. Huang

    2009-01-01

    Bulk metallic glasses (BMGs) Fe–B–Y–Nb–Cu, 2 mm in diameter, were successfully annealed to become bulk nano-crystalline alloys (BNCAs) with α-Fe crystallite 11–13 nm in size. A ‘crystallization-and-stop’ model was proposed to explain this behavior. Following this model, alloy-design criteria were elucidated and confirmed successful on another Fe-based BMG Fe–B–Si–Nb–Cu, 1 mm in diameter, with crystallite sizes 10–40 nm. It was concluded that BNCAs can be designed in general by the proposed cr...

  8. Inversion of Strong Field Photoelectron Spectra for Molecular Orbital Imaging

    CERN Document Server

    Puthumpally-Joseph, R; Peters, M; Nguyen-Dang, T T; Atabek, O; Charron, E

    2016-01-01

    Imaging structures at the molecular level is a fast developing interdisciplinary research field that spans across the boundaries of physics and chemistry. High spatial resolution images of molecules can be obtained with photons or ultrafast electrons. In addition, images of valence molecular orbitals can be extracted via tomographic techniques based on the coherent XUV radiation emitted by a molecular gas exposed to an intense ultra-short infrared laser pulse. In this paper, we demonstrate that similar information can be obtained by inverting energy resolved photoelectron spectra using a simplified analytical model.

  9. Photoelectron spectroscopy of several lanthanide β-diketonates

    Energy Technology Data Exchange (ETDEWEB)

    Westcott, Barry L., E-mail: westcottb@ccsu.edu [Department of Chemistry and Biochemistry, Central Connecticut State University, New Britain, CT 06053 (United States); Seguin, Trevor J. [Department of Chemistry and Biochemistry, Central Connecticut State University, New Britain, CT 06053 (United States); Gruhn, Nadine E. [Department of Chemistry, University of Washington, Seattle, WA 98195 (United States)

    2014-03-01

    The valence region electronic structure of Ln(acac){sub 3} complexes (Ln = Nd, Tm, Pr; acac = acetylacetonate) is investigated using, principally, gas-phase ultraviolet photoelectron (PE) spectroscopy. Analysis of PE spectra focuses on the 7–12 eV region containing the first several ionization bands which likely contain metal f-ionizations and acac-based ionizations. These correspond to oxygen 2p-type orbitals and carbon 2p-type orbitals, which are equivalent to oxygen lone pairs and electrons from the pi-bond system of the ligand.

  10. Secondary-electron cascade in attosecond photoelectron spectroscopy from metals

    DEFF Research Database (Denmark)

    Baggesen, Jan Conrad; Madsen, Lars Bojer

    2009-01-01

    Attosecond spectroscopy is currently restricted to photon energies around 100 eV. We show that under these conditions, electron-electron scatterings, as the photoelectrons leave the metal, give rise to a tail of secondary electrons with lower energies and hence a significant background. We develop...... an analytical model based on an approximate solution to Boltzmann's transport equation to account for the amount and energy distribution of these secondary electrons. Our theory is in good agreement with the electron spectrum found in a recent attosecond streaking experiment. To suppress the background and gain...

  11. Criteria for the observation of strong-field photoelectron holography

    Energy Technology Data Exchange (ETDEWEB)

    Marchenko, T. [UPMC Universite Paris 06, CNRS, UMR 7614, Laboratoire de Chimie Physique Matiere et Rayonnement, 11 rue Pierre et Marie Curie, F-75005 Paris (France); Huismans, Y. [FOM-Institute AMOLF, Science Park 113, 1098 XG Amsterdam (Netherlands); Schafer, K. J. [Department of Physics and Astronomy, Louisiana State University, Baton Rouge, Louisiana 70803-4001 (United States); Vrakking, M. J. J. [FOM-Institute AMOLF, Science Park 113, 1098 XG Amsterdam (Netherlands); Max-Born-Institut, Max Born Strasse 2A, D-12489 Berlin (Germany)

    2011-11-15

    Photoelectron holography is studied experimentally and computationally using the ionization of ground-state xenon atoms by intense near-infrared radiation. A strong dependence of the occurrence of the holographic pattern on the laser wavelength and intensity is observed, and it is shown that the observation of the hologram requires that the ponderomotive energy U{sub p} is substantially larger than the photon energy. The holographic interference is therefore favored by longer wavelengths and higher laser intensities. Our results indicate that the tunneling regime is not a necessary condition for the observation of the holographic pattern, which can be observed under the conditions formally attributed to the multiphoton regime.

  12. Near surface composition of some alloys by X-ray photoelectron spectroscopy

    Indian Academy of Sciences (India)

    M Sreemany; T B Ghosh

    2001-10-01

    Chemical compositions of the alloys of CuNi (Cu0.10Ni0.90, Cu0.30Ni0.70, Cu0.70Ni0.30) and BiSb (Bi0.80Sb0.20, Bi0.64Sb0.34, Bi0.55Sb0.45) are determined by X-ray photoelectron spectroscopy. The stoichiometries are determined and are compared with the bulk compositions. Possible sources of systematic errors contributing to the results are discussed. Errors arising out of preferential etching in these alloys have been investigated. It has been inferred from such studies that the preferential etching does not enrich the surface composition with a particular component for the two systems reported here. Quantitative results of CuNi system indicate that the surface regions of the Cu0.70Ni0.30 alloy is Cu-rich, although no such evidence is observed in case of BiSb system.

  13. Light-induced atom desorption from glass surfaces characterized by X-ray photoelectron spectroscopy

    Science.gov (United States)

    Kumagai, Ryo; Hatakeyama, Atsushi

    2016-07-01

    We analyzed the surfaces of vitreous silica (quartz) and borosilicate glass (Pyrex) substrates exposed to rubidium (Rb) vapor by X-ray photoelectron spectroscopy (XPS) to understand the surface conditions of alkali metal vapor cells. XPS spectra indicated that Rb atoms adopted different bonding states in quartz and Pyrex. Furthermore, Rb atoms in quartz remained in the near-surface region, while they diffused into the bulk in Pyrex. For these characterized surfaces, we measured light-induced atom desorption (LIAD) of Rb atoms. Clear differences in time evolution, photon energy dependence, and substrate temperature dependence were found; the decay of LIAD by continuous ultraviolet irradiation for quartz was faster than that for Pyrex, a monotonic increase in LIAD with increasing photon energy from 1.8 to 4.3 eV was more prominent for quartz, and LIAD from quartz was more efficient at higher temperatures in the range from 300 to 580 K, while that from Pyrex was almost independent of temperature.

  14. X-ray photoelectron spectroscopy for wheat powders: measurement of surface chemical composition.

    Science.gov (United States)

    Saad, Moustafa; Gaiani, Claire; Mullet, Martine; Scher, Joel; Cuq, Bernard

    2011-03-09

    The functional properties of wheat powders depend largely on the surface characteristics of their particles. X-ray photoelectron spectroscopy (XPS) has been considered to investigate the surface composition of wheat powders. The objective of the present study is to evaluate the ability of XPS to discriminate wheat components and to calculate the surface composition of wheat powders. First, XPS surveys for the main wheat isolated components (starch, proteins, arabinoxylans, and lipids) were determined. XPS results demonstrate that it is able to distinguish wheat proteins, polysaccharides, and lipids, but it is not able to distinguish starch and arabinoxylan because of their similarity in chemical structure. The XPS analyses of simple reconstituted wheat flours based on two components (starch and protein) or three components (by adding arabinoxylan) demonstrated the ability of XPS to measure the surface composition of the wheat flours. The surface composition of native wheat flour demonstrated an overrepresentation of protein (54%) and lipids (44%) and an underrepresentation of starch (2%) compared to the bulk composition. Results are discussed with regard to difficulties in discriminating arabinoxylans and starch components.

  15. Structural evolution and stabilities of neutral and anionic clusters of lead sulfide: Joint anion photoelectron and computational studies

    Science.gov (United States)

    Koirala, Pratik; Kiran, Boggavarapu; Kandalam, Anil K.; Fancher, Charles. A.; de Clercq, Helen L.; Li, Xiang; Bowen, Kit. H.

    2011-10-01

    The geometric and electronic structures of both neutral and negatively charged lead sulfide clusters, (PbS)n/(PbS)n- (n = 2-10) were investigated in a combined anion photoelectron spectroscopy and computational study. Photoelectron spectra provided vertical detachment energies (VDEs) for the cluster anions and estimates of electron affinities (EA) for their neutral cluster counterparts, revealing a pattern of alternating EA and VDE values in which even n clusters exhibited lower EA and VDE values than odd n clusters up until n = 8. Computations found neutral lead sulfide clusters with even n to be thermodynamically more stable than their immediate (odd n) neighbors, with a consistent pattern also being found in their HOMO-LUMO gaps. Analysis of neutral cluster dissociation energies found the Pb4S4 cube to be the preferred product of the queried fragmentation processes, consistent with our finding that the lead sulfide tetramer exhibits enhanced stability; it is a magic number species. Beyond n = 10, computational studies showed that neutral (PbS)n clusters in the size range, n = 11-15, prefer two-dimensional stacking of face-sharing lead sulfide cubical units, where lead and sulfur atoms possess a maximum of five-fold coordination. The preference for six-fold coordination, which is observed in the bulk, was not observed at these cluster sizes. Taken together, the results show a preference for the formation of slightly distorted, fused cuboids among small lead sulfide clusters.

  16. In-situ observation of oxidation of Ti(0001) surface by real-time photoelectron spectroscopy using synchrotron radiation

    CERN Document Server

    Takakuwa, Y; Yoshigoe, A; Teraoka, Y; Mizuno, Y; Tonda, H; Homma, T

    2003-01-01

    Temperature dependence of the initial oxidation kinetics of Ti(0001) surface was investigated by low energy electron diffraction (LEED) and real-time photoelectron spectroscopy using synchrotron radiation of surface- and bulk-sensitive photon energies. LEED observation revealed that oxide layers grow epitaxially with different surface structures depending on temperature: 1x1 at 200degC and sq root 3 x sq root 3 at 400degC. From the oxygen uptake curve measured by O 1s photo-electron intensity, it was clarified that oxygen diffusion through the epitaxially grown oxide layer is significantly enhanced with raising temperature, making the oxide layer thicker than 70A at 400degC. The chemical shift components observed for Ti 2p showed that TiO sub 2 becomes predominant at the subsurface with O sub 2 dose, while the stoichiometry of oxide near the interface is maintained as TiO and Ti sub 2 O sub 3 , for both cases at 200degC and 400degC. Thus it is concluded that the epitaxial growth of a very thin oxide on the Ti...

  17. Silicon nanocrystals with high boron and phosphorus concentration hydrophilic shell—Raman scattering and X-ray photoelectron spectroscopic studies

    Energy Technology Data Exchange (ETDEWEB)

    Fujii, Minoru, E-mail: fujii@eedept.kobe-u.ac.jp; Sugimoto, Hiroshi; Hasegawa, Masataka; Imakita, Kenji [Department of Electrical and Electronic Engineering, Graduate School of Engineering, Kobe University, Rokkodai, Nada, Kobe 657-8501 (Japan)

    2014-02-28

    Boron (B) and phosphorus (P) codoped silicon (Si) nanocrystals, which exhibit very wide range tunable luminescence due to the donor to acceptor transitions and can be dispersed in polar liquids without organic ligands, are studied by Raman scattering and X-ray photoelectron spectroscopies. Codoped Si nanocrystals exhibit a Raman spectrum significantly different from those of intrinsic ones. First, the Raman peak energy is almost insensitive to the size and is very close to that of bulk Si crystal in the diameter range of 2.7 to 14 nm. Second, the peak is much broader than that of intrinsic ones. Furthermore, an additional broad peak, the intensity of which is about 20% of the main peak, appears around 650 cm{sup −1}. The peak can be assigned to local vibrational modes of substitutional B and B-P pairs, B clusters, B-interstitial clusters, etc. in Si crystal. The Raman and X-ray photoelectron spectroscopic studies suggest that a crystalline shell heavily doped with these species is formed at the surface of a codoped Si nanocrystal and it induces the specific properties, i.e., hydrophilicity, high-stability in water, high resistance to hydrofluoric acid, etc.

  18. Hard x-ray photoelectron spectroscopy equipment developed at beamline BL46XU of SPring-8 for industrial researches

    Energy Technology Data Exchange (ETDEWEB)

    Yasuno, Satoshi, E-mail: yasuno@spring8.or.jp; Koganezawa, Tomoyuki; Watanabe, Takeshi [Japan Synchrotron Radiation Research Institute, 1-1-1 Kouto, Sayo, Hyogo 679-5198 (Japan); Oji, Hiroshi [Japan Synchrotron Radiation Research Institute, 1-1-1 Kouto, Sayo, Hyogo 679-5198 (Japan); SPring-8 Service Co., Ltd., 1-20-5 Kouto, Shingu, Tatsuno, Hyogo 679-5165 (Japan)

    2016-07-27

    Hard X-ray photoelectron spectroscopy (HAXPES) is a powerful tool for investigating the chemical and electronic states of bulk and buried interface in a non-destructive manner due to the large probing depth of this technique. At BL46XU of SPring-8, there are two HAXPES systems equipped with different electron spectrometers, which can be utilized appropriately according to the purpose in various industrial researches. In this article, these systems are outlined, and two typical examples of HAXPES studies performed by them are presented, which focus on the silicidation at Ni/SiC interface and the energy distribution of interface states at SiO{sub 2}/a-InGaZnO.

  19. Thermodynamic equilibrium studies of nanocrystallite SrTiO3 grain boundaries by high temperature photoelectron spectroscopy

    Institute of Scientific and Technical Information of China (English)

    刘振祥; 谢侃

    2000-01-01

    Nanostructured strontium titanate (SrTiO3) thin films are studied by high temperature pho-toelectron spectroscopy and thermal gravimetric analysis. The results indicate that ion migration and redistribution as well as transformation between lattice oxygen and gas phase oxygen take place near the grain boundaries during thermodynamic equilibrium process, which lead to obvious variation of the surface composition with temperature. The lattice oxygen ions migrate from bulk to grain surface with temperature rising up; meanwhile Ti ions also migrate to grain surface and combine with oxygen ions forming Ti-O complex. An opposite process takes place during temperature falling down, but the latter process is much slower than the former one. A primary model is proposed to explain this phenomenon.

  20. Thermodynamic equilibrium studies of nanocrystallite SrTiO3 grain boundaries by high temperature photoelectron spectroscopy

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    Nanostructured strontium titanate (SrTiO3) thin films are studied by high temperature photoelectron spectroscopy and thermal gravimetric analysis. The results indicate that ion migration and redistribution as well as transformation between lattice oxygen and gas phase oxygen take place near the grain boundaries during thermodynamic equilibrium process, which lead to obvious variation of the surface composition with temperature. The lattice oxygen ions migrate from bulk to grain surface with temperature rising up; meanwhile Ti ions also migrate to grain surface and combine with oxygen ions forming Ti-O complex. An opposite process takes place during temperature falling down, but the latter process is much slower than the former one. A primary model is proposed to explain this phenomenon.

  1. Photoelectron spectroscopic study on monolayer pentacene thin-film/polar ZnO single-crystal hybrid interface

    Science.gov (United States)

    Nagata, Takahiro; Nakamura, Tatsuru; Hayakawa, Ryoma; Yoshimura, Takeshi; Oh, Seungjun; Hiroshiba, Nobuya; Chikyow, Toyohiro; Fujimura, Norifumi; Wakayama, Yutaka

    2017-02-01

    The polarity effects of ZnO on the electronic state of a monolayer pentacene/ZnO interface were investigated by X-ray photoelectron spectroscopy (XPS). XPS revealed that the Zn-polar ZnO (Zn-ZnO) strongly depleted electrons in pentacene at the interface. The O-polar ZnO showed greater electron transfer from ZnO to pentacene than Zn-ZnO. The surface potential of pentacene on ZnO was larger than that of bulk pentacene regardless of the ZnO polarity. These findings indicate that the polarity of ZnO has the potential to control the electronic state of the organic/inorganic semiconductor interface.

  2. Longitudinal bulk acoustic mass sensor

    DEFF Research Database (Denmark)

    Hales, Jan Harry; Teva, Jordi; Boisen, Anja

    2009-01-01

    A polycrystalline silicon longitudinal bulk acoustic cantilever is fabricated and operated in air at 51 MHz. A mass sensitivity of 100 Hz/fg (1 fg=10(-15) g) is obtained from the preliminary experiments where a minute mass is deposited on the device by means of focused ion beam. The total noise...

  3. Bulk viscosity and deflationary universes

    CERN Document Server

    Lima, J A S; Waga, I

    2007-01-01

    We analyze the conditions that make possible the description of entropy generation in the new inflationary model by means of a nearequilibrium process. We show that there are situations in which the bulk viscosity cannot describe particle production during the coherent field oscillations phase.

  4. The Universe With Bulk Viscosity

    Institute of Scientific and Technical Information of China (English)

    2003-01-01

    Exact solutions for a model with variable G, A and bulk viscosity areobtained. Inflationary solutions with constant (de Sitter-type) and variable energydensity are found. An expanding anisotropic universe is found to isotropize duringits expansion but a static universe cannot isotropize. The gravitational constant isfound to increase with time and the cosmological constant decreases with time asAo∝t-2.

  5. Particle Simulations of the Guard Electrode Effects on the Photoelectron Distribution Around an Electric Field Sensor

    Science.gov (United States)

    Miyake, Y.; Usui, H.; Kojima, H.

    2010-12-01

    In tenuous space plasma environment, photoelectrons emitted due to solar illumination produce a high-density photoelectron cloud localized in the vicinity of a spacecraft body and an electric field sensor. The photoelectron current emitted from the sensor has also received considerable attention because it becomes a primary factor in determining floating potentials of the sunlit spacecraft and sensor bodies. Considering the fact that asymmetric photoelectron distribution between sunlit and sunless sides of the spacecraft occasionally causes a spurious sunward electric field, we require quantitative evaluation of the photoelectron distribution around the spacecraft and its influence on electric field measurements by means of a numerical approach. In the current study, we applied the Particle-in-Cell plasma simulation to the analysis of the photoelectron environment around spacecraft. By using the PIC modeling, we can self-consistently consider the plasma kinetics. This enables us to simulate the formation of the photoelectron cloud as well as the spacecraft and sensor charging in a self-consistent manner. We report the progress of an analysis on photoelectron environment around MEFISTO, which is an electric field instrument for the BepiColombo/MMO spacecraft to Mercury’s magnetosphere. The photoelectron guard electrode is a key technology for ensuring an optimum photoelectron environment. We show some simulation results on the guard electrode effects on surrounding photoelectrons and discuss a guard operation condition for producing the optimum photoelectron environment. We also deal with another important issue, that is, how the guard electrode can mitigate an undesirable influence of an asymmetric photoelectron distribution on electric field measurements.

  6. New type of silicon photoelectronic negative resistance devices: PDUBAT

    Science.gov (United States)

    Sha, Yanan; Varadan, Vijay K.; Varadan, Vasundara V.; Li, Shuyong; Guo, Weilian; Zheng, Yunguang

    2001-08-01

    Photoelectronic DUal Base Transistor (PDUBAT) is a novel kind of photoelectronic negative resistance devices, which features 'N' type negative resistance and small negative resistance RN. PDUBAT consists of a vertical NPN bipolar transistor and a P type diffusion region with large area over a specific distance. The base and collector of the vertical NPN BJT with a large P diffusion region form a lateral PNP BJT. The emitter and collector of the vertical NPN BJT are connected to the ground and voltage supply respectively, while the P diffusion region is left floated to detect input light signal. When the device is exposed to light, a large number of electron-hole pairs are generated at the PN junction under the P diffusion region. The holes travel along the base of the lateral PNP BJT and become the driving current of the vertical NPN BJT. In experiments, we found that PDUBAT acts as a pulse oscillator without the load of inductors, whose frequency and magnitude are modulated by the intensity of incident light. The oscillating frequency increases while the magnitude decreases with the increasing of light intensity. The manufacturing process of PDUBAT is compatible with that of JBTs, so that it can be incorporated with the ICs.

  7. Photoelectron spectroscopy of a series of acetate and propionate esters

    Science.gov (United States)

    Śmiałek, Małgorzata A.; Guthmuller, Julien; MacDonald, Michael A.; Zuin, Lucia; Delwiche, Jacques; Hubin-Franskin, Marie-Jeanne; Lesniewski, Tadeusz; Mason, Nigel J.; Limão-Vieira, Paulo

    2017-10-01

    The electronic state and photoionization spectroscopy of a series of acetate esters: methyl acetate, isopropyl acetate, butyl acetate and pentyl acetate as well as two propionates: methyl propionate and ethyl propionate, have been determined using vacuum-ultraviolet photoelectron spectroscopy. These experimental investigations are complemented by ab initio calculations. The measured first adiabatic and vertical ionization energies were determined as: 10.21 and 10.45 eV for methyl acetate, 9.99 and 10.22 eV for isopropyl acetate, 10.07 and 10.26 eV for butyl acetate, 10.01 and 10.22 eV for pentyl acetate, 10.16 and 10.36 eV for methyl propionate and 9.99 and 10.18 eV for ethyl propionate. For the four smaller esters vibrational transitions were calculated and compared with those identified in the photoelectron spectrum, revealing the most distinctive ones to be a Csbnd O stretch combined with a Cdbnd O stretch. The ionization energies of methyl and ethyl esters as well as for a series of formates and acetates were compared showing a clear dependence of the value of the ionization energy on the size of the molecule with very little influence of its conformation.

  8. Determination of the photoelectron reference plane in nanostructured surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Lobo-Checa, Jorge; Mugarza, Aitor [Centre d' Investigacio en Nanociencia i Nanotecnologia, CIN2 (CSIC-ICN), Esfera UAB, Campus de la UAB, 08193-Bellaterra (Spain); Ortega, Jose Enrique [Dpto Fisica Aplicada I, Universidad del PaIs Vasco, E-20018 San Sebastian (Spain); Michel, Enrique G, E-mail: jorge.lobo@cin2.es [Dpto de Fisica de la Materia Condensada and Instituto Universitario de Ciencia de Materiales ' Nicolas Cabrera' , Universidad Autonoma de Madrid, 28049 Madrid (Spain)

    2011-10-15

    In angle-resolved photoemission (ARPES) from crystalline solids, wave-vector conservation applies to the two-dimensional (2D) surface, which may thus be defined as the reference plane in ARPES. We investigate whether such reference varies for photoemitted electrons in nanometer-sized systems that expose different crystal planes. To this aim, we exploit the structural tunability of the Ag/Cu(223) system which is capable of offering surfaces with periodic arrays of nanofacets of varying size and orientation. A thorough, photon-energy-dependent analysis of the surface states confined to such nanostructures is performed comparing different reference planes for photoemitted electrons. Assuming the premise that k{sub ||} must be a good quantum number for 2D states, we conclude that the (final state) photoelectron reference direction is not the average optical direction but the local facet that confines the (initial state) surface electrons. Moreover, in the general case of nanostructured systems with uneven surfaces, we show how the photoelectron reference plane can be empirically determined through such a photon-energy-dependent ARPES analysis. (paper)

  9. Perovskite-type oxides - Oxygen electrocatalysis and bulk structure

    Science.gov (United States)

    Carbonio, R. E.; Fierro, C.; Tryk, D.; Scherson, D.; Yeager, E.

    1988-01-01

    Perovskite type oxides were considered for use as oxygen reduction and generation electrocatalysts in alkaline electrolytes. Perovskite stability and electrocatalytic activity are studied along with possible relationships of the latter with the bulk solid state properties. A series of compounds of the type LaFe(x)Ni1(-x)O3 was used as a model system to gain information on the possible relationships between surface catalytic activity and bulk structure. Hydrogen peroxide decomposition rate constants were measured for these compounds. Ex situ Mossbauer effect spectroscopy (MES), and magnetic susceptibility measurements were used to study the solid state properties. X ray photoelectron spectroscopy (XPS) was used to examine the surface. MES has indicated the presence of a paramagnetic to magnetically ordered phase transition for values of x between 0.4 and 0.5. A correlation was found between the values of the MES isomer shift and the catalytic activity for peroxide decomposition. Thus, the catalytic activity can be correlated to the d-electron density for the transition metal cations.

  10. Cohesion and device reliability in organic bulk heterojunction photovoltaic cells

    KAUST Repository

    Brand, Vitali

    2012-04-01

    The fracture resistance of P3HT:PC 60BM-based photovoltaic devices are characterized using quantitative adhesion and cohesion metrologies that allow identification of the weakest layer or interface in the device structure. We demonstrate that the phase separated bulk heterojunction layer is the weakest layer and report quantitative cohesion values which ranged from ∼1 to 20 J m -2. The effects of layer thickness, composition, and annealing treatments on layer cohesion are investigated. Using depth profiling and X-ray photoelectron spectroscopy on the resulting fracture surfaces, we examine the gradient of molecular components through the thickness of the bulk heterojunction layer. Finally, using atomic force microscopy we show how the topography of the failure path is related to buckling of the metal electrode and how it develops with annealing. The research provides new insights on how the molecular design, structure and composition affect the cohesive properties of organic photovoltaics. © 2011 Elsevier B.V. All rights reserved.

  11. Electronic structure of β-Ga{sub 2}O{sub 3} single crystals investigated by hard X-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Li, Guo-Ling [School of Physics and Engineering, Henan University of Science and Technology, Luoyang 471023 (China); Zhang, Fabi; Guo, Qixin, E-mail: guoq@cc.saga-u.ac.jp [Synchrotron Light Application Center, Department of Electrical and Electronic Engineering, Saga University, Saga 840-8502 (Japan); Cui, Yi-Tao [Synchrotron Radiation Research Organization, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656 (Japan); Oji, Hiroshi; Son, Jin-Young [Industrial Application Division, Japan Synchrotron Radiation Institute/SPring8, 1-1-1 Kouto, Sayo-cho, Sayo-gun, Hyogo 679-5198 (Japan); SPring-8 Service Co., Ltd., 2-23-1 Kouto, Kamigori-cho, Ako-gun, Hyogo 678-1205 (Japan)

    2015-07-13

    By combination of hard X-ray photoelectron spectroscopy (HAXPES) and first-principles band structure calculations, the electronic states of β-Ga{sub 2}O{sub 3} were investigated to deepen the understanding of bulk information for this compound. The valence band spectra of HAXPES presented the main contribution from Ga 4sp, which are well represented by photoionization cross section weighted partial density of states. The experimental data complemented with the theoretical study yield a realistic picture of the electronic structure for β-Ga{sub 2}O{sub 3}.

  12. Oxidation and surface segregation of chromium in Fe–Cr alloys studied by Mössbauer and X-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Idczak, R., E-mail: ridczak@ifd.uni.wroc.pl; Idczak, K.; Konieczny, R.

    2014-09-15

    The room temperature {sup 57}Fe Mössbauer and XPS spectra were measured for polycrystalline iron-based Fe–Cr alloys. The spectra were collected using three techniques: the transmission Mössbauer spectroscopy (TMS), the conversion electron Mössbauer spectroscopy (CEMS) and the X-ray photoelectron spectroscopy (XPS). The combination of these experimental techniques allows to determine changes in Cr concentration and the presence of oxygen in bulk, in the 300 nm pre-surface layer and on the surface of the studied alloys.

  13. Stability of bulk metallic glass structure

    Energy Technology Data Exchange (ETDEWEB)

    Jain, H.; Williams, D.B.

    2003-06-18

    The fundamental origins of the stability of the (Pd-Ni){sub 80}P{sub 20} bulk metallic glasses (BMGs), a prototype for a whole class of BMG formers, were explored. While much of the properties of their BMGs have been characterized, their glass-stability have not been explained in terms of the atomic and electronic structure. The local structure around all three constituent atoms was obtained, in a complementary way, using extended X-ray absorption fine structure (EXAFS), to probe the nearest neighbor environment of the metals, and extended energy loss fine structure (EXELFS), to investigate the environment around P. The occupied electronic structure was investigated using X-ray photoelectron spectroscopy (XPS). The (Pd-Ni){sub 80}P{sub 20} BMGs receive their stability from cumulative, and interrelated, effects of both atomic and electronic origin. The stability of the (Pd-Ni){sub 80}P{sub 20} BMGs can be explained in terms of the stability of Pd{sub 60}Ni{sub 20}P{sub 20} and Pd{sub 30}Ni{sub 50}P{sub 20}, glasses at the end of BMG formation. The atomic structure in these alloys is very similar to those of the binary phosphide crystals near x=0 and x=80, which are trigonal prisms of Pd or Ni atoms surrounding P atoms. Such structures are known to exist in dense, randomly-packed systems. The structure of the best glass former in this series, Pd{sub 40}Ni{sub 40}P{sub 20} is further described by a weighted average of those of Pd{sub 30}Ni{sub 50}P{sub 20} and Pd{sub 60}Ni{sub 20}P{sub 20}. Bonding states present only in the ternary alloys were found and point to a further stabilization of the system through a negative heat of mixing between Pd and Ni atoms. The Nagel and Tauc criterion, correlating a decrease in the density of states at the Fermi level with an increase in the glass stability, was consistent with greater stability of the Pd{sub x}Ni{sub (80-x)}P{sub 20} glasses with respect to the binary alloys of P. A valence electron concentration of 1.8 e/a, which

  14. Attosecond photoelectron spectroscopy of electron transport in solids

    Energy Technology Data Exchange (ETDEWEB)

    Magerl, Elisabeth

    2011-03-31

    Time-resolved photoelectron spectroscopy of condensed matter systems in the attosecond regime promises new insights into excitation mechanisms and transient dynamics of electrons in solids. This timescale became accessible directly only recently with the development of the attosecond streak camera and of laser systems providing few-cycle, phase-controlled laser pulses in the near-infrared, which are used to generate isolated, sub-femtosecond extreme-ultraviolet pulses with a well-defined timing with respect to the near-infrared pulse. Employing these pulses, the attosecond streak camera offers time resolutions as short as a few 10 attoseconds. In the framework of this thesis, a new, versatile experimental apparatus combining attosecond pulse generation in gases with state of the art surface science techniques is designed, constructed, and commissioned. Employing this novel infrastructure and the technique of the attosecond transient recorder, we investigate transport phenomena occurring after photoexcitation of electrons in tungsten and rhenium single crystals and show that attosecond streaking is a unique method for resolving extremely fast electronic phenomena in solids. It is demonstrated that electrons originating from different energy levels, i.e. from the conduction band and the 4f core level, are emitted from the crystal surface at different times. The origin of this time delay, which is below 150 attoseconds for all studied systems, is investigated by a systematic variation of several experimental parameters, in particular the photon energy of the employed attosecond pulses. These experimental studies are complemented by theoretical studies of the group velocity of highly-excited electrons based on ab initio calculations. While the streaking technique applied on single crystals can provide only information about the relative time delay between two types of photoelectrons, the absolute transport time remains inaccessible. We introduce a scheme of a reference

  15. Cosmic bulk viscosity through backreaction

    CERN Document Server

    Barbosa, Rodrigo M; Zimdahl, Winfried; Piattella, Oliver F

    2015-01-01

    We consider an effective viscous pressure as the result of a backreaction of inhomogeneities within Buchert's formalism. The use of an effective metric with a time-dependent curvature radius allows us to calculate the luminosity distance of the backreaction model. This quantity is different from its counterpart for a "conventional" spatially flat bulk viscous fluid universe. Both expressions are tested against the SNIa data of the Union2.1 sample with only marginally different results.

  16. Bulk Superconductors in Mobile Application

    Science.gov (United States)

    Werfel, F. N.; Delor, U. Floegel-; Rothfeld, R.; Riedel, T.; Wippich, D.; Goebel, B.; Schirrmeister, P.

    We investigate and review concepts of multi - seeded REBCO bulk superconductors in mobile application. ATZ's compact HTS bulk magnets can trap routinely 1 T@77 K. Except of magnetization, flux creep and hysteresis, industrial - like properties as compactness, power density, and robustness are of major device interest if mobility and light-weight construction is in focus. For mobile application in levitated trains or demonstrator magnets we examine the performance of on-board cryogenics either by LN2 or cryo-cooler application. The mechanical, electric and thermodynamical requirements of compact vacuum cryostats for Maglev train operation were studied systematically. More than 30 units are manufactured and tested. The attractive load to weight ratio is more than 10 and favours group module device constructions up to 5 t load on permanent magnet (PM) track. A transportable and compact YBCO bulk magnet cooled with in-situ 4 Watt Stirling cryo-cooler for 50 - 80 K operation is investigated. Low cooling power and effective HTS cold mass drives the system construction to a minimum - thermal loss and light-weight design.

  17. Imaging Polyatomic Molecules in Three Dimensions Using Molecular Frame Photoelectron Angular Distributions

    Science.gov (United States)

    Williams, J. B.; Trevisan, C. S.; Schöffler, M. S.; Jahnke, T.; Bocharova, I.; Kim, H.; Ulrich, B.; Wallauer, R.; Sturm, F.; Rescigno, T. N.; Belkacem, A.; Dörner, R.; Weber, Th.; McCurdy, C. W.; Landers, A. L.

    2012-06-01

    We demonstrate a method for determining the full three-dimensional molecular-frame photoelectron angular distribution in polyatomic molecules using methane as a prototype. Simultaneous double Auger decay and subsequent dissociation allow measurement of the initial momentum vectors of the ionic fragments and the photoelectron in coincidence, allowing full orientation by observing a three-ion decay pathway, (H+, H+, CH2+). We find the striking result that at low photoelectron energies the molecule is effectively imaged by the focusing of photoelectrons along bond directions.

  18. Ambient pressure photoelectron spectroscopy: Practical considerations and experimental frontiers

    Science.gov (United States)

    Trotochaud, Lena; Head, Ashley R.; Karslıoğlu, Osman; Kyhl, Line; Bluhm, Hendrik

    2017-02-01

    Over the past several decades, ambient pressure x-ray photoelectron spectroscopy (APXPS) has emerged as a powerful technique for in situ and operando investigations of chemical reactions under relevant ambient atmospheres far from ultra-high vacuum conditions. This review focuses on exemplary cases of APXPS experiments, giving special consideration to experimental techniques, challenges, and limitations specific to distinct condensed matter interfaces. We discuss APXPS experiments on solid/vapor interfaces, including the special case of 2D films of graphene and hexagonal boron nitride on metal substrates with intercalated gas molecules, liquid/vapor interfaces, and liquid/solid interfaces, which are a relatively new class of interfaces being probed by APXPS. We also provide a critical evaluation of the persistent limitations and challenges of APXPS, as well as the current experimental frontiers.

  19. Revealing Deactivation Pathways Hidden in Time-Resolved Photoelectron Spectra

    Science.gov (United States)

    Ruckenbauer, Matthias; Mai, Sebastian; Marquetand, Philipp; González, Leticia

    2016-10-01

    Time-resolved photoelectron spectroscopy is commonly employed with the intention to monitor electronic excited-state dynamics occurring in a neutral molecule. With the help of theory, we show that when excited-state processes occur on similar time scales the different relaxation pathways are completely obscured in the total photoionization signal recorded in the experiment. Using non-adiabatic molecular dynamics and Dyson norms, we calculate the photoionization signal of cytosine and disentangle the transient contributions originating from the different deactivation pathways of its tautomers. In the simulations, the total signal from the relevant keto and enol tautomers can be decomposed into contributions either from the neutral electronic state populations or from the distinct mechanistic pathways across the multiple potential surfaces. The lifetimes corresponding to these contributions cannot be extracted from the experiment, thereby illustrating that new experimental setups are necessary to unravel the intricate non-adiabatic pathways occurring in polyatomic molecules after irradiation by light.

  20. X-ray photoelectron spectroscopic investigation of conducting polymer blends.

    Science.gov (United States)

    Süzer, S; Toppare, L; Hallam, K R; Allen, G C

    1996-06-01

    Electrochemically prepared films of conducting polymers of polypyrrole and polythiophene and their blends with polyamide have been investigated by X-ray photoelectron spectroscopy. In the N1s region of the spectra of films containing polypyrrole the peak corresponding to N(+) at 402.0 eV is separated from that of neutral N. The intensity of the N(+) peak can be correlated with the electrical conductivity of the films and the spectroscopically derived ratio of F/N(+) is close to 4 indicating that one BF(-)(4) dopant ion is incorporated for every oxidized nitrogen center. In the spectra of films of polythiophene and its blends peaks corresponding to S and S(+) can not be resolved but again the F/C ratio correlates with the electrical conductivity.

  1. Strong-field photoelectron emission from metal nanotips

    Energy Technology Data Exchange (ETDEWEB)

    Bormann, Reiner; Gulde, Max; Yalunin, Sergey; Weismann, Alexander; Ropers, Claus [University of Goettingen (Germany). Courant Research Center Nano-Spectroscopy and X-Ray Imaging

    2010-07-01

    The generation of ultrashort, localized electron pulses is of fundamental interest for future applications in time-resolved electron imaging and diffraction. Femtosecond electron sources of great spatial coherence make use of a combination of local field enhancement at metal nanotips and nonlinear photoelectric effects. Previous studies have resulted in a controversial debate about the underlying physical processes. Here, we present our most recent theoretical and experimental results regarding ultrafast photoelectron emission from nanometric gold tips. For the first time, we conclusively show the transition between the multiphoton and the optical field emission (i.e. tunneling) regimes. Direct evidence for this transition is found from both the power dependence of the total current and the spatial characteristics of the resulting electron beam. The results are supported by theoretical modeling.

  2. Photoelectron Spectra of Aqueous Solutions from First Principles

    Energy Technology Data Exchange (ETDEWEB)

    Gaiduk, Alex P.; Govoni, Marco; Seidel, Robert; Skone, Jonathan H.; Winter, Bernd; Galli, Giulia

    2016-06-08

    We present a combined computational and experimental study of the photoelectron spectrum of a simple aqueous solution of NaCl. Measurements were conducted on microjets, and first-principles calculations were performed using hybrid functionals and many-body perturbation theory at the G0W0 level, starting with wave functions computed in ab initio molecular dynamics simulations. We show excellent agreement between theory and experiments for the positions of both the solute and solvent excitation energies on an absolute energy scale and for peak intensities. The best comparison was obtained using wave functions obtained with dielectric-dependent self-consistent and range-separated hybrid functionals. Our computational protocol opens the way to accurate, predictive calculations of the electronic properties of electrolytes, of interest to a variety of energy problems.

  3. X-ray photoelectron spectroscopy of FeP phosphide

    Energy Technology Data Exchange (ETDEWEB)

    Teterin, Yu. A.; Sobolev, A. V., E-mail: salex12@rambler.ru, E-mail: alex@radio.chem.msu.ru; Presnyakov, I. A.; Maslakov, K. I. [Moscow State University (Russian Federation); Teterin, A. Yu. [National Research Center “Kurchatov Institute,” (Russian Federation); Morozov, I. V.; Chernyavskii, I. O. [Moscow State University (Russian Federation); Ivanov, K. E. [National Research Center “Kurchatov Institute,” (Russian Federation); Shevel’kov, A. V. [Moscow State University (Russian Federation)

    2017-02-15

    The structure of the outer and inner electron spectra of iron (2p, 3p, 3s, and 3d) and phosphorus (3s and 3p) atoms in FeP monophosphide is studied in detail by the X-ray photoelectron spectroscopy (XPS) method. On the basis of the analysis of the binding energy of electrons, as well as the parameters characterizing the structure of experimental spectra, a conclusion is made that Fe{sup 3+} (d{sup 5}) cations in FeP are stabilized in a state with intermediate value of the total spin (IS, S = 3/2). The range of values of intra-atomic parameters (10Dq, J{sub H}) is established in which the consideration of the high degree of covalence of Fe–P bonds may lead to the stabilization of (FeP{sub 6}){sup 15–} clusters in the IS state.

  4. Photoelectron microscopy in the life sciences: Imaging neuron networks

    Energy Technology Data Exchange (ETDEWEB)

    Mercanti, D. (Istituto di Neurobiologia del CNR, Viale Marx 15, 00100 Roma (Italy)); De Stasio, G. (ISM-CNR, Via E. Fermi 38, 00044 Frascati, Roma (Italy)); Ciotti, M.T. (Istituto di Neurobiologia del CNR, Viale Marx 15, 00100 Roma (Italy)); Capasso, C.; Ng, W.; Ray-Chaudhuri, A.K.; Liang, S.H.; Cole, R.K.; Guo, Z.Y.; Wallace, J. (Department of Physics, University of Wisconsin, Madison, WI (USA) Electrical and Computer Engineering, University of Wisconsin, Madison, WI (USA)); Margaritondo, G. (Institut de Physique Appliquee, Ecole Polytechnique Federale de Lausanne, Ecublens (Switzerland)); Cerrina, F. (Departments of Physics, University of Wisconsin, Madison, WI (USA) Electrical and Computer Engineering, University of Wisconsin, Madison, WI (USA)); Underwood, J.; Perera, R.; Kortright, J. (Center for X-ray Optics, Lawrence Berkeley Laboratory, Berkeley, CA 94720 (USA))

    1991-05-01

    Photoemission techniques like electron spectroscopy for chemical analysis are the leading electronic probes in materials science---but their impact in the life sciences has been minimal. A critical problem is that the lateral resolution in ordinary photoemission does not exceed a few tenths of a millimeter. This space-averaged probe is nearly useless for most of the fundamental problems in biophysics and biochemistry, which deal with microstructures in the submicron range or smaller. This limit is being overcome with photoemission microscopes, such as our scanning instrument MAXIMUM. The first scanning photoelectron micrographs of a cellular system with submicron resolution are presented. Minute details of neuron networks are imaged on MAXIMUM, thereby opening the way to novel applications of photoemission in the life sciences. The details include individual neurons, axons, dendrites, and synapses, and composite large-area scanning micrographs were routinely produced with a lateral resolution of 0.5 {mu}m.

  5. Modeling and Simulation of Photoelectronic Lambda Bipolar Transistor

    Institute of Scientific and Technical Information of China (English)

    2005-01-01

    Based on the region model of lambda bipolar transistor (LBT), a dividing region theory model of PLBT is set up,simulated and verified. Firstly, the principal operations of different kinds of photoelectronic lambda bipolar transistor (PLBT) are characterized by a simple circuit model.Through mathematical analysis of the equivalent circuit, the typical characteristics curve is divided into positive resistance, peak, negative resistance and cutoff regions. Secondly, by analyzing and simulating this model, the ratio of MOSFET width to channel length, threshold voltage and common emitter gain are discovered as the main structure parameters that determine the characteristic curves of PLBT. And peak region width, peak current value, negative resistance value and valley voltage value of PLBT can be changed conveniently according to the actual demands by modifying these parameters. Finally comparisons of the characteristics of the fabricated devices and the simulation results are made, which show that the analytical results are in agreement with the observed devices characteristics.

  6. SPIN POLARIZED PHOTOELECTRON SPECTROSCOPY AS A PROBE OF MAGNETIC SYSTEMS.

    Energy Technology Data Exchange (ETDEWEB)

    JOHNSON, P.D.; GUNTHERODT, G.

    2006-11-01

    Spin-polarized photoelectron spectroscopy has developed into a versatile tool for the study of surface and thin film magnetism. In this chapter, we examine the methodology of the technique and its recent application to a number of different problems. We first examine the photoemission process itself followed by a detailed review of spin-polarization measurement techniques and the related experimental requirements. We review studies of spin polarized surface states, interface states and quantum well states followed by studies of the technologically important oxide systems including half-metallic transition metal oxides, ferromagnet/oxide interfaces and the antiferromagnetic cuprates that exhibit high Tc Superconductivity. We also discuss the application of high-resolution photoemission with spin resolving capabilities to the study of spin dependent self energy effects.

  7. Scanning photoelectron microscopy using a pointed capillary probe

    Science.gov (United States)

    Mironov, B. N.; Cherkun, A. P.; Aseyev, S. A.; Chekalin, S. V.

    2017-08-01

    The possibilities of a new type of scanning probe microscopy (SPM) for two different samples are experimentally demonstrated. The method is based on the use of a pointed capillary, which can simultaneously act as a 'classical' SPM probe and also as a controlled thin channel for transporting charged particles emitted by the surface to the detector. In the experiment, photoelectrons pass through a dielectric hollow cone probe with an aperture radius of 1 μm and detected by microchannel plates at different points of the investigated conducting surface irradiated by the second harmonic of a femtosecond Ti : sapphire laser. As a result, the sample's surface profile is visualised with a subwavelength spatial resolution. This method makes it possible to control spatially localised beams of electrons, ions, neutral atoms (molecules) and soft X-ray radiation, as well as opens a possibility for research in the field of nanoscale photodesorption of molecular ions.

  8. Examining the structural evolution of bicarbonate–water clusters: insights from photoelectron spectroscopy, basin-hopping structural search, and comparison with available IR spectral studies

    Energy Technology Data Exchange (ETDEWEB)

    Wen, Hui [Chinese Academy of Sciences (CAS), Hefei (China). Lab. of Atmospheric Physico-Chemistry, Anhui Inst. of Optics & Fine Mechanics; Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Physical Sciences Division; Hou, Gao-Lei [Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Physical Sciences Division; Liu, Yi-Rong [Chinese Academy of Sciences (CAS), Hefei (China). Lab. of Atmospheric Physico-Chemistry, Anhui Inst. of Optics & Fine Mechanics; Wang, Xue-Bin [Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Physical Sciences Division; Huang, Wei [Chinese Academy of Sciences (CAS), Hefei (China). Lab. of Atmospheric Physico-Chemistry, Anhui Inst. of Optics & Fine Mechanics; Univ. of Science and Technology of China, Hefei (China). School of Environmental Science & Optoelectronic Technology

    2016-05-31

    Bicarbonate serves a crucial biochemical role in the physiological pH buffering system and also has important atmospheric implications. In the current study, HCO3$-$(H2O)n (n = 0-13) clusters were successfully produced via electrospray ionization of corresponding bulk salt solution, and were characterized by combining negative ion photoelectron spectroscopy and theoretical calculations. The photoelectron spectra reveal that the electron binding energy monotonically increases with the cluster size up to n = 10 and remains largely the same after n > 10. The photo-detaching feature of the solute HCO3$-$itself, which dominates in the small clusters, diminishes with increase of water coverage. Based on the charge distribution and molecular orbital analyses, the universal high electron binding energy tail that dominates in the larger clusters can be attributed to ionization of water. Thus, the transition of ionization from solute to solvent at the size larger than n=10 has been observed. Extensive theoretical structural search based on the Basin-Hopping unbiased method was carried out, and a plethora of low energy isomers have been obtained for each medium and large size. By comparing the simulated photoelectron spectra and calculated electron binding energies with the experiments, as well as by comparing the simulated infrared spectra with previously reported IR spectra, the probable global minima and the structural evolutionary routes are presented. The nature of bicarbonate-water interactions are mainly electrostatic as implied by the electron localization function (ELF) analysis.

  9. The nucleation and growth of H blisters in dislocation loops in W{110}

    Science.gov (United States)

    He, Zhihai; He, H. Y.; Pan, B. C.

    2016-09-01

    We propose a mechanism for nucleation and growth of H blisters in vacancy-type dislocation loops (DLs) in tungsten (W), based on the first principles calculations. We find that vacancy-type DLs are energetically preferred to form on {110} planes. The H atoms nearby are readily to migrate to and accumulate in the DLs with energy cost less than 0.24 eV. With the increasing number of the trapped H atoms, the DL expands rapidly, consequently, the nucleation and growth of H blisters is completed in the DL gradually. In addition, H2 molecules are observed in the H blisters when the H areal density in DL reaches to be of 6.3 × 1015 atoms/cm2 (the number of H atoms per the cross-sectional area of the DL). Our proposed formation mechanism for H blisters in W material may also be applicable to other metals and metal alloys.

  10. Bulk Moisture and Salinity Sensor

    Science.gov (United States)

    Nurge, Mark; Monje, Oscar; Prenger, Jessica; Catechis, John

    2013-01-01

    Measurement and feedback control of nutrient solutions in plant root zones is critical to the development of healthy plants in both terrestrial and reduced-gravity environments. In addition to the water content, the amount of fertilizer in the nutrient solution is important to plant health. This typically requires a separate set of sensors to accomplish. A combination bulk moisture and salinity sensor has been designed, built, and tested with different nutrient solutions in several substrates. The substrates include glass beads, a clay-like substrate, and a nutrient-enriched substrate with the presence of plant roots. By measuring two key parameters, the sensor is able to monitor both the volumetric water content and salinity of the nutrient solution in bulk media. Many commercially available moisture sensors are point sensors, making localized measurements over a small volume at the point of insertion. Consequently, they are more prone to suffer from interferences with air bubbles, contact area of media, and root growth. This makes it difficult to get an accurate representation of true moisture content and distribution in the bulk media. Additionally, a network of point sensors is required, increasing the cabling, data acquisition, and calibration requirements. measure the dielectric properties of a material in the annular space of the vessel. Because the pore water in the media often has high salinity, a method to measure the media moisture content and salinity simultaneously was devised. Characterization of the frequency response for capacitance and conductance across the electrodes was completed for 2-mm glass bead media, 1- to 2-mm Turface (a clay like media), and 1- to 2-mm fertilized Turface with the presence of root mass. These measurements were then used to find empirical relationships among capacitance (C), the dissipation factor (D), the volumetric water content, and the pore water salinity.

  11. Toughness of Bulk Metallic Glasses

    Directory of Open Access Journals (Sweden)

    Shantanu V. Madge

    2015-07-01

    Full Text Available Bulk metallic glasses (BMGs have desirable properties like high strength and low modulus, but their toughness can show much variation, depending on the kind of test as well as alloy chemistry. This article reviews the type of toughness tests commonly performed and the factors influencing the data obtained. It appears that even the less-tough metallic glasses are tougher than oxide glasses. The current theories describing the links between toughness and material parameters, including elastic constants and alloy chemistry (ordering in the glass, are discussed. Based on the current literature, a few important issues for further work are identified.

  12. Copper phthalocyanine growth on hydrogen-terminated Si(1 0 0) surfaces: Contrasted molecular arrangements revealed by X-ray photoelectron studies

    Energy Technology Data Exchange (ETDEWEB)

    Hamada, B. Ben; Akremi, A.; Arbi, I.; Menzli, S. [Universite de Carthage, Laboratoire de Physique des materiaux, equipe Surface et Interface (ESI), Faculte des Sciences de Bizerte, 7021 Jarzouna, Bizerte (Tunisia); Themlin, J.-M. [Aix-Marseille Univ, IM2NP, Avenue de l' Escadrille Normandie-Niemen, Case 142, F-13397 Marseille Cedex 20 (France); CNRS, IM2NP-UMR 7334, Marseille-Toulon (France); Porte, L., E-mail: louis.porte@im2np.fr [Aix-Marseille Univ, IM2NP, Avenue de l' Escadrille Normandie-Niemen, Case 142, F-13397 Marseille Cedex 20 (France); CNRS, IM2NP-UMR 7334, Marseille-Toulon (France); Chefi, C. [Universite de Carthage, Laboratoire de Physique des materiaux, equipe Surface et Interface (ESI), Faculte des Sciences de Bizerte, 7021 Jarzouna, Bizerte (Tunisia)

    2013-01-01

    Highlights: Black-Right-Pointing-Pointer Copper phthalocyanine growth on hydrogen-terminated Si(1 0 0) surfaces. Black-Right-Pointing-Pointer Molecular packing of CuPc onto hydrogen H-Si(1 0 0)-1 Multiplication-Sign 1 and H-Si(1 0 0)-2 Multiplication-Sign 1 surfaces. Black-Right-Pointing-Pointer Structure of CuPc monolayer determined by X-ray photoelectron diffraction. - Abstract: Copper phthalocyanine (CuPc) molecules have been deposited under ultra-high vacuum on two kinds of hydrogen-terminated silicon surfaces, namely the H-Si(1 0 0)-2 Multiplication-Sign 1 and H-Si(1 0 0)-1 Multiplication-Sign 1 surfaces. The chemical and structural properties of these interfaces were investigated in situ by X-ray photoelectron spectroscopy and X-ray photoelectron diffraction (XPD), and low-energy electron diffraction. Results from X-ray photoelectron diffraction shed light on the growth mechanism of CuPc on these two substrates. At one monolayer coverage the growth mode was characterized by the formation of crystalline 3D nano-islands. The molecular packing deduced from these studies appears very close to the one of the bulk CuPc phase. Interestingly, the growth mode appears significantly different for the two surfaces. Indeed, 3D islands are formed by molecules aligned in a standing manner in the case of H-Si(1 0 0)-2 Multiplication-Sign 1, and in a flat-lying manner in the case of H-Si(1 0 0)-1 Multiplication-Sign 1.

  13. Local variation in Bi crystal sites of epitaxial GaAsBi studied by photoelectron spectroscopy and first-principles calculations

    Science.gov (United States)

    Laukkanen, P.; Punkkinen, M. P. J.; Lahti, A.; Puustinen, J.; Tuominen, M.; Hilska, J.; Mäkelä, J.; Dahl, J.; Yasir, M.; Kuzmin, M.; Osiecki, J. R.; Schulte, K.; Guina, M.; Kokko, K.

    2017-02-01

    Epitaxial Bi-containing III-V crystals (III-V1-xBix) have attracted increasing interest due to their potential in infrared applications. Atomic-scale characterization and engineering of bulk-like III-V1-xBix properties (e.g., Bi incorporation and defect formation) are challenging but relevant to develop applications. Toward that target, we report here that the traditional surface-science measurement of photoelectron spectroscopy (PES) is a potential, non-destructive method to be combined in the studies of bulk-like properties, when surface effects are properly removed. We have investigated epitaxial GaAs1-xBix films, capped by epitaxial AlAs layers, with high-resolution photoelectron spectroscopy. The Bi5d core-level spectra of GaAs1-xBix together with ab-initio calculations give direct evidence of variation of Bi bonding environment in the lattice sites. The result agrees with photoluminescence (PL) measurement which shows that the studied GaAs1-xBix films include local areas with higher Bi content, which contribute to PL but do not readily appear in x-ray diffraction (XRD). The measured and calculated Bi core-level shifts show also that Ga vacancies and Bi clusters are dominant defects.

  14. Imaging Molecular Structure through Femtosecond Photoelectron Diffraction on Aligned and Oriented Gas-Phase Molecules

    DEFF Research Database (Denmark)

    Boll, Rebecca; Rouzee, Arnaud; Adolph, Marcus

    2014-01-01

    This paper gives an account of our progress towards performing femtosecond time-resolved photoelectron diffraction on gas-phase molecules in a pump-probe setup combining optical lasers and an X-ray Free-Electron Laser. We present results of two experiments aimed at measuring photoelectron angular...

  15. Imaging molecular shapes with molecular-frame photoelectron angular distributions from core hole ionization

    Science.gov (United States)

    Trevisan, C. S.; McCurdy, C. W.; Rescigno, T. N.

    2012-10-01

    We demonstrate, for a class of molecules containing a single heavy atom, the striking result that molecular-frame photoelectron angular distributions resulting from core-level ionization can be used to obtain three-dimensional images of the target molecule at low photoelectron energies. We demonstrate this finding with the results of theoretical calculations on methane, ammonia and water.

  16. Glass Formation, Chemical Properties and Surface Analysis of Cu-Based Bulk Metallic Glasses

    Directory of Open Access Journals (Sweden)

    Akihisa Inoue

    2011-04-01

    Full Text Available This paper reviews the influence of alloying elements Mo, Nb, Ta and Ni on glass formation and corrosion resistance of Cu-based bulk metallic glasses (BMGs. In order to obtain basic knowledge for application to the industry, corrosion resistance of the Cu–Hf–Ti–(Mo, Nb, Ta, Ni and Cu–Zr–Ag–Al–(Nb bulk glassy alloy systems in various solutions are reported in this work. Moreover, X-ray photoelectron spectroscopy (XPS analysis is performed to clarify the surface-related chemical characteristics of the alloy before and after immersion in the solutions; this has lead to a better understanding of the correlation between the surface composition and the corrosion resistance.

  17. Real-time analysis for MBE by time-resolved core-level photoelectron spectroscopy.

    Science.gov (United States)

    Maeda, F; Watanabe, Y; Oshima, M; Taguchi, M; Oiwa, R

    1998-05-01

    A system has been developed for the real-time analysis of surface reactions during molecular beam epitaxial growth which uses photoelectron spectroscopy with VUV light taken from synchrotron radiation. This system consists of a synchrotron radiation beamline and growth/analysis apparatus in which photoelectron spectroscopy is performed with sub-second time resolution. In this system, photoelectron spectra are measured in sequence by a 'non-scanning' measurement method that enables the acquisition of snapshot photoelectron spectra using a multi-channel detector. This non-scanning measurement method was enabled by equipping an electric field correction grid. This system was used to monitor the photoelectron spectra of a GaSb(001) surface.

  18. Calculation of photoelectron spectra within the time-dependent configuration interaction singles scheme

    CERN Document Server

    Karamatskou, Antonia; Chen, Yi-Jen; Santra, Robin

    2014-01-01

    We present the extension of the time-dependent configuration interaction singles (TDCIS) method to the computation of the electron kinetic-energy spectrum in photoionization processes. Especially for strong and long ionizing light pulses the detection of the photoelectron poses a computational challenge because propagating the outgoing photoelectron wavepacket requires large grid sizes. Two different methods which allow for the extraction of the asymptotic photoelectron momentum are compared regarding their methodological and computational performance. The first method follows the scheme of Tong et al. \\cite{tong} where the photoelectron wavefunction is absorbed by a real splitting function. The second method after Tao and Scrinzi \\cite{scrinzi} measures the flux of the electron wavepacket through a surface at a fixed radius. With both methods the full angle- and energy-resolved photoelectron spectrum is obtained. Combined with the TDCIS scheme it is possible to analyze the dynamics of the outgoing electron i...

  19. Ce in the +4 oxidation state: Anion photoelectron spectroscopy and photodissociation of small CexOyHz(-) molecules.

    Science.gov (United States)

    Topolski, Josey E; Kafader, Jared O; Jarrold, Caroline Chick

    2017-09-14

    The anion photoelectron (PE) spectra of a range of small mono-cerium molecular species, along with the Ce2O4(-) and Ce3O6(-) stoichiometric clusters, are presented and analyzed with the support of density functional theory calculations. A common attribute of all of the neutral species is that the Ce centers in both the molecules and clusters are in the +4 oxidation state. In bulk ceria (CeO2), an unoccupied, narrow 4f band lies between the conventional valence (predominantly O 2p) and conduction (Ce 5d) bands. Within the CeO2(-), CeO3H2(-), and Ce(OH)4(-) series, the PE spectra and computational results suggest that the Ce 6s-based molecular orbital is the singly occupied HOMO in CeO2(-) but becomes destabilized as the Ce 4f-local orbital becomes stabilized with increasing coordination. CeO3(-), a hyperoxide, undergoes photodissociation with 3.49 eV photon energy to form the stoichiometric neutral CeO2 and O(-). In the CeO2(-), Ce2O4(-) ,and Ce3O6(-) stoichiometric cluster series, the 6s destabilization with 4f stabilization is associated with increasing cluster size, suggesting that a bulk-like band structure may be realized with fairly small cluster sizes. The destabilization of the 6s-based molecular orbitals can be rationalized by their diffuse size relative to Ce-O bond lengths in a crystal structure, suggesting that 6s bands in the bulk may be relegated to the surface.

  20. High temperature photoelectron emission and surface photovoltage in semiconducting diamond

    Science.gov (United States)

    Williams, G. T.; Cooil, S. P.; Roberts, O. R.; Evans, S.; Langstaff, D. P.; Evans, D. A.

    2014-08-01

    A non-equilibrium photovoltage is generated in semiconducting diamond at above-ambient temperatures during x-ray and UV illumination that is sensitive to surface conductivity. The H-termination of a moderately doped p-type diamond (111) surface sustains a surface photovoltage up to 700 K, while the clean (2 × 1) reconstructed surface is not as severely affected. The flat-band C 1s binding energy is determined from 300 K measurement to be 283.87 eV. The true value for the H-terminated surface, determined from high temperature measurement, is (285.2 ± 0.1) eV, corresponding to a valence band maximum lying 1.6 eV below the Fermi level. This is similar to that of the reconstructed (2 × 1) surface, although this surface shows a wider spread of binding energy between 285.2 and 285.4 eV. Photovoltage quantification and correction are enabled by real-time photoelectron spectroscopy applied during annealing cycles between 300 K and 1200 K. A model is presented that accounts for the measured surface photovoltage in terms of a temperature-dependent resistance. A large, high-temperature photovoltage that is sensitive to surface conductivity and photon flux suggests a new way to use moderately B-doped diamond in voltage-based sensing devices.

  1. Multiphoton ionization photoelectron spectroscopy of xenon: Experiment and theory

    Energy Technology Data Exchange (ETDEWEB)

    Bajic, S.J.; Compton, R.N.; Tang, X.; L' Huiller, A.; Lambropoulos, P.

    1988-11-01

    Photoelectron energy and angular distributions for resonantly enhanced multiphoton ionization (REMPI) of xenon via the three-photon-allowed 7s(3/2)/sub 1//sup 0/ and 5d(3/2)/sub 1//sup 0/ states have been studied both experimentally and theoretically. The electron kinetic energy spectra give the probability of leaving Xe/sup +/ in either the /sup 2/P/sub 1/2/ or /sup 2/P/sub 3/2/ core. The measured branching ratio for leaving each ionic core is used to test the theoretical description of the REMPI process. Measurements of both the angular distributions and the (3+1) REMPI via the 5d state are adequately reproduced by multichannel quantum defect theory. However, measurements of angular distributions for the electrons resulting from (3+1) via the 7s(3/2)/sub 1//sup 0/ state into Xe/sup +/ /sup 2/P/sub 3/2/ (core preserving) or Xe/sup +/ /sup 2/P/sub 1/2/ (core changing) are in striking disagreement with theory. 1 ref., 2 figs.

  2. Photoelectron-Auger electron coincidence study for condensed matter

    Energy Technology Data Exchange (ETDEWEB)

    Stefani, G. [Department of Physics and Unita' INFM, University Roma Tre, Via della Vasca Navale 84, I-00146 Rome (Italy)]. E-mail: stefani@fis.uniroma3.it; Gotter, R. [National Laboratory TASC-INFM, Area Science Park, SS 14 Km 163.5, Basovizza, I-34012 Trieste (Italy); Ruocco, A. [Department of Physics and Unita INFM, University Roma Tre, Via della Vasca Navale 84, I-00146 Rome (Italy); Offi, F. [Department of Physics and Unita INFM, University Roma Tre, Via della Vasca Navale 84, I-00146 Rome (Italy); Pieve, F. Da [Department of Physics and Unita INFM, University Roma Tre, Via della Vasca Navale 84, I-00146 Rome (Italy); Iacobucci, S. [IMIP-CNR Area della Ricerca di Roma, via Salaria Km 29, 3 Montelibretti (Italy); Morgante, A. [National Laboratory TASC-INFM, Area Science Park, SS 14 Km 163.5, Basovizza, I-34012 Trieste (Italy); Verdini, A. [National Laboratory TASC-INFM, Area Science Park, SS 14 Km 163.5, Basovizza, I-34012 Trieste (Italy); Liscio, A. [IMIP-CNR Area della Ricerca di Roma, via Salaria Km 29, 3 Montelibretti (Italy); Yao, H. [Department of Physics and Astronomy and Laboratory of Surface Modification, Rutgers University, 136 Frelinghuysen Road, Piscataway, NJ 08855 (United States); Bartynski, R.A. [Department of Physics and Astronomy and Laboratory of Surface Modification, Rutgers University, 136 Frelinghuysen Road, Piscataway, NJ 08855 (United States)

    2004-12-01

    Advances in materials science have produced a wide array of new solid-state systems with tunable properties and previously unattainable combinations of phenomena that hold the promise of entirely new approaches to technological applications. Invariably, these new materials are increasingly complex and include a large number of constituents in a variety of chemical states. Entirely new theoretical and experimental approaches are needed to gain the insights necessary for intelligent engineering of these materials. In the past 20 years, a steadily increasing number of electron-electron coincidence experiments on atoms and molecules have demonstrated the capability of investigating complicated systems with sensitivity and specificity well beyond the limits imposed by conventional electron spectroscopies. Over the past decade or so, Auger-photoelectron coincidence spectroscopy (APECS) has emerged as a powerful technique for obtaining detailed information about complex materials systems. Moreover, the recent advent of angle-resolved (AR)-APECS has introduced a new level of discrimination in studying the distribution of electrons photoemitted from complex systems. In this review, we describe the basic ideas behind APECS and discuss a study of the SiO{sub 2} system as an example of the unique information this technique can provide. We then introduce the concept of AR-APECS, explain its novel state and angular momentum selectivity that can be used to disentangle information about complex systems that is hidden to conventional spectroscopies. Examples of AR-APECS measurements from Cu, Ge, and graphite that exemplify the capabilities of this technique are presented.

  3. Photoelectron spectra with Qprop and t-SURFF

    CERN Document Server

    Mosert, Volker

    2016-01-01

    Calculating strong-field, momentum-resolved photoelectron spectra (PES) from numerical solutions of the time-dependent Schr\\"odinger equation (TDSE) is a very demanding task due to the large spatial excursions and drifts of electrons in intense laser fields. The time-dependent surface flux (t-SURFF) method for the calculation of PES [L. Tao, A. Scrinzi, New Journal of Physics 14, 013021 (2012)] allows to keep the numerical grid much smaller than the space over which the wavefunction would be spread at the end of the laser pulse. We present an implementation of the t-SURFF method in the well established TDSE-solver Qprop [D. Bauer, P. Koval, Comput. Phys. Commun. 174, 396 (2006)]. Qprop efficiently propagates wavefunctions for single-active electron systems with spherically symmetric binding potentials in classical, linearly (along $z$) or elliptically (in the $xy$-plane) polarized laser fields in dipole approximation. Its combination with t-SURFF makes the simulation of PES feasible in cases where it is just ...

  4. Alignment of the photoelectron spectroscopy beamline at NSRL

    CERN Document Server

    Li, Chaoyang; Wen, Shen; Pan, Congyuan; An, Ning; Du, Xuewei; Zhu, Junfa; Wang, Qiuping

    2013-01-01

    The photoelectron spectroscopy beamline at National Synchrotron Radiation Laboratory (NSRL) is equipped with a spherical grating monochromator with the included angle of 174 deg. Three gratings with line density of 200, 700 and 1200 lines/mm are used to cover the energy region from 60 eV to 1000 eV. After several years operation, the spectral resolution and flux throughput were deteriorated, realignment is necessary to improve the performance. First, the wavelength scanning mechanism, the optical components position and the exit slit guide direction are aligned according to the design value. Second, the gratings are checked by Atomic Force Microscopy (AFM). And then the gas absorption spectrum is measured to optimize the focusing condition of the monochromator. The spectral resolving power is recovered to the designed value of 1000@244eV. The flux at the end station for the 200 lines/mm grating is about 10^10 photons/sec/200mA, which is in accordance with the design. The photon flux for the 700 lines/mm grati...

  5. Femtosecond photoelectron and photoion spectrometer with vacuum ultraviolet probe pulses

    CERN Document Server

    Koch, Markus; Grilj, Jakob; Sistrunk, Emily; Gühr, Markus

    2014-01-01

    We describe a setup to study ultrafast dynamics in gas-phase molecules using time-resolved photoelectron and photoion spectroscopy. The vacuum ultraviolet (VUV) probe pulses are generated via strong field high-order harmonic generation from infrared femtosecond laser pulses. The band pass characteristic in transmission of thin indium (In) metal foil is exploited to isolate the $9^{\\text{th}}$ harmonic of the 800 nm fundamental (H9, 14 eV, 89 nm) from all other high harmonics. The $9^{\\text{th}}$ harmonic is obtained with high conversion efficiencies and has sufficient photon energy to access the complete set of valence electron levels in most molecules. The setup also allows for direct comparison of VUV single-photon probe with 800 nm multi-photon probe without influencing the delay of excitation and probe pulse or the beam geometry. We use a magnetic bottle spectrometer with high collection efficiency for electrons, serving at the same time as a time of flight spectrometer for ions. Characterization measurem...

  6. Handling of bulk solids theory and practice

    CERN Document Server

    Shamlou, P A

    1990-01-01

    Handling of Bulk Solids provides a comprehensive discussion of the field of solids flow and handling in the process industries. Presentation of the subject follows classical lines of separate discussions for each topic, so each chapter is self-contained and can be read on its own. Topics discussed include bulk solids flow and handling properties; pressure profiles in bulk solids storage vessels; the design of storage silos for reliable discharge of bulk materials; gravity flow of particulate materials from storage vessels; pneumatic transportation of bulk solids; and the hazards of solid-mater

  7. New fermions in the bulk

    CERN Document Server

    de Brito, K P S

    2016-01-01

    Spinor fields on 5-dimensional Lorentzian manifolds are classified, according to the geometric Fierz identities that involve their bilinear covariants. Based upon this classification that generalises the celebrated 4-dimensional Lounesto classification of spinor fields, new non-trivial classes of 5-dimensional spinor fields are, hence, found, with important potential applications regarding bulk fermions and their subsequent localisation on brane-worlds. In addition, quaternionic bilinear covariants are used to derive the quaternionic spin density, through the truncated exterior bundle. In order to accomplish a realisation of these new spinors, a Killing vector field is constructed on the horizon of 5-dimensional Kerr black holes. This Killing vector field is shown to reach the time-like Killing vector field at the spatial infinity, through a current 1-form density, constructed with the derived new spinor fields. The current density is, moreover, expressed as the f\\"unfbein components, assuming a condensed for...

  8. New fermions in the bulk

    Science.gov (United States)

    de Brito, K. P. S.; da Rocha, Roldão

    2016-10-01

    The spinor fields on 5-dimensional Lorentzian manifolds are classified according to the geometric Fierz identities, which involve their bilinear covariants. Based upon this classification, which generalises the celebrated 4-dimensional Lounesto classification of spinor fields, new non-trivial classes of 5-dimensional spinor fields are hence found, with important potential applications regarding bulk fermions and their subsequent localisation on brane-worlds. In addition, quaternionic bilinear covariants are used to derive the quaternionic spin density through the truncated exterior bundle. In order to accomplish the realisation of these new spinors, a Killing vector field is constructed on the horizon of a 5-dimensional Kerr black hole. This Killing vector field is shown to reach the time-like Killing vector field at spatial infinity through a current 1-form density, constructed with the new derived spinor fields. The current density is, moreover, expressed as the fünfbein component, assuming a condensed form.

  9. Nanofluidics, from bulk to interfaces.

    Science.gov (United States)

    Bocquet, Lydéric; Charlaix, Elisabeth

    2010-03-01

    Nanofluidics has emerged recently in the footsteps of microfluidics, following the quest for scale reduction inherent to nanotechnologies. By definition, nanofluidics explores transport phenomena of fluids at nanometer scales. Why is the nanometer scale specific? What fluid properties are probed at nanometric scales? In other words, why does 'nanofluidics' deserve its own brand name? In this critical review, we will explore the vast manifold of length scales emerging for fluid behavior at the nanoscale, as well as the associated mechanisms and corresponding applications. We will in particular explore the interplay between bulk and interface phenomena. The limit of validity of the continuum approaches will be discussed, as well as the numerous surface induced effects occurring at these scales, from hydrodynamic slippage to the various electro-kinetic phenomena originating from the couplings between hydrodynamics and electrostatics. An enlightening analogy between ion transport in nanochannels and transport in doped semi-conductors will be discussed (156 references).

  10. GaSe oxidation in air: from bulk to monolayers

    Science.gov (United States)

    Rahaman, Mahfujur; Rodriguez, Raul D.; Monecke, Manuel; Lopez-Rivera, Santos A.; Zahn, Dietrich R. T.

    2017-10-01

    Two-dimensional (2D) van derWaals semiconductors have been the subject of intense research due to their low dimensionality and tunable optoelectronic properties. However, the stability of these materials in air is one of the important issues that needs to be clarified, especially for technological applications. Here the time evolution of GaSe oxidation from monolayer to bulk is investigated by Raman spectroscopy, photoluminescence emission, and x-ray photoelectron spectroscopy. The Raman spectroscopy study reveals that GaSe monolayers become oxidized almost immediately after exposure to air. However, the oxidation is a self-limiting process taking roughly 5 h to penetrate up to 3 layers of GaSe. After oxidation, GaSe single-layers decompose into amorphous Se which has a strong Raman cross section under red excitation. The present study provides a clear picture of the stability of GaSe in air and will guide future research of GaSe from single- to few-layers for the appropriate development of novel technological applications for this promising 2D material.

  11. Molecular Strong Field Ionization viewed with Photoelectron Velocity Map Imaging

    Science.gov (United States)

    Sandor, Peter

    In this thesis, work is presented on molecular strong-field ionization, during which an electron is removed from polyatomic molecules in the presence of strong laser fields. This is a process which is the basis of a number of experimental techniques to uncover electronic dynamics in atoms and molecules on the femtosecond and attosecond timescale. 'Strong' refers to an electric field strength which leads to a response from the system which can not be modeled perturbatively. These fields can be easily produced in the focus of femtosecond laser radiation, as is done in this work. With the use of velocity map imaging of the photoelectron in coincidence with the fragment ion, multiple ionization--dissociation pathways can be distinguished. It is shown that as opposed to early attempts to model the process, multiple low-lying states are populated in the ion, and also the signatures of multielectron dynamics are revealed. By changing the laser pulse duration from 30 fs to below 10 fs, control is demonstrated over which quantum states of the ion are populated. It is also shown that for pulses shorter than 10 fs (which is a timescale below the shortest vibrational period in molecules), ionization pathways that involve motion of the nuclei are almost completely shut off. Finally, the origin of electrons with step model is proposed for creating the electrons: the first step is population transfer to high-lying excited states of the neutral molecule by the laser field; the second step is ionization. Different ionization mechanisms are examined and their viability is checked against available data.

  12. Comments on photoelectron spectroscopy of high- Tc 's

    Energy Technology Data Exchange (ETDEWEB)

    Arko, A.J.

    1991-01-01

    The photoemission discussion session during the Argonne conference on Fermiology of High-{Tc}'s provided a forum to air a number of unresolved issues in photoelectron spectroscopy. These are: (a) what is the exact energy dependence of the line width of the quasiparticle peaks: (b) are there any chemical potential shifts with hole doping; (c) why is a superconducting gap not observed in Y-123; and (d) different groups report different results in the band structure of Bi-2212. The first issue, while much discussed, essentially becomes a non-issue in the sense that nearly all theories predict a linear as well as a quadratic energy dependence to the quasiparticle lifetime. Furthermore, the data are not yet good enough to distinguish between linear and quadratic dependence in the important region within 0.1 eV of E{sub F}. Regarding chemical potential shifts, they very definitely are observed with hole doping both in Y-123 and Bi-2212 in spite of the claims by RVB enthusiasts to the contrary. In Y-123 the shifts are as large as 0.75 eV. The non-observation of a gap in Y-123 is puzzling, but may be related to surface reconstruction and an overdoped situation. The important question of whether we have one or two bands near E{sub F} in Bi-2212 revolves around the surface quality of the samples studied by different groups. It is difficult to compare data taken at room temperature vs. data taken at low temperature when no documentation exists that a reconstruction did not occur. We suspect that the small second band championed by the Sendai group is a surface impurity band.

  13. Coincident photoelectron spectroscopy on superconductors; Koinzidente Photoelektronenspektroskopie an Supraleitern

    Energy Technology Data Exchange (ETDEWEB)

    Voss, Stefan

    2011-07-01

    Aim of the performed experiments of this thesis was to attempt to detect Cooper pairs as carriers of the superconducting current directly by means of the photoelectric effect. The method of the coincident photoelectron spectroscopy aims thereby at the detection of two coherently emitted electrons by the interaction with a photon. Because electrostatic analyzers typically cover only a very small spatial angle, which goes along with very low coincidence rates, in connection with this thesis a time-of-flight projection system has been developed, which maps nearly the whole spatial angle on a position-resolving detector. The pulsed light source in form of special synchrotron radiation necessary for the measurement has been adjusted so weak, that only single photons could arrive at the sample. Spectroscoped were beside test measurements on silver layers both a lead monocrystal as representative of the classical BCS superconductors and monocrystalline Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub 8} from the family of the high-temperature superconductors. With excitation energies up to 40 eV could be shown that sufficiently smooth and clean surfaces in the superconducting phase exhibit within the resolving power of about 0.5 eV no recognizable differences in comparison to the normally conducting phase. Beside these studies furthermore the simple photoemission at the different samples and especially in the case of the lead crystal is treated, because here no comparable results are known. Thereby the whole momentum space is discussed and the Fermi surface established as three-dimensional model, by means of which the measurement results are discussed. in the theoretical descriptions different models for the Cooper-pair production are presented, whereby to the momentum exchange with the crystal a special role is attributed, because this can only occur in direct excitations via discrete lattice vectors.

  14. Theoretical Investigation of Femtosecond-Resolved Photoelectron Spectrum of NaI Molecules

    Institute of Scientific and Technical Information of China (English)

    LIU Yu-Fang; ZHAI Hong-Sheng; GAO Ya-Li; LIU Rui-Qiong

    2008-01-01

    The time-resolved photoelectron spectra (TRPES) of Ned molecules are calculated by using the time-dependent wave packet method. Two different potential energy curves (adiabatic and diabatic) are adopted in the simulation. The third peak of the photoelectron spectra presented in the adiabatic calculation is induced by the reflection of the wave packet. The oscillating of the wave packet onto the diabatic energy curve is a decreasing process. The comparison of the photoelectron spectra between the two different calculations (adiabatic and diabatic) is presented.

  15. Photoelectron spectrum in the upper atmosphere of the earth during solar flares

    Energy Technology Data Exchange (ETDEWEB)

    Avakyan, S.V.; Kudryashev, G.S.

    1985-05-01

    This paper presents calculations of the photoelectron spectrum during solar flares. A comparison with the data of satellite measurements is presented. Verification of the calculated model of the experimental data has been carried out, showing satisfactory agreement between the results of the calculations and the variations of the photoelectron intensities and emission of the upper atmosphere. The model is suitable for the evaluation of the degree of disturbance of ionospheric parameters during flares, particularly above 100 km, where the role of photoelectrons increases greatly.

  16. Imaging molecular structure through femtosecond photoelectron diffraction on aligned and oriented gas-phase molecules

    OpenAIRE

    Boll, Rebecca; Rouzée, Arnaud; Christensen, Lauge; Coffee, Ryan; Coppola, Niccola; Sankar,; Decleva, Piero; Epp, Sascha W.; Erk, Benjamin; Filsinger, Frank; Foucar, Lutz; Gorkhover, Tais; Adolph, Marcus; Gumprecht, Lars; Hömke, André

    2014-01-01

    This paper gives an account of our progress towards performing femtosecond time-resolved photoelectron diffraction on gas-phase molecules in a pump–probe setup combining optical lasers and an X-ray free-electron laser. We present results of two experiments aimed at measuring photoelectron angular distributions of laser-aligned 1-ethynyl-4-fluorobenzene (C8H5F) and dissociating, laser-aligned 1,4-dibromobenzene (C6H4Br2) molecules and discuss them in the larger context of photoelectron diffrac...

  17. Monitoring Nonadiabatic Electron-Nuclear Dynamics in Molecules by Attosecond Streaking of Photoelectrons.

    Science.gov (United States)

    Kowalewski, Markus; Bennett, Kochise; Rouxel, Jérémy R; Mukamel, Shaul

    2016-07-22

    Streaking of photoelectrons has long been used for the temporal characterization of attosecond extreme ultraviolet pulses. When the time-resolved photoelectrons originate from a coherent superposition of electronic states, they carry additional phase information, which can be retrieved by the streaking technique. In this contribution we extend the streaking formalism to include coupled electron and nuclear dynamics in molecules as well as initial coherences. We demonstrate how streaked photoelectrons offer a novel tool for monitoring nonadiabatic dynamics as it occurs in the vicinity of conical intersections and avoided crossings. Streaking can provide high time resolution direct signatures of electronic coherences, which affect many primary photochemical and biological events.

  18. Monitoring Nonadiabatic Electron-Nuclear Dynamics in Molecules by Attosecond Streaking of Photoelectrons

    Science.gov (United States)

    Kowalewski, Markus; Bennett, Kochise; Rouxel, Jérémy R.; Mukamel, Shaul

    2016-07-01

    Streaking of photoelectrons has long been used for the temporal characterization of attosecond extreme ultraviolet pulses. When the time-resolved photoelectrons originate from a coherent superposition of electronic states, they carry additional phase information, which can be retrieved by the streaking technique. In this contribution we extend the streaking formalism to include coupled electron and nuclear dynamics in molecules as well as initial coherences. We demonstrate how streaked photoelectrons offer a novel tool for monitoring nonadiabatic dynamics as it occurs in the vicinity of conical intersections and avoided crossings. Streaking can provide high time resolution direct signatures of electronic coherences, which affect many primary photochemical and biological events.

  19. Assignment of benzodiazepine UV absorption spectra by the use of photoelectron spectroscopy

    Science.gov (United States)

    Khvostenko, O. G.; Tzeplin, E. E.; Lomakin, G. S.

    2002-04-01

    Correlations between singlet transition energies and energy gaps of corresponding pairs of occupied and unoccupied molecular orbitals were revealed in a series of benzodiazepines. The occupied orbital energies were taken from the photoelectron spectra of the compound investigated, the unoccupied ones were obtained from MNDO/d calculations, and the singlet energies were taken from the UV absorption spectra. The correspondence of the singlet transitions to certain molecular orbitals was established using MNDO/d calculations and comparing between UV and photoelectron spectra. It has been concluded that photoelectron spectroscopy can be applied for interpretation of UV absorption spectra of various compounds on the basis of similar correlations.

  20. Carrier Bulk-Lifetime Measurements

    Directory of Open Access Journals (Sweden)

    M. Solcansky

    2012-01-01

    Full Text Available For the measurement of the minority carrier bulk-lifetime the characterization method MW-PCD is used, where the result of measurement is the effective carrier lifetime, which is very dependent on the surface recombination velocity and therefore on the quality of a silicon surface passivation. This work deals with an examination of a different solution types for the chemical passivation of a silicon surface. Various solutions are tested on silicon wafers for their consequent comparison. The main purpose is to find optimal solution, which suits the requirements of a time stability and start-up velocity of passivation, reproducibility of the measurements and a possibility of a perfect cleaning of a passivating solution remains from a silicon surface, so that the parameters of a measured silicon wafer will not worsen and there will not be any contamination of the other wafers series in the production after a repetitive return of the measured wafer into the production process. The cleaning process itself is also a subject of a development.

  1. Coupling brane fields to bulk supergravity

    Energy Technology Data Exchange (ETDEWEB)

    Parameswaran, Susha L. [Uppsala Univ. (Sweden). Theoretical Physics; Schmidt, Jonas [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany)

    2010-12-15

    In this note we present a simple, general prescription for coupling brane localized fields to bulk supergravity. We illustrate the procedure by considering 6D N=2 bulk supergravity on a 2D orbifold, with brane fields localized at the fixed points. The resulting action enjoys the full 6D N=2 symmetries in the bulk, and those of 4D N=1 supergravity at the brane positions. (orig.)

  2. Relative entropy equals bulk relative entropy

    CERN Document Server

    Jafferis, Daniel L; Maldacena, Juan; Suh, S Josephine

    2015-01-01

    We consider the gravity dual of the modular Hamiltonian associated to a general subregion of a boundary theory. We use it to argue that the relative entropy of nearby states is given by the relative entropy in the bulk, to leading order in the bulk gravitational coupling. We also argue that the boundary modular flow is dual to the bulk modular flow in the entanglement wedge, with implications for entanglement wedge reconstruction.

  3. 33 CFR 127.313 - Bulk storage.

    Science.gov (United States)

    2010-07-01

    ...) WATERFRONT FACILITIES WATERFRONT FACILITIES HANDLING LIQUEFIED NATURAL GAS AND LIQUEFIED HAZARDOUS GAS Waterfront Facilities Handling Liquefied Natural Gas Operations § 127.313 Bulk storage. (a) The...

  4. Applications of bulk high-temperature superconductors

    Science.gov (United States)

    Hull, J. R.

    The development of high-temperature superconductors (HTS's) can be broadly generalized into thin-film electronics, wire applications, and bulk applications. We consider bulk HTS's to include sintered or crystallized forms that do not take the geometry of filaments or tapes, and we discuss major applications for these materials. For the most part applications may be realized with the HTS's cooled to 77 K, and the properties of the bulk HTS's are often already sufficient for commercial use. A non-exhaustive list of applications for bulk HTS's includes trapped field magnets, hysteresis motors, magnetic shielding, current leads, and magnetic bearings. These applications are briefly discussed in this paper.

  5. Hyperon bulk viscosity in strong magnetic fields

    CERN Document Server

    Sinha, Monika

    2008-01-01

    We study bulk viscosity in neutron star matter including $\\Lambda$ hyperons in the presence of quantizing magnetic fields. Relaxation time and bulk viscosity due to both the non-leptonic weak process involving $\\Lambda$ hyperons and the direct Urca (dUrca) process are calculated here. In the presence of a strong magnetic field, bulk viscosity coefficients are enhanced when protons, electrons and muons are populated in their respective zeroth Landau levels compared with the field free cases. The enhancement of bulk viscosity coefficient is larger for the dUrca case.

  6. Improving Photoelectron Counting and Particle Identification in Scintillation Detectors with Bayesian Techniques

    CERN Document Server

    Akashi-Ronquest, M; Batygov, M; Beltran, B; Bodmer, M; Boulay, M G; Broerman, B; Buck, B; Butcher, A; Cai, B; Caldwell, T; Chen, M; Chen, Y; Cleveland, B; Coakley, K; Dering, K; Duncan, F A; Formaggio, J A; Gagnon, R; Gastler, D; Giuliani, F; Gold, M; Golovko, V V; Gorel, P; Graham, K; Grace, E; Guerrero, N; Guiseppe, V; Hallin, A L; Harvey, P; Hearns, C; Henning, R; Hime, A; Hofgartner, J; Jaditz, S; Jillings, C J; Kachulis, C; Kearns, E; Kelsey, J; Klein, J R; Kuzniak, M; LaTorre, A; Lawson, I; Li, O; Lidgard, J J; Liimatainen, P; Linden, S; McFarlane, K; McKinsey, D N; MacMullin, S; Mastbaum, A; Mathew, R; McDonald, A B; Mei, D -M; Monroe, J; Muir, A; Nantais, C; Nicolics, K; Nikkel, J A; Noble, T; O'Dwyer, E; Olsen, K; Gann, G D Orebi; Ouellet, C; Palladino, K; Pasuthip, P; Perumpilly, G; Pollmann, T; Rau, P; Retiere, F; Rielage, K; Schnee, R; Seibert, S; Skensved, P; Sonley, T; Vazquez-Jauregui, E; Veloce, L; Walding, J; Wang, B; Wang, J; Ward, M; Zhang, C

    2014-01-01

    Many current and future dark matter and neutrino detectors are designed to measure scintillation light with a large array of photomultiplier tubes (PMTs). The energy resolution and particle identification capabilities of these detectors depend in part on the ability to accurately identify individual photoelectrons in PMT waveforms despite large variability in pulse amplitudes and pulse pileup. We describe a Bayesian technique that can identify the times of individual photoelectrons in a sampled PMT waveform without deconvolution, even when pileup is present. To demonstrate the technique, we apply it to the general problem of particle identification in single-phase liquid argon dark matter detectors. Using the output of the Bayesian photoelectron counting algorithm described in this paper, we construct several test statistics for rejection of backgrounds for dark matter searches in argon. Compared to simpler methods based on either observed charge or peak finding, the photoelectron counting technique improves ...

  7. Imaging electron dynamics with time- and angle-resolved photoelectron spectroscopy

    CERN Document Server

    Popova-Gorelova, Daria; Santra, Robin

    2016-01-01

    We theoretically study how time- and angle-resolved photoemission spectroscopy can be applied for imaging coherent electron dynamics in molecules. We consider a process in which a pump pulse triggers coherent electronic dynamics in a molecule by creating a valence electron hole. An ultrashort extreme ultraviolet (XUV) probe pulse creates a second electron hole in the molecule. Information about the electron dynamics is accessed by analyzing angular distributions of photoemission probabilities at a fixed photoelectron energy. We demonstrate that a rigorous theoretical analysis, which takes into account the indistinguishability of transitions induced by the ultrashort, broadband probe pulse and electron hole correlation effects, is necessary for the interpretation of time- and angle-resolved photoelectron spectra. We show how a Fourier analysis of time- and angle-resolved photoelectron spectra from a molecule can be applied to follow its electron dynamics by considering photoelectron distributions from an indol...

  8. Imaging molecular structure through femtosecond photoelectron diffraction on aligned and oriented gas-phase molecules.

    Science.gov (United States)

    Boll, Rebecca; Rouzée, Arnaud; Adolph, Marcus; Anielski, Denis; Aquila, Andrew; Bari, Sadia; Bomme, Cédric; Bostedt, Christoph; Bozek, John D; Chapman, Henry N; Christensen, Lauge; Coffee, Ryan; Coppola, Niccola; De, Sankar; Decleva, Piero; Epp, Sascha W; Erk, Benjamin; Filsinger, Frank; Foucar, Lutz; Gorkhover, Tais; Gumprecht, Lars; Hömke, André; Holmegaard, Lotte; Johnsson, Per; Kienitz, Jens S; Kierspel, Thomas; Krasniqi, Faton; Kühnel, Kai-Uwe; Maurer, Jochen; Messerschmidt, Marc; Moshammer, Robert; Müller, Nele L M; Rudek, Benedikt; Savelyev, Evgeny; Schlichting, Ilme; Schmidt, Carlo; Scholz, Frank; Schorb, Sebastian; Schulz, Joachim; Seltmann, Jörn; Stener, Mauro; Stern, Stephan; Techert, Simone; Thøgersen, Jan; Trippel, Sebastian; Viefhaus, Jens; Vrakking, Marc; Stapelfeldt, Henrik; Küpper, Jochen; Ullrich, Joachim; Rudenko, Artem; Rolles, Daniel

    2014-01-01

    This paper gives an account of our progress towards performing femtosecond time-resolved photoelectron diffraction on gas-phase molecules in a pump-probe setup combining optical lasers and an X-ray free-electron laser. We present results of two experiments aimed at measuring photoelectron angular distributions of laser-aligned 1-ethynyl-4-fluorobenzene (C(8)H(5)F) and dissociating, laser-aligned 1,4-dibromobenzene (C(6)H(4)Br(2)) molecules and discuss them in the larger context of photoelectron diffraction on gas-phase molecules. We also show how the strong nanosecond laser pulse used for adiabatically laser-aligning the molecules influences the measured electron and ion spectra and angular distributions, and discuss how this may affect the outcome of future time-resolved photoelectron diffraction experiments.

  9. Photoelectron angular distributions from photodetachment of negative ions in strong laser fields

    Energy Technology Data Exchange (ETDEWEB)

    Bai Lihua; Liu Yuheng; Cui Tingting; Wang Yan; Zhang Huifang; Deng Dongmei [Department of Physics, Shanghai University, Shanghai 200444 (China); Ren Xianghe, E-mail: lhbai@163.com [Institute of Advance Energy, Kyoto University, Gokasho, Uji, Kyoto, 611-0011 (Japan)

    2011-02-01

    Using a nonperturbative scattering theory, the photoelectron angular distributions (PADs) of negative ions irradiated by intense laser fields are studied. Various PADs are obtained. Similar to that of atoms, PADs of negative ions show main lobes and jet-like structures. Here, the main lobe means the formation of the detached photoelectrons around the direction of laser polarization, while the jet-like structure means a peaked-out formation of photoelectrons emitted from the waist between the two main lobes. For a set of above-threshold-detachment peaks, with one-more-photon absorption, the number of the jet-like structures is not always increased by one, which verifies that the jet-like structures are irrelevant to photoelectron angular momentum.

  10. Time-resolved photoelectron spectroscopy and ab initio multiple spawning studies of hexamethylcyclopentadiene

    DEFF Research Database (Denmark)

    Wolf, T. J. A.; Kuhlman, Thomas Scheby; Schalk, O.

    2014-01-01

    Time-resolved photoelectron spectroscopy and ab initio multiple spawning were applied to the ultrafast non-adiabatic dynamics of hexamethylcyclopentadiene. The high level of agreement between experiment and theory associates wavepacket motion with a distinct degree of freedom....

  11. Imaging Molecular Structure through Femtosecond Photoelectron Diffraction on Aligned and Oriented Gas-Phase Molecules

    CERN Document Server

    Boll, R; Adolph, M; Anielski, D; Aquila, A; Bari, S; Bomme, C; Bostedt, C; Bozek, J D; Chapman, H N; Christensen, L; Coffee, R; Coppola, N; De, S; Decleva, P; Epp, S W; Erk, B; Filsinger, F; Foucar, L; Gorkhover, T; Gumprecht, L; Hoemke, A; Holmegaard, L; Johnsson, P; Kienitz, J S; Kierspel, T; Krasniqi, F; Kuehnel, K -U; Maurer, J; Messerschmidt, M; Moshammer, R; Mueller, Nele L M; Rudek, B; Savelyev, E; Schlichting, I; Schmidt, C; Scholz, F; Schorb, S; Schulz, J; Seltmann, J; Stener, M; Stern, S; Techert, S; Thogersen, J; Trippel, S; Viefhaus, J; Vrakking, M; Stapelfeldt, H; Kuepper, J; Ullrich, J; Rudenko, A; Rolles, D

    2014-01-01

    This paper gives an account of our progress towards performing femtosecond time-resolved photoelectron diffraction on gas-phase molecules in a pump-probe setup combining optical lasers and an X-ray Free-Electron Laser. We present results of two experiments aimed at measuring photoelectron angular distributions of laser-aligned 1-ethynyl-4-fluorobenzene (C8H5F) and dissociating, laseraligned 1,4-dibromobenzene (C6H4Br2) molecules and discuss them in the larger context of photoelectron diffraction on gas-phase molecules. We also show how the strong nanosecond laser pulse used for adiabatically laser-aligning the molecules influences the measured electron and ion spectra and angular distributions, and discuss how this may affect the outcome of future time-resolved photoelectron diffraction experiments.

  12. Time-resolved photoelectron spectroscopy of non-adiabatic dynamics in polyatomic molecules

    CERN Document Server

    Stolow, Albert

    2015-01-01

    This review article discusses advances in the use of time-resolved photoelectron spectroscopy for the study of non-adiabatic processes in molecules. A theoretical treatment of the experiments is presented together with a number of experimental examples.

  13. Probing and extracting the structure of vibrating SF6 molecules with inner-shell photoelectrons

    Science.gov (United States)

    Nguyen, Ngoc-Ty; Lucchese, R. R.; Lin, C. D.; Le, Anh-Thu

    2016-06-01

    We propose a scheme for probing the structure of vibrating molecules with photoelectrons generated from ultrashort soft-x-ray pulses. As an example we analyze below-100-eV photoelectrons liberated from the S (2 p ) orbital of vibrating SF6 molecules to image very small structural changes of molecular vibration. In particular, photoionization cross sections and photoelectron angular distributions (PAD) at nonequilibrium geometries can be retrieved accurately with photoelectrons near the shape resonance at 13 eV. This is achieved with a pump-probe scheme, in which the symmetric stretch mode is first Raman excited predominantly by a relatively short laser pulse and then later probed at different time delays by a few-femtosecond soft-x-ray pulse with photon energy near 200 eV.

  14. Preparation of Ag/TiO2/ITO UV Detector and Its Photoelectronic Properties

    Directory of Open Access Journals (Sweden)

    DAI Songyan

    2016-12-01

    Full Text Available TiO2-based UV detectors with Ag antidot/TiO2/ITO sandwich structure were prepared by RF magnetron sputtering and colloidal crystal template technology. The microstructure and photoelectronic properties of the UV detectors were investigated by SEM, XRD, four point probe and semiconductor parameter instrument. The experimental results show that pore size of Ag antidot has an obvious effect on the photoelectronic properties of the detectors. With the increase of pore size, the dark current increases and the response time is prolonged, while the photocurrent is increased at first, then is decreased. Meanwhile, it is found that photoelectronic properties are optimum when the pore size is 4.2 μm. Antidot array electrodes with large pore size possess higher electrical conductivity, lower ultraviolet transmittance and higher recombination probability of electron-hole pair. Therefore, the pore size variation exhibits significant effluence on the photoelectronic properties of the UV detector.

  15. Photoelectron spectroscopy and density functional theory study of ConO- (n = 1-3)

    Science.gov (United States)

    Li, Ren-Zhong; Liang, Jun; Xu, Xi-Ling; Xu, Hong-Guang; Zheng, Wei-Jun

    2013-06-01

    ConO- (n = 1-3) clusters were investigated with photoelectron spectroscopy and density functional calculations. The vertical detachment energies (VDEs) of ConO- (n = 1-3) were measured to be 1.54 ± 0.04, 1.43 ± 0.08, and 1.42 ± 0.08 eV respectively from their photoelectron spectra. The electron affinity and term energy of CoO were determined to be 1.54 ± 0.04 eV and 0.31 ± 0.04 eV respectively based on the vibrationally resolved photoelectron spectrum of CoO- and theoretical calculations. The structures of ConO- (n = 1-3) were determined by comparison of photoelectron experiments and calculations. The analysis of molecular orbitals shows that the HOMOs of ConO- (n = 1-3) cluster anions are mainly localized on the Co atoms.

  16. Long-Range Coulomb Effect in Intense Laser-Driven Photoelectron Dynamics

    Science.gov (United States)

    Quan, Wei; Hao, Xiaolei; Chen, Yongju; Yu, Shaogang; Xu, Songpo; Wang, Yanlan; Sun, Renping; Lai, Xuanyang; Wu, Chengyin; Gong, Qihuang; He, Xiantu; Liu, Xiaojun; Chen, Jing

    2016-06-01

    In strong field atomic physics community, long-range Coulomb interaction has for a long time been overlooked and its significant role in intense laser-driven photoelectron dynamics eluded experimental observations. Here we report an experimental investigation of the effect of long-range Coulomb potential on the dynamics of near-zero-momentum photoelectrons produced in photo-ionization process of noble gas atoms in intense midinfrared laser pulses. By exploring the dependence of photoelectron distributions near zero momentum on laser intensity and wavelength, we unambiguously demonstrate that the long-range tail of the Coulomb potential (i.e., up to several hundreds atomic units) plays an important role in determining the photoelectron dynamics after the pulse ends.

  17. Photoelectron spectroscopy on doped organic semiconductors and related interfaces

    Energy Technology Data Exchange (ETDEWEB)

    Olthof, Selina Sandra

    2010-06-08

    Using photoelectron spectroscopy, we show measurements of energy level alignment of organic semiconducting layers. The main focus is on the properties and the influence of doped layers. The investigations on the p-doping process in organic semiconductors show typical charge carrier concentrations up to 2.10{sup 20} cm{sup -3}. By a variation of the doping concentration, an over proportional influence on the position of the Fermi energy is observed. Comparing the number of charge carriers with the amount of dopants present in the layer, it is found that only 5% of the dopants undergo a full charge transfer. Furthermore, a detailed investigation of the density of states beyond the HOMO onset reveals that an exponentially decaying density of states reaches further into the band gap than commonly assumed. For an increasing amount of doping, the Fermi energy gets pinned on these states which suggests that a significant amount of charge carriers is present there. The investigation of metal top and bottom contacts aims at understanding the asymmetric current-voltage characteristics found for some symmetrically built device stacks. It can be shown that a reaction between the atoms from the top contact with the molecules of the layer leads to a change in energy level alignment that produces a 1.16 eV lower electron injection barrier from the top. Further detailed investigations on such contacts show that the formation of a silver top contact is dominated by diffusion processes, leading to a broadened interface. However, upon insertion of a thin aluminum interlayer this diffusion can be stopped and an abrupt interface is achieved. Furthermore, in the case of a thick silver top contact, a monolayer of molecules is found to oat on top of the metal layer, almost independent on the metal layer thickness. Finally, several device stacks are investigated, regarding interface dipoles, formation of depletion regions, energy alignment in mixed layers, and the influence of the built

  18. Evaluation of Photoelectron Therapy Effect on Hepatocellular Carcinoma

    Directory of Open Access Journals (Sweden)

    bahram Mofid

    2007-10-01

    Full Text Available Mofid B1, Navabpoor M2, Alizadeh Azimi M3 1. Assistant professor, Department of Radiotherapy, Faculty of Para-Medicine, Shahid Beheshti University of medical sciences 2. Instructor, Department of Technology of radiology, Faculty of Para-Medicine, Shahid Beheshti University of medical sciences Abstract Background: Photoelectron therapy method has been usad successfully, on the body phantom, cancer cells culture and animals. In this method, drugs containing x-Ray opaque factors–with high atomic numbers–are injected into the patient’s vein. After appropriate drug accumulation, about at least ten percent of the total injected amounts, 200kev. up to 300kev. of localized x-Ray beams is radiated to the site of the tumor. The Ethic Committee of Shahid Beheshti University of Medical Education and Health Services authorized the implementation of this new cancer treatment method, initially only on the group of patients who suffered from hepato-cellular carcinoma. Hepato cellular carcinoma is one of the most current malignancies of liver. In some cases, in addition to surgery, several approaches exist to come near the aim of predominating hepato-cellular carcinoma such as chemotherapy, current Radiation Therapy, Radio-Frequency application (RF, Trans-Artepical Chemo Embolization, (TACE, and Percutaneous Ethanol Injection (PEI. The effectiveness of the above-mentioned methods is about 10%-47%, applied alone or along side each other. Materials and methods: This study was a clinical-trial one. In this study, first, lipiodol (an x-ray opaque material with a high atomic number was transferred into the main vessel terminating to the tumor by angio-catheterization. Then,200kev. up to 250kev. of localized x-ray was radiated to the site of the tumor in one session. The drug volume was proportionally selected to the volume of the tumor, and the irradiation intensity was between 400 to 600cent.Gy. the beam energy absorption capacity of this drug is as times as

  19. Photoelectron Emission from Metal Surfaces Induced by VUV-emission of Filament Driven Hydrogen Arc Discharge Plasma

    CERN Document Server

    Laulainen, J; Koivisto, H; Komppula, J; Tarvainen, O

    2015-01-01

    Photoelectron emission measurements have been performed using a filament-driven multi-cusp arc discharge volume production H^- ion source (LIISA). It has been found that photoelectron currents obtained with Al, Cu, Mo, Ta and stainless steel (SAE 304) are on the same order of magnitude. The photoelectron currents depend linearly on the discharge power. It is shown experimentally that photoelectron emission is significant only in the short wavelength range of hydrogen spectrum due to the energy dependence of the quantum efficiency. It is estimated from the measured data that the maximum photoelectron flux from plasma chamber walls is on the order of 1 A per kW of discharge power.

  20. Photoelectron emission from metal surfaces induced by VUV-emission of filament driven hydrogen arc discharge plasma

    Science.gov (United States)

    Laulainen, J.; Kalvas, T.; Koivisto, H.; Komppula, J.; Tarvainen, O.

    2015-04-01

    Photoelectron emission measurements have been performed using a filament-driven multi-cusp arc discharge volume production H- ion source (LIISA). It has been found that photoelectron currents obtained with Al, Cu, Mo, Ta and stainless steel (SAE 304) are on the same order of magnitude. The photoelectron currents depend linearly on the discharge power. It is shown experimentally that photoelectron emission is significant only in the short wavelength range of hydrogen spectrum due to the energy dependence of the quantum efficiency. It is estimated from the measured data that the maximum photoelectron flux from plasma chamber walls is on the order of 1 A per kW of discharge power.

  1. Communication: Coupled-cluster interpretation of the photoelectron spectrum of Au{sub 3}{sup −}

    Energy Technology Data Exchange (ETDEWEB)

    Bauman, Nicholas P.; Piecuch, Piotr, E-mail: piecuch@chemistry.msu.edu [Department of Chemistry, Michigan State University, East Lansing, Michigan 48824 (United States); Hansen, Jared A. [Department of Chemistry, Michigan State University, East Lansing, Michigan 48824 (United States); Institute for Molecular Science and Research Center for Computational Science, Okazaki 444-8585 (Japan); Ehara, Masahiro, E-mail: ehara@ims.ac.jp [Institute for Molecular Science and Research Center for Computational Science, Okazaki 444-8585 (Japan); Elements Strategy Initiative for Catalysts and Batteries (ESICB), Kyoto University, Kyoto 615-8245 (Japan)

    2014-09-14

    We use the scalar relativistic ionized equation-of-motion coupled-cluster approaches, correlating valence and semi-core electrons and including up to 3-hole-2-particle terms in the ionizing operator, to investigate the photoelectron spectrum of Au{sub 3}{sup −}. We provide an accurate assignment of peaks and shoulders in the experimental photoelectron spectrum of Au{sub 3}{sup −} for the first time.

  2. Implementation of Inverse Photoelectron Spectroscopy for Measuring the Empty Electronic States of Metal Oxide Surfaces

    Science.gov (United States)

    2014-11-05

    turbomolecular pump were also purchased from the DURIP funds. This equipment was installed in an existing photoelectron spectrometer in the Whitten group...auxiliary equipment, including a mass spectrometer for thermal desorption and a Kelvin probe. Figure 1: Photograph of the photoelectron spectrometer at...hydroxides and oxides and how this is affected by adsorption of hazardous gases. Ultimately, we are interested in correlating adsorbate-induced changes in

  3. Evaluation of the band alignment and valence plasmonic features of a DIBS grown Ga-doped Mg0.05Zn0.95O/CIGSe heterojunction by photoelectron spectroscopy

    Science.gov (United States)

    Awasthi, Vishnu; Pandey, Sushil Kumar; Kumar, Shailendra; Mukherjee, C.; Gupta, Mukul; Mukherjee, Shaibal

    2015-12-01

    The bandgap alignment of a Ga-doped MgZnO (GMZO)/CIGSe heterojunction exposed to short duration Ar+  ion beam sputtering has been investigated by ultraviolet photoelectron spectroscopy measurement. The offset values at the valence and conduction band of the GMZO/CIGSe hetrojunction are calculated to be 2.69 and  -0.63 eV, respectively. Moreover, the valence band onsets of GMZO and CIGSe thin films before and after few minutes Ar+ ion sputtering have been investigated. The presented study demonstrates the photoelectron-induced generation of resonant valence bulk and surface plasmonic features of various metal and metal oxide nanoclusters embedded within a GMZO matrix. The presence of such nanoclusters is proven to be beneficial in realizing cost-effective, ultra-thin, and high-performance photovoltaics based on the heterojunction.

  4. Competition between organics and bromide at the aqueous solution-air interface as seen from ozone uptake kinetics and X-ray photoelectron spectroscopy.

    Science.gov (United States)

    Lee, Ming-Tao; Brown, Matthew A; Kato, Shunsuke; Kleibert, Armin; Türler, Andreas; Ammann, Markus

    2015-05-14

    A more detailed understanding of the heterogeneous chemistry of halogenated species in the marine boundary layer is required. Here, we studied the reaction of ozone (O3) with NaBr solutions in the presence and absence of citric acid (C6H8O7) under ambient conditions. Citric acid is used as a proxy for oxidized organic material present at the ocean surface or in sea spray aerosol. On neat NaBr solutions, the observed kinetics is consistent with bulk reaction-limited uptake, and a second-order rate constant for the reaction of O3 + Br(-) is 57 ± 10 M(-1) s(-1). On mixed NaBr-citric acid aqueous solutions, the uptake kinetics was faster than that predicted by bulk reaction-limited uptake and also faster than expected based on an acid-catalyzed mechanism. X-ray photoelectron spectroscopy (XPS) on a liquid microjet of the same solutions at 1.0 × 10(-3)-1.0 × 10(-4) mbar was used to obtain quantitative insight into the interfacial composition relative to that of the bulk solutions. It revealed that the bromide anion becomes depleted by 30 ± 10% while the sodium cation gets enhanced by 40 ± 20% at the aqueous solution-air interface of a 0.12 M NaBr solution mixed with 2.5 M citric acid in the bulk, attributed to the role of citric acid as a weak surfactant. Therefore, the enhanced reactivity of bromide solutions observed in the presence of citric acid is not necessarily attributable to a surface reaction but could also result from an increased solubility of ozone at higher citric acid concentrations. Whether the acid-catalyzed chemistry may have a larger effect on the surface than in the bulk to offset the effect of bromide depletion also remains open.

  5. Band structures of 4f and 5f materials studied by angle-resolved photoelectron spectroscopy

    Science.gov (United States)

    Fujimori, Shin-ichi

    2016-04-01

    Recent remarkable progress in angle-resolved photoelectron spectroscopy (ARPES) has enabled the direct observation of the band structures of 4f and 5f materials. In particular, ARPES with various light sources such as lasers (hν ∼ 7~\\text{eV} ) or high-energy synchrotron radiations (hν ≳ 400~\\text{eV} ) has shed light on the bulk band structures of strongly correlated materials with energy scales of a few millielectronvolts to several electronvolts. The purpose of this paper is to summarize the behaviors of 4f and 5f band structures of various rare-earth and actinide materials observed by modern ARPES techniques, and understand how they can be described using various theoretical frameworks. For 4f-electron materials, ARPES studies of \\text{Ce}M\\text{I}{{\\text{n}}5} (M=\\text{Rh} , \\text{Ir} , and \\text{Co} ) and \\text{YbR}{{\\text{h}}2}\\text{S}{{\\text{i}}2} with various incident photon energies are summarized. We demonstrate that their 4f electronic structures are essentially described within the framework of the periodic Anderson model, and that the band-structure calculation based on the local density approximation cannot explain their low-energy electronic structures. Meanwhile, electronic structures of 5f materials exhibit wide varieties ranging from itinerant to localized states. For itinerant \\text{U}~5f compounds such as \\text{UFeG}{{\\text{a}}5} , their electronic structures can be well-described by the band-structure calculation assuming that all \\text{U}~5f electrons are itinerant. In contrast, the band structures of localized \\text{U}~5f compounds such as \\text{UP}{{\\text{d}}3} and \\text{U}{{\\text{O}}2} are essentially explained by the localized model that treats \\text{U}~5f electrons as localized core states. In regards to heavy fermion \\text{U} -based compounds such as the hidden-order compound \\text{UR}{{\\text{u}}2}\\text{S}{{\\text{i}}2} , their electronic structures exhibit complex behaviors. Their overall band structures

  6. The Ultraviolet Photoelectron Spectroscopy of Group IV 2-15 Atom Cluster Anions

    Science.gov (United States)

    Craycraft, Mary Jo.

    The ability to map valence electronic structure is the result of a recent advance in photoelectron spectroscopy; its union with cluster molecular beam technology. The task of interpreting the spectra is hampered by a serious lack of understanding of cluster electronic structure in general. Recently progress has been made in finding models for single s valence electron systems. Alkali and noble metal clusters can be treated as free electron systems and simple interatomic potentials can be used with rare gas clusters. Neither a smeared jellium background nor a simple interatomic potential is adequate to describe covalent bonding, however. The isoelectronic Group IV members have a valence configuration of ns^2 np^2. All readily form clusters, and the elements differ in both their atomic and bulk properties; thus the series provides an ideal system for studying electronic structure. The mass selected cluster ion beam is crossed with a beam (6.42 or 7.9eV) and the resulting photodetached electrons collected with the aid of judiciously arranged magnetic fields. The spectra are found to be unique for each size cluster. Some spectra show a significant gap between the two lowest binding energy features, indicating that the neutral cluster is a closed shell species. The clusters with such gaps are minima in a plot of EA as a function of cluster size. The UPS also vary with the cluster composition. Carbon is unique; an even -odd alternation in electron affinities switches from odd minima for clusters containing less than ten atoms to odd maxima for larger clusters. This corresponds with an alternation in singlet and triplet ground states and a switch from chain to ring structures previously predicted by theory (K. S. Pitzer, E. Clementi, J. Amer. Chem. Soc. 81 4477 (1958) and R. Hoffmann, Tetrahedron 22 521 (1965)). The spectra of the remaining group IV members are remarkably similar to each other for clusters of up to ten atoms, as is the trend in the electron affinities as

  7. 27 CFR 20.191 - Bulk articles.

    Science.gov (United States)

    2010-04-01

    ... 27 Alcohol, Tobacco Products and Firearms 1 2010-04-01 2010-04-01 false Bulk articles. 20.191... Users of Specially Denatured Spirits Operations by Users § 20.191 Bulk articles. Users who convey articles in containers exceeding one gallon may provide the recipient with a photocopy of subpart G of...

  8. Bulk equations of motion from CFT correlators

    CERN Document Server

    Kabat, Daniel

    2015-01-01

    To O(1/N) we derive, purely from CFT data, the bulk equations of motion for interacting scalar fields and for scalars coupled to gauge fields and gravity. We first uplift CFT operators to mimic local AdS fields by imposing bulk microcausality. This requires adding an infinite tower of smeared higher-dimension double-trace operators to the CFT definition of a bulk field, with coefficients that we explicitly compute. By summing the contribution of the higher-dimension operators we derive the equations of motion satisfied by these uplifted CFT operators and show that we precisely recover the expected bulk equations of motion. We exhibit the freedom in the CFT construction which corresponds to bulk field redefinitions.

  9. Bulk equations of motion from CFT correlators

    Energy Technology Data Exchange (ETDEWEB)

    Kabat, Daniel [Department of Physics and Astronomy,Lehman College, City University of New York, Bronx NY 10468 (United States); Lifschytz, Gilad [Department of Physics and Astronomy,Lehman College, City University of New York, Bronx NY 10468 (United States); Physics Department,City College, City University of New York, New York NY 10031 (United States); Department of Mathematics and Physics,University of Haifa at Oranim, Kiryat Tivon 36006 (Israel)

    2015-09-10

    To O(1/N) we derive, purely from CFT data, the bulk equations of motion for interacting scalar fields and for scalars coupled to gauge fields and gravity. We first uplift CFT operators to mimic local AdS fields by imposing bulk microcausality. This requires adding an infinite tower of smeared higher-dimension double-trace operators to the CFT definition of a bulk field, with coefficients that we explicitly compute. By summing the contribution of the higher-dimension operators we derive the equations of motion satisfied by these uplifted CFT operators and show that we precisely recover the expected bulk equations of motion. We exhibit the freedom in the CFT construction which corresponds to bulk field redefinitions.

  10. Photoelectron Yield and Photon Reflectivity from Candidate LHC Vacuum Chamber Materials with Implications to the Vacuum Chamber Design

    CERN Document Server

    Baglin, V; Gröbner, Oswald

    1998-01-01

    Studies of the photoelectron yield and photon reflectivity at grazing incidence (11 mrad) from candidate LHC vacuum chamber materials have been made on a dedicated beam line on the Electron Positron A ccumulator (EPA) ring at CERN. These measurements provide realistic input toward a better understanding of the electron cloud phenomena expected in the LHC. The measurements were made using synchrotro n radiation with critical photon energies of 194 eV and 45 eV; the latter corresponding to that of the LHC at the design energy of 7 TeV. The test materials are mainly copper, either, i) coated by co- lamination or by electroplating onto stainless steel, or ii) bulk copper prepared by special machining. The key parameters explored were the effect of surface roughness on the reflectivity and the pho toelectron yield at grazing photon incidence, and the effect of magnetic field direction on the yields measured at normal photon incidence. The implications of the results on the electron cloud phenom ena, and thus the L...

  11. Adsorption, X-ray Diffraction, Photoelectron, and Atomic Emission Spectroscopy Benchmark Studies for the Eighth Industrial Fluid Properties Simulation Challenge*+

    Science.gov (United States)

    Ross, Richard B.; Aeschliman, David B.; Ahmad, Riaz; Brennan, John K.; Brostrom, Myles L.; Frankel, Kevin A.; Moore, Jonathan D.; Moore, Joshua D.; Mountain, Raymond D.; Poirier, Derrick M.; Thommes, Matthias; Shen, Vincent K.; Schultz, Nathan E.; Siderius, Daniel W.; Smith, Kenneth D.

    2016-01-01

    The primary goal of the eighth industrial fluid properties simulation challenge was to test the ability of molecular simulation methods to predict the adsorption of organic adsorbates in activated carbon materials. The challenge focused on the adsorption of perfluorohexane in the activated carbon standard BAM-P109 (Panne and Thünemann 2010). Entrants were challenged to predict the adsorption of perfluorohexane in the activated carbon at a temperature of 273 K and at relative pressures of 0.1, 0.3, and 0.6. The relative pressure (P/Po) is defined as that relative to the bulk saturation pressure predicted by the fluid model at a given temperature (273 K in this case). The predictions were judged by comparison to a set of experimentally determined values, which are published here for the first time and were not disclosed to the entrants prior to the challenge. Benchmark experimental studies, described herein, were also carried out and provided to entrants in order to aid in the development of new force fields and simulation methods to be employed in the challenge. These studies included argon, carbon dioxide, and water adsorption in the BAM-P109 activated carbon as well as X-ray diffraction, X-ray microtomography, photoelectron spectroscopy, and atomic emission spectroscopy studies of BAM-P109. Several concurrent studies were carried out for the BAM-P108 activated carbon (Panne and Thünemann 2010). These are included in the current manuscript for comparison. PMID:27840543

  12. Reversible Bulk Oxidation of Ni Foil During Oscillatory Catalytic Oxidation of Propane: A Novel Type of Spatiotemporal Self-Organization

    Science.gov (United States)

    Kaichev, V. V.; Saraev, A. A.; Gladky, A. Yu.; Prosvirin, I. P.; Blume, R.; Teschner, D.; Hävecker, M.; Knop-Gericke, A.; Schlögl, R.; Bukhtiyarov, V. I.

    2017-07-01

    A novel type of temporal and spatial self-organization in a heterogeneous catalytic reaction is described for the first time. Using in situ x-ray photoelectron spectroscopy, gas chromatography, and mass spectrometry, we show that, under certain conditions, self-sustained reaction-rate oscillations arise in the oxidation of propane over Ni foil because of reversible bulk oxidation of Ni to NiO, which can be observed even with the naked eye as chemical waves propagating over the catalyst surface.

  13. Photoelectron spectroscopy of the hydroxymethoxide anion, H2C(OH)O-

    Science.gov (United States)

    Oliveira, Allan M.; Lehman, Julia H.; McCoy, Anne B.; Lineberger, W. Carl

    2016-09-01

    We report the negative ion photoelectron spectroscopy of the hydroxymethoxide anion, H2C(OH)O-. The photoelectron spectra show that 3.49 eV photodetachment produces two distinct electronic states of the neutral hydroxymethoxy radical (H2C(OH)Oṡ). The H2C(OH)Oṡ ground state (X ˜ 2A) photoelectron spectrum exhibits a vibrational progression consisting primarily of the OCO symmetric and asymmetric stretches, the OCO bend, as well as combination bands involving these modes with other, lower frequency modes. A high-resolution photoelectron spectrum aids in the assignment of several vibrational frequencies of the neutral H2C(OH)Oṡ radical, including an experimental determination of the H2C(OH)Oṡ 2ν12 overtone of the H-OCO torsional vibration as 220(10) cm-1. The electron affinity of H2C(OH)Oṡ is determined to be 2.220(2) eV. The low-lying A ˜ 2A excited state is also observed, with a spectrum that peaks ˜0.8 eV above the X ˜ 2A state origin. The A ˜ 2A state photoelectron spectrum is a broad, partially resolved band. Quantum chemical calculations and photoelectron simulations aid in the interpretation of the photoelectron spectra. In addition, the gas phase acidity of methanediol is calculated to be 366(2) kcal mol-1, which results in an OH bond dissociation energy, D0(H2C(OH)O-H), of 104(2) kcal mol-1, using the experimentally determined electron affinity of the hydroxymethoxy radical.

  14. The nature of the water nucleation sites on TiO2(110) surfacesrelvealed by ambient pressure x-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Ketteler, Guido; Yamamoto, Susumu; Bluhm, Hendrik; Andersson,Klas; Starr, David E.; Ogletree, D. Frank; Ogasawara, Hirohito; Nilsson,Anders; Salmeron, Miquel

    2007-05-01

    X-ray photoelectron spectroscopy at ambient conditions of pressure (up to 1.5 Torr) and temperature (265Kbulk liquid (45 kJ/mol). A model is proposed that relates the structure of the oxide surface to its hydrophilic character.

  15. Thermodynamic Equilibrium Studies of Nanocrystallite CeO2 Grain Boundaries by High Temperature X-Ray Photoelectron Spectroscopy and Thermal Gravimetric Analysis

    Institute of Scientific and Technical Information of China (English)

    LIU Zhen-Xiang; XIE Kan

    2000-01-01

    Nanostructured CeO2 thin films and powders are studied by high temperature x-ray photoelectron spectroscopy and thermal gravimetric analysis. The results indicate that the surface composition strongly depends on temperature, the surface O/Ce ratio initially increases with increasing temperature, then decreases with the further increase of temperature, the maximum surface O/Ce ratio is at about 300℃ C. The variation of the surface composition with temperature arises from the ion migration, redistribution and transformation between lattice oxygen and gas phase oxygen near the grain boundaries during the thermodynamic equilibrium process. The results also show that CeO2 has a weakly bond oxygen, high oxygen mobility in the bulk and a high molecular dissociation rate at the surface, especially for the sol-gel prepared nanocrystallite CeO2.

  16. Holographic representation of local bulk operators

    CERN Document Server

    Hamilton, A; Lifschytz, G; Lowe, D A; Hamilton, Alex; Kabat, Daniel; Lifschytz, Gilad; Lowe, David A.

    2006-01-01

    The Lorentzian AdS/CFT correspondence implies a map between local operators in supergravity and non-local operators in the CFT. By explicit computation we construct CFT operators which are dual to local bulk fields in the semiclassical limit. The computation is done for general dimension in global, Poincare and Rindler coordinates. We find that the CFT operators can be taken to have compact support in a region of the complexified boundary whose size is set by the bulk radial position. We show that at finite N the number of independent commuting operators localized within a bulk volume saturates the holographic bound.

  17. Photoelectron spectra with QPROP and t-SURFF

    Science.gov (United States)

    Mosert, Volker; Bauer, Dieter

    2016-10-01

    Calculating strong-field, momentum-resolved photoelectron spectra (PES) from numerical solutions of the time-dependent Schrödinger equation (TDSE) is a very demanding task due to the large spatial excursions and drifts of electrons in intense laser fields. The time-dependent surface flux (t-SURFF) method for the calculation of PES [Tao and Scrinzi (2012)] allows to keep the numerical grid much smaller than the space over which the wavefunction would be spread at the end of the laser pulse. We present an implementation of the t-SURFF method in the well established TDSE-solver QPROP [Bauer and Koval (2006)]. QPROP efficiently propagates wavefunctions for single-active electron systems with spherically symmetric binding potentials in classical, linearly (along z) or elliptically (in the xy-plane) polarized laser fields in dipole approximation. Its combination with t-SURFF makes the simulation of PES feasible in cases where it is just too expensive to keep the entire wavefunction on the numerical grid, e.g., in the long-wavelength or long-pulse regime. Catalogue identifier: ADXB_v2_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADXB_v2_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: GNU General Public License, version 3 No. of lines in distributed program, including test data, etc.: 12458 No. of bytes in distributed program, including test data, etc.: 86258 Distribution format: at.gz Programming language: C++. Computer: x86_64. Operating system: Linux. RAM: The memory requirements for calculating PES are determined by the maximum ℓ in the spherical harmonics expansion of the wave function and the number of momentum (or energy) values for which the PES are to be calculated. The example with the largest memory demand (large-clubs) uses approximately 6GB of RAM. The size of the numerical representation of a wavefunction during propagation is modest for the examples included (53 MB for the large

  18. Symmetry adapted cluster-configuration interaction calculation of the photoelectron spectra of famous biological active steroids

    Science.gov (United States)

    Abyar, Fatemeh; Farrokhpour, Hossein

    2014-11-01

    The photoelectron spectra of some famous steroids, important in biology, were calculated in the gas phase. The selected steroids were 5α-androstane-3,11,17-trione, 4-androstane-3,11,17-trione, cortisol, cortisone, corticosterone, dexamethasone, estradiol and cholesterol. The calculations were performed employing symmetry-adapted cluster/configuration interaction (SAC-CI) method using the 6-311++G(2df,pd) basis set. The population ratios of conformers of each steroid were calculated and used for simulating the photoelectron spectrum of steroid. It was found that more than one conformer contribute to the photoelectron spectra of some steroids. To confirm the calculated photoelectron spectra, they compared with their corresponding experimental spectra. There were no experimental gas phase Hesbnd I photoelectron spectra for some of the steroids of this work in the literature and their calculated spectra can show a part of intrinsic characteristics of this molecules in the gas phase. The canonical molecular orbitals involved in the ionization of each steroid were calculated at the HF/6-311++g(d,p) level of theory. The spectral bands of each steroid were assigned by natural bonding orbital (NBO) calculations. Knowing the electronic structures of steroids helps us to understand their biological activities and find which sites of steroid become active when a modification is performing under a biological pathway.

  19. Superconducting bulk magnets for magnetic levitation systems

    Science.gov (United States)

    Fujimoto, H.; Kamijo, H.

    2000-06-01

    The major applications of high-temperature superconductors have mostly been confined to products in the form of wires and thin films. However, recent developments show that rare-earth REBa 2Cu 3O 7- x and light rare-earth LREBa 2Cu 3O 7- x superconductors prepared by melt processes have a high critical-current density at 77 K and high magnetic fields. These superconductors will promote the application of bulk high-temperature superconductors in high magnetic fields; the superconducting bulk magnet for the Maglev train is one possible application. We investigated the possibility of using bulk magnets in the Maglev system, and examined flux-trapping characteristics of multi-superconducting bulks arranged in array.

  20. Measuring Bulk Flows in Large Scale Surveys

    CERN Document Server

    Feldman, H A; Feldman, Hume A.; Watkins, Richard

    1993-01-01

    We follow a formalism presented by Kaiser to calculate the variance of bulk flows in large scale surveys. We apply the formalism to a mock survey of Abell clusters \\'a la Lauer \\& Postman and find the variance in the expected bulk velocities in a universe with CDM, MDM and IRAS--QDOT power spectra. We calculate the velocity variance as a function of the 1--D velocity dispersion of the clusters and the size of the survey.

  1. The Bulk Multicore Architecture for Improved Programmability

    Science.gov (United States)

    2009-12-01

    algorithm, forcing the same order of chunk commits as in the recording step. This design, which we call PicoLog , typically incurs a performance cost... PicoLog . Data-race detection at production- run speed. The Bulk Multicore can support an efficient data-race detec- tor based on the “happens-before...Bulk Multicore (a), with a possible OrderOnly execution log (b) and PicoLog execution log (c). contributed articles DECEMBER 2009 | VOL. 52

  2. A photoelectron spectroscopic investigation of vinyl fluoride (C{sub 2}H{sub 3}F): the HeI, threshold and CIS photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Locht, R; Leyh, B [Laboratoire de Dynamique Moleculaire, Departement de Chimie, Institut de Chimie, Bat.B6c, Universite de Liege, Sart-Tilman par B-4000 Liege 1 (Belgium); Dehareng, D [Centre d' Ingenierie des Proteines, Institut de Chimie, Bat.B6a, Universite de Liege, Sart-Tilman par B-4000 Liege 1 (Belgium); Hottmann, K; Baumgaertel, H, E-mail: robert.locht@ulg.ac.b [Institut fuer Physikalische und Theoretische Chemie, Freie Universitaet Berlin, Takustrasse 3, D-14195 Berlin (Germany)

    2010-01-14

    The threshold photoelectron spectrum (TPES) and the constant ion state (CIS) spectra of the individual ionic states of C{sub 2}H{sub 3}F have been recorded using synchrotron radiation. For comparison a well-resolved HeI photoelectron spectrum (HeI-PES) has also been measured and analysed in detail. The TPES has been measured between 9.5 eV and 35 eV photon energy. Numerous vibrational structures, reported for the first time, observed in the ground state and the six excited states of the cation are analysed. Quantum chemical calculations have been performed and provide strong support to the assignments. State-selected CIS spectra highlighted the major importance of autoionization for the production of almost all ionized states of C{sub 2}H{sub 3}F observed in this work.

  3. Photoelectron spectroscopy in a wide hν region from 6 eV to 8 keV with full momentum and spin resolution

    Energy Technology Data Exchange (ETDEWEB)

    Suga, Shigemasa, E-mail: ssmsuga@gmail.com [Institute of Scientific and Industrial Research, Osaka University, Osaka (Japan); Max-Planck-Institute für Mikrostrukturphysik, Weinberg 2, 06120 Halle (Germany); Tusche, Christian [Max-Planck-Institute für Mikrostrukturphysik, Weinberg 2, 06120 Halle (Germany)

    2015-04-15

    Highlights: • Full two-dimensional angle resolved photoelectron spectroscopy (2D-ARPES). • Spin-resolved ARPES (SP-ARPES) with very high spin detection efficiency. • Aberration corrected double hemispherical deflection analyzers (HDAs). • Momentum microscopy (M.M.) with high energy and momentum resolutions. • Spin resolved momentum microscopy with capability of micro-nano region detection. - Abstract: High resolution photoelectron spectroscopy is recognized to be a very powerful approach to study surface and bulk electronic structures of various solids by employing different photon energies (hν). In particular, angle resolved photoelectron spectroscopy (ARPES) has progressed dramatically in the last few decades providing useful information on Fermi surface (FS) topology and band dispersions. The information of the electron spin is often decisive to fully understand the electronic properties of many material classes. However, spin-resolved studies by photoelectron spectroscopy were strongly hindered by the low detection efficiency of spin detectors. In the case of surface electronic structures, possible surface degradation with time is a serious problem to discuss intrinsic electronic effects. Therefore rather fast and high efficiency detection is required in the case of surface sensitive spin-resolved ARPES. Two-dimensional (2D) detection is nowadays widely employed in ARPES. In the use of a conventional hemispherical deflection analyzer (HDA), one direction on the 2D detector corresponds to the binding energy E{sub B} and the other direction to the emission angle. The novel concept of momentum microscopy, however, directly provides 2D (k{sub x},k{sub y}) maps of the photoemission intensities. The reciprocal space image directly represents the cross section through the valence band structure of the sample at a selected energy. By scanning E{sub B}, very high resolution three-dimensional E{sub B}(k{sub x},k{sub y}) maps of the band-dispersion can be

  4. Sodium chloride methanol solution spin-coating process for bulk-heterojunction polymer solar cells

    Science.gov (United States)

    Liu, Tong-Fang; Hu, Yu-Feng; Deng, Zhen-Bo; Li, Xiong; Zhu, Li-Jie; Wang, Yue; Lv, Long-Feng; Wang, Tie-Ning; Lou, Zhi-Dong; Hou, Yan-Bing; Teng, Feng

    2016-08-01

    The sodium chloride methanol solution process is conducted on the conventional poly(3-hexylthiophene) (P3HT)/[6,6]-phenyl-C61-butyric acid methyl ester (PC61BM) polymer bulk heterojunction solar cells. The device exhibits a power conversion efficiency of up to 3.36%, 18% higher than that of the device without the solution process. The measurements of the active layer by x-ray photoelectron spectroscopy (XPS), atomic force microscopy (AFM), and ultraviolet photoelectron spectroscopy (UPS) indicate a slight phase separation in the vertical direction and a sodium chloride distributed island-like interface between the active layer and the cathode. The capacitance-voltage (C-V) and impedance spectroscopy measurements prove that the sodium chloride methanol process can reduce the electron injection barrier and improve the interfacial contact of polymer solar cells. Therefore, this one-step solution process not only optimizes the phase separation in the active layers but also forms a cathode buffer layer, which can enhance the generation, transport, and collection of photogenerated charge carriers in the device simultaneously. This work indicates that the inexpensive and non-toxic sodium chloride methanol solution process is an efficient one-step method for the low cost manufacturing of polymer solar cells. Project supported by the Fundamental Research Funds for the Central Universities, China (Grant No. 2014JBZ009) and the National Natural Science Foundation of China (Grant Nos. 61274063, 61377028, 61475014, and 61475017).

  5. Photoelectron diffraction of Rh nanoparticles growth on Fe{sub 3}O{sub 4}/Pd(111) ultra thin film

    Energy Technology Data Exchange (ETDEWEB)

    Abreu, G.J.P.; Pancotti, A.; Lima, L.H.; Siervo, A. de; Landers, R. [Universidade Estadual de Campinas (UNICAMP), SP (Brazil)

    2012-07-01

    Full text: Heterogeneous catalysis is a highly complex process. Usually, a catalyst is formed by transition metal nanoparticles (for example, Pd, Pt, Rh, Ni, Au) supported by an oxide such as alumina, silica, titania among others [1-4]. The performance of the catalyst in terms of macroscopic chemical parameters such as the temperature for reaction activation, selectivity and efficiency can be strongly influenced by different characteristics of the catalyst at the atomic level, for instance, its electronic and atomic structure, particle size and shape, crystallographic structure [5-6] and support material effects[1]. Metal-oxide-based catalysts are used for many important synthesis reactions in the chemical industry, such as selective oxidation, dehydrogenation, isomerization and other chemical processes [7]. Rhodium nanoparticles have been used, for example, in the studies of propionaldehyde decomposition under ultra-high vacuum (UHV) conditions. The aim of this work is to prepare rhodium nanoparticles on magnetite (Fe{sub 3}O{sub 4}) (111) growth on Pd(111). The rhodium clusters and iron oxide ultra-thin films (thickness <10ML) were prepared in UHV conditions by Molecular Beam Epitaxy (MBE) and keeping the substrate at 450 deg C. The system was characterized by X-ray photoelectron spectroscopy (XPS), low-energy electron diffraction (LEED) and photoelectron diffraction (PED) performed at the SGM beam line at the Brazilian Synchrotron Light Source (LNLS). Our results shows the formation of small Rh an island with the same atomic structure of fcc Rh at bulk, and thickness lower then 5MLs. The islands cover approximately 15% of the iron surface. These findings were determined mainly with the PED experiments supported by a comprehensive simulation approach based on multiple scattering calculations. References: [1] J. Libuda, H.-J. Freund, Surf. Sci. Rep. 57, 157 (2005). [2] C. R. Henry, Surf. Sci. Rep. 31, 231 (1998). [3] N. Nilius, A. Corper, G. Bozdech, N. Ernst , H

  6. Prospects for Detecting a Cosmic Bulk Flow

    Science.gov (United States)

    Rose, Benjamin; Garnavich, Peter M.; Mathews, Grant James

    2015-01-01

    The ΛCDM model is based upon a homogeneous, isotropic space-time leading to uniform expansion with random peculiar velocities caused by local gravitation perturbations. The Cosmic Microwave Background (CMB) radiation evidences a significant dipole moment in the frame of the Local Group. This motion is usually explained with the Local Group's motion relative to the background Hubble expansion. An alternative explanation, however, is that the dipole moment is the result of horizon-scale curvature remaining from the birth of space-time, possibly a result of quantum entanglement with another universe. This would appear as a single velocity (a bulk flow) added to all points in space. These two explanations differ observationally on cosmic distance scales (z > 0.1). There have been many differing attempts to detect a bulk flow, many with no detectable bulk flow but some with a bulk flow velocity as large as 1000 km/s. Here we report on a technique based upon minimizing the scatter around the expected cosine distribution of the Hubble redshift residuals with respect to angular distance on the sky. That is, the algorithm searches for a directional dependence of Hubble residuals. We find results consistent with most other bulk flow detections at z Type Ia Supernovae to be ~0.01, whereas the current error (~0.2.) is more than an order of magnitude too large for the detection of bulk flow beyond z~0.05.

  7. Characterization of the polymer energy landscape in polymer:fullerene bulk heterojunctions with pure and mixed phases

    KAUST Repository

    Sweetnam, Sean

    2014-10-08

    Theoretical and experimental studies suggest that energetic offsets between the charge transport energy levels in different morphological phases of polymer:fullerene bulk heterojunctions may improve charge separation and reduce recombination in polymer solar cells (PSCs). In this work, we use cyclic voltammetry, UV-vis absorption, and ultraviolet photoelectron spectroscopy to characterize hole energy levels in the polymer phases of polymer:fullerene bulk heterojunctions. We observe an energetic offset of up to 150 meV between amorphous and crystalline polymer due to bandgap widening associated primarily with changes in polymer conjugation length. We also observe an energetic offset of up to 350 meV associated with polymer:fullerene intermolecular interactions. The first effect has been widely observed, but the second effect is not always considered despite being larger in magnitude for some systems. These energy level shifts may play a major role in PSC performance and must be thoroughly characterized for a complete understanding of PSC function.

  8. Surface sensitivity of four-probe STM resistivity measurements of bulk ZnO correlated to XPS

    Science.gov (United States)

    Lord, Alex M.; Evans, Jonathan E.; Barnett, Chris J.; Allen, Martin W.; Barron, Andrew R.; Wilks, Steve P.

    2017-09-01

    Multi-probe instruments based on scanning tunnelling microscopy (STM) are becoming increasingly common for their ability to perform nano- to atomic-scale investigations of nanostructures, surfaces and in situ reactions. A common configuration is the four-probe STM often coupled with in situ scanning electron microscopy (SEM) that allows precise positioning of the probes onto surfaces and nanostructures enabling electrical and scanning experiments to be performed on highly localised regions of the sample. In this paper, we assess the sensitivity of four-probe STM for in-line resistivity measurements of the bulk ZnO surface. The measurements allow comparisons to established models that are used to relate light plasma treatments (O and H) of the surfaces to the resistivity measurements. The results are correlated to x-ray photoelectron spectroscopy (XPS) and show that four-probe STM can detect changes in surface and bulk conduction mechanisms that are beyond conventional monochromatic XPS.

  9. Preparation of carbon-nitride bulk samples in the presence of seed carbon-nitride films

    Energy Technology Data Exchange (ETDEWEB)

    Kim, J. I. [Korea University of Technology and Education, Chonan (Korea, Republic of); Zorov, N. B. [Moscow State University, Moscow (Russian Federation)

    2004-05-15

    A procedure was developed for preparing bulk carbon-nitride crystals from polymeric alpha-C{sub 3}N{sub 4.2} at high pressure and high temperature in the presence of seeds of crystalline carbon-nitride films prepared by using a high-voltage discharge plasma combined with pulsed laser ablation of a graphite target. The samples were evaluated by using X-ray photoelectron spectroscopy (XPS), infrared (IR) spectroscopy, Auger electron spectroscopy (AES), secondary-ion mass spectrometry (SIMS), scanning electron microscopy (SEM) and X-ray diffraction (XRD). Notably, XPS studies of the film composition before and after thermobaric treatments demonstrated that the nitrogen composition in the alpha-C{sub 3}N{sub 4.2} material, which initially contained more than 58 % nitrogen, decreased during the annealing process and reached a common, stable composition of approx 45 %. The thermobaric experiments were performed at 10 - 77 kbar and 350 - 1200 .deg. C.

  10. Photoelectron emission from plasmonic nanoparticles: Comparison between surface and volume photoelectric effects

    CERN Document Server

    Uskov, Alexander V; Ikhsanov, Renat Sh; Babicheva, Viktoriia E; Zhukovsky, Sergei V; Lavrinenko, Andrey V; OReilly, Eoin P; Xu, Hongxing

    2013-01-01

    We study emission of photoelectrons from plasmonic nanoparticles into surrounding matrix. We consider two mechanisms of the photoelectric effect from nanoparticles - surface and volume ones, and use models of these two effects which allow us to obtain analytical results for the photoelectron emission rates from nanoparticle. Calculations have been done for the step potential at surface of spherical nanoparticle, and the simple model for the hot electron cooling have been used. We highlight the effect of the discontinuity of the dielectric permittivity at the nanoparticle boundary in the surface mechanism, which leads to substantial (by 5 times) increase of photoelectron emission rate from nanoparticle compared to the case when such discontinuity is absent. For plasmonic nanoparticle, a comparison of two mechanisms of the photoeffect was done for the first time and showed that surface photoeffect, at least, does not concede the volume one, which agrees with results for the flat metal surface first formulated b...

  11. Experimental evidence for extreme surface sensitivity in Auger-Photoelectron Coincidence Spectroscopy (APECS) from solids

    Energy Technology Data Exchange (ETDEWEB)

    Liscio, A.; Gotter, R.; Ruocco, A.; Iacobucci, S.; Danese, A.G.; Bartynski, R.A.; Stefani, G

    2004-07-01

    Core hole creation and subsequent Auger decay processes are studied with unprecedented discrimination by Auger-Photoelectron Coincidence Spectroscopy (APECS). Early works in this field have already pointed out the intrinsic surface sensitivity of these experiments. However, it was not until recently that a model calculation was developed to quantitatively evaluate it. Here we present the first attempt to experimentally establish an effective target thickness for such experiments. The angular distribution of 3p{sub 3/2} photoelectron with kinetic energy of 160 eV is measured in coincidence with the M{sub 3}VV Auger electron with kinetic energy of 55 eV on a Cu (1 1 1) surface. Coincidence and non-coincidence photoelectron angular distributions display differences that, to large extent, are explained by confining the source of the coincident signal within the first two layers of Cu target, thus establishing an experimental upper limit for the effective target thickness of the APECS experiment.

  12. Photoelectron and photodissociation studies of free atoms and molecules, using synchrotron radiation

    Energy Technology Data Exchange (ETDEWEB)

    Medhurst, L.J.

    1991-11-01

    High resolution synchrotron radiation and Zero-Kinetic-Energy Photoelectron spectroscopy were used to study two-electron transitions in atomic systems at their ionization thresholds. Using this same technique the core-ionized mainline and satellite states of N{sub 2} and CO were studied with vibrational resolution. Vibrationally resolved synchrotron radiation was used to study the dissociation of N{sub 2}, C{sub 2}H{sub 4}, and CH{sub 3}Cl near the N 1s and C 1s thresholds. The photoelectron satellites of the argon 3s, krypton 4s and xenon 4d subshells were studied with zero kinetic energy photoelectron spectroscopy at their ionization thresholds. In all of these cases, satellites with lower binding energies are enhanced at their thresholds while those closer to the double ionization threshold are suppressed relative to their intensities at high incident light energies.

  13. Unraveling nonadiabatic ionization and Coulomb potential effects in strong-field photoelectron holography

    CERN Document Server

    Song, Xiaohong; Sheng, Zhihao; Liu, Peng; Chen, Zhangjin; Yang, Weifeng; Hu, Shilin; Lin, C D; Chen, Jing

    2016-01-01

    Strong field photoelectron holography has been proposed as a means for interrogating the spatial and temporal information of electrons and ions in a dynamic system. After ionization, part of the electron wave packet may directly go to the detector (the reference wave), while another part may be driven back to the ion where it scatters off (the signal wave). The interference hologram of the two waves may be used to retrieve the target information. However, unlike conventional optical holography, the propagations of electron wave packets are affected by the Coulomb potential as well as by the laser field. In addition, electrons are emitted over the whole laser pulse duration, thus multiple interferences may occur. In this work, we used a generalized quantum-trajectory Monte Carlo method to investigate the effect of Coulomb potential and the nonadiabatic subcycle ionization on the photoelectron hologram. We showed that photoelectron hologram can be well described only when the nonadiabatic effect in ionization i...

  14. Spatiotemporal steering of photoelectron emission in multiphoton above-threshold ionization

    CERN Document Server

    Gong, Xiaochun; Liu, Mingming; Song, Qiying; Lin, Kang; Ji, Qinying; Zhang, Wenbin; Ma, Junyang; Lu, Peifen; Liu, Yunquan; He, Feng; Zeng, Heping; Yang, Weifeng; Wu, Jian

    2016-01-01

    We experimentally demonstrate spatiotemporal steering of photoelectron emission in multiphoton above-threshold single ionization of atoms exposed to a phase-controlled orthogonally polarized two-color (OTC) laser pulse. Spatial and energy resolved photoelectron angular distributions are measured as a function of the laser phase, allowing us to look into the fine structures and emission dynamics. The slow and fast photoelectrons, distinguished by the energy larger or smaller than 2Up with Up being the ponderomotive energy of a free electron in the laser field, have distinct spatiotemporal dependences of the laser waveform. The phase-of-phase of the slow electron oscillates as functions of both the energy and emission direction, however, the fast electron present rather flat phase structure which merely depends on its emission direction. Three-dimensional generalized quantum trajectory Monte Carlo simulations are performed to explore the sub-cycle dynamics of the electron emission in the phase-controlled OTC pu...

  15. Photoelectron angular distributions from strong-field ionization of oriented molecules

    CERN Document Server

    Holmegaard, Lotte; Kalhøj, Line; Kragh, Sofie Louise; Stapelfeldt, Henrik; Filsinger, Frank; Küpper, Jochen; Meijer, Gerard; Dimitrovski, Darko; Abu-samha, Mahmoud; Martiny, Christian P J; Madsen, Lars Bojer

    2010-01-01

    The combination of photoelectron spectroscopy and ultrafast light sources is on track to set new standards for detailed interrogation of dynamics and reactivity of molecules. A crucial prerequisite for further progress is the ability to not only detect the electron kinetic energy, as done in traditional photoelectron spectroscopy, but also the photoelectron angular distributions (PADs) in the molecular frame. Here carbonylsulfide (OCS) and benzonitrile molecules, fixed in space by combined laser and electrostatic fields, are ionized with intense, circularly polarized, 30 femtosecond laser pulses. For 1-dimensionally oriented OCS the molecular frame PADs exhibit pronounced anisotropies, perpendicular to the fixed permanent dipole moment, that are absent in PADs from randomly oriented molecules. For 3-dimensionally oriented benzonitrile additional striking structures appear due to suppression of electron emission in nodal planes of the fixed electronic orbitals. Our theoretical analysis, relying on tunneling io...

  16. Molecular photoionisation using synchrotron radiation. Photoelectron photoion coincidence and circular dichroism

    CERN Document Server

    Garcia-Macias, G A

    2002-01-01

    The first ionisation potential of the CF sub 3 radical has been determined in this work from the appearance potential of the CF sub 3 sup + fragment, formed in the photofragmentation of CF sub 3 Br. In obtaining this value special care has been taken in removing the contributions from second order light and internal energy of the fragmenting parent ion. The resulting ionisation potential was found to be in very good agreement with a number of recent theoretical calculations. The valence photoelectron spectra of three monoterpenes such as limonene, carvone and camphor have been recorded along with their mass spectra taken in coincidence with energy selected photoelectrons, providing information about state selected parent ion fragmentation channels. A new photoelectron spectrometer based on the Alien box design has been studied by ray-tracing simulations. It will include a two dimensional position sensitive detector system consisting in two micro channel plates in a chevron stack and a delay-line anode to enco...

  17. Characterization of EUV irradiation effects on polystyrene derivatives studied by x-ray photoelectron spectroscopy (XPS) and ultraviolet photoelectron spectroscopy (UPS)

    Science.gov (United States)

    Yamamoto, Hiroki; Kozawa, Takahiro; Tagawa, Seiichi

    2011-04-01

    The trade-off among resolution, sensitivity, and line edge roughness (LER) is the most serious problem in actualization of extreme ultraviolet (EUV). As feature sizes are reduced, it becomes very strict to simultaneously meet these requirements. Also, reaction in resist materials induced by EUV photon is more complicate. In chemically amplified EUV resists, not acid generator but polymers mainly adsorbed EUV photons. The secondary electrons are generated from polymer upon exposure to ionizing radiation such as EUV radiation and electron beam. Therefore, the increase in secondary electrons generated by EUV photons adsorbed in resist film is very important factor in the resist design. Therefore, it is essential to know the ionization mechanisms of backbone polymers and understand the reaction mechanism in details in order to accomplish high sensitivity and ultra-fine pattern in EUV lithography. We investigated the photoelectron spectra of typical backbone polymers for chemically amplified EUV resists using ultraviolet photoelectron spectroscopy (UPS). Also, the structure degradations in polystyrene (PS) derivatives thin films induced by EUV radiation were analyzed by X-ray photoelectron spectroscopy (XPS) and UPS.

  18. Effective attenuation lengths for photoelectrons emitted by high-energy laboratory X-ray sources

    Energy Technology Data Exchange (ETDEWEB)

    Jablonski, A., E-mail: ajablonski@ichf.edu.pl [Institute of Physical Chemistry, Polish Academy of Sciences, ul. Kasprzaka 44/52, 01-224 Warsaw (Poland); Powell, C.J. [Materials Measurement Science Division, National Institute of Standards and Technology, Gaithersburg, MA (United States)

    2015-02-15

    Highlights: • Effective attenuation lengths (EALs) for high kinetic energy photoelectrons. • Weak influence of the non-dipole approximation on the EAL. • New analytical algorithm for calculating the effective attenuation length. - Abstract: We report calculations of effective attenuation lengths (EALs) for Si 2s{sub 1/2}, Cu 2p{sub 3/2}, Ag 3d{sub 5/2}, and Au 4f{sub 7/2} photoelectrons excited by Mg Kα, Al Kα, Zr Lα, and Ti Kα X-rays, where the photoelectron energies ranged from 321 eV to 4.426 keV. These EALs, appropriate for determining overlayer-film thicknesses, were calculated from the transport-approximation formalism and from Monte Carlo simulations using photoionization cross sections from the dipole and non-dipole approximations. Satisfactory consistency was found between EALs determined from the TA formalism and from MC simulations, while differences between EALs for Au 4f{sub 7/2} photoelectrons from the dipole and non-dipole approximations were between 1% (for Mg and Al Kα X-rays) and 2.5% (for Ti Kα X-rays) for photoelectron emission angles less than 50°. As in past work for electron energies less than 2 keV, we found a simple linear relation between the ratio of the average EAL (for emission angles less than 50°) to the inelastic mean free path (IMFP) and the single-scattering albedo, a function of the IMFP and the transport mean free path. The root-mean-square difference between our average EALs and those from the linear expression was 1.44%. This expression should be useful in determinations of film thicknesses by XPS with unpolarized X-rays for photoelectron energies up to about 5 keV.

  19. Photoelectron Emission from Metal Surfaces Induced by Radiation Emitted by a 14 GHz Electron Cyclotron Resonance Ion Source

    CERN Document Server

    Laulainen, Janne; Koivisto, Hannu; Komppula, Jani; Kronholm, Risto; Tarvainen, Olli

    2015-01-01

    Photoelectron emission measurements have been performed using a room-temperature 14 GHz ECR ion source. It is shown that the photoelectron emission from Al, Cu, and stainless steel (SAE 304) surfaces, which are common plasma chamber materials, is predominantly caused by radiation emitted from plasma with energies between 8 eV and 1 keV. Characteristic X-ray emission and bremsstrahlung from plasma have a negligible contribution to the photoelectron emission. It is estimated from the measured data that the maximum conceivable photoelectron flux from plasma chamber walls is on the order of 10 % of the estimated total electron losses from the plasma.

  20. Photoelectron emission from metal surfaces induced by radiation emitted by a 14 GHz electron cyclotron resonance ion source

    Science.gov (United States)

    Laulainen, Janne; Kalvas, Taneli; Koivisto, Hannu; Komppula, Jani; Kronholm, Risto; Tarvainen, Olli

    2016-02-01

    Photoelectron emission measurements have been performed using a room-temperature 14 GHz ECR ion source. It is shown that the photoelectron emission from Al, Cu, and stainless steel (SAE 304) surfaces, which are common plasma chamber materials, is predominantly caused by radiation emitted from plasma with energies between 8 eV and 1 keV. Characteristic X-ray emission and bremsstrahlung from plasma have a negligible contribution to the photoelectron emission. It is estimated from the measured data that the maximum conceivable photoelectron flux from plasma chamber walls is on the order of 10% of the estimated total electron losses from the plasma.

  1. Photoelectron emission from metal surfaces induced by radiation emitted by a 14 GHz electron cyclotron resonance ion source

    Energy Technology Data Exchange (ETDEWEB)

    Laulainen, Janne, E-mail: janne.p.laulainen@student.jyu.fi; Kalvas, Taneli; Koivisto, Hannu; Komppula, Jani; Kronholm, Risto; Tarvainen, Olli [Department of Physics, University of Jyvaskyla, P.O. Box 35, FI-40014 Jyvaskyla (Finland)

    2016-02-15

    Photoelectron emission measurements have been performed using a room-temperature 14 GHz ECR ion source. It is shown that the photoelectron emission from Al, Cu, and stainless steel (SAE 304) surfaces, which are common plasma chamber materials, is predominantly caused by radiation emitted from plasma with energies between 8 eV and 1 keV. Characteristic X-ray emission and bremsstrahlung from plasma have a negligible contribution to the photoelectron emission. It is estimated from the measured data that the maximum conceivable photoelectron flux from plasma chamber walls is on the order of 10% of the estimated total electron losses from the plasma.

  2. Hard x-ray photoelectron spectroscopy of chalcopyrite solar cell components

    Science.gov (United States)

    Gloskovskii, A.; Jenkins, C. A.; Ouardi, S.; Balke, B.; Fecher, G. H.; Dai, X.-F.; Gruhn, T.; Johnson, B.; Lauermann, I.; Caballero, R.; Kaufmann, C. A.; Felser, C.

    2012-02-01

    Hard x-ray photoelectron spectroscopy is used to examine the partial density of states of Cu(In,Ga)Se2 (CIGSe), a semiconducting component of solar cells. The investigated, thin Cu(In,Ga)Se2 films were produced by multi-stage co-evaporation. Details of the measured core level and valence band spectra are compared to the calculated density of states. The semiconducting type electronic structure of Cu(In,Ga)Se2 is clearly resolved in the hard x-ray photoelectron spectra.

  3. Single photo-electron trapping, storage, and detection in a one-electron quantum dot

    OpenAIRE

    Rao, Deepak Sethu; Szkopek, Thomas; Robinson, Hans Daniel; Yablonovitch, Eli; Jiang, Hong-Wen

    2004-01-01

    There has been considerable progress in electro-statically emptying, and re-filling, quantum dots with individual electrons. Typically the quantum dot is defined by electrostatic gates on a GaAs/AlGaAs modulation doped heterostructure. We report the filling of such a quantum dot by a single photo-electron, originating from an individual photon. The electrostatic dot can be emptied and reset in a controlled fashion before the arrival of each photon. The trapped photo-electron is detected by a ...

  4. Monitoring Nonadiabatic Electron-Nuclear Dynamics in Molecules by Attosecond Streaking of Photoelectrons

    CERN Document Server

    Kowalewski, Markus; Rouxel, Jérémy R; Mukamel, Shaul

    2016-01-01

    Streaking of photoelectrons has long been used for the temporal characterization of attosecond extreme ultraviolet pulses. When the time-resolved photoelectrons originate from a coherent superposition of electronic states, they carry an additional phase information, which can be retrieved by the streaking technique. In this contribution we extend the streaking formalism to include coupled electron and nuclear dynamics in molecules as well as initial coherences and demonstrate how it offers a novel tool to monitor non-adiabatic dynamics as it occurs in the vicinity of conical intersections and avoided crossings. Streaking can enhance the time resolution and provide direct signatures of electronic coherences, which affect many primary photochemical and biological events.

  5. Longitudinal photoelectron momentum shifts induced by absorbing a single XUV photon in diatomic molecules

    CERN Document Server

    Lao, Di; He, Feng

    2015-01-01

    The photoelectron momentum shifts along the laser propagation are investigated by the time-dependent perturbation theory for diatomic molecules, such as H$_2^+$, N$_2$ and O$_2$. Such longitudinal momentum shifts characterize the photon momentum sharing in atoms and molecules, and oscillate with respect to photon energies, presenting the double-slit interference structure. The atomic and molecular contributions are disentangled analytically, which gives intuitive picture how the double-slit interference structure is formed. Calculation results show the longitudinal photoelectron momentum distribution depends on the internuclear distance, molecular orientation and photon energy. The current laser technology is ready to approve these theoretical predictions.

  6. A laser-generated plasma as a source of VUV continuum radiation for photoelectronic spectroscopy

    OpenAIRE

    Heckenkamp, Ch.; Heinzmann, Ulrich; Schönhense, G.; BURGESS.D.D; Thorne, A. P.; Wheaton, J. E. G.

    1981-01-01

    The feasibility of using laser-generated plasmas as VUV continuum sources for photoelectron spectroscopy has been demonstrated by measuring the spectral intensity distribution of the VUV continuum in the wavelength region from 79 to 43 nm by energy analysis of the photoelectrons ejected from argon atoms. The maximum photon flux obtained after reflection at a gold-coated spherical mirror was of the order of 10(11) photons nm(-1) per pulse at 50 nm for a laser energy of 830 mJ. The results show...

  7. Ultrafast dynamics of o-fluorophenol studied with femtosecond time-resolved photoelectron and photoion spectroscopy

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    The ultrafast dynamics of o-fluorophenol via the excited states has been studied by femtosecond time-resolved photoelectron imaging. The photoion and photoelectron spectra taken with a time delay between 267 nm pump laser and 800 nm probe laser provide a longer-lived S1 electronic state of about ns timescale. In comparison,the spectra obtained by exciting the S2 state with femtosecond laser pulses at 400 nm and ionizing with pulses at 800 nm suggest that the S2 state has an ultrashort lifetime about 102 fs and reflects the internal conversion dynamics of the S2 state to the S1 state.

  8. Use of photoelectron laser phase determination method for attosecond measurements with quantum-mechanical calculations

    Institute of Scientific and Technical Information of China (English)

    Ge Yu-Cheng

    2008-01-01

    This paper calculates quantum-mechanically the photoelectron energy spectra excited by attosecond x-rays in the presence of a few-cycle laser. A photoelectron laser phase determination method is used for precise measurements of the pulse natural properties of x-ray intensity and the instantaneous frequency profiles. As a direct procedure without any previous pulse profile assumptions and time-resolved measurements as well as data fitting analysis, this method can be used to improve the time resolutions of attosecond timing and measurements with metrological precision. The measurement range is half of a laser optical cycle.

  9. 75 FR 64585 - Bulk Solid Hazardous Materials: Harmonization With the International Maritime Solid Bulk Cargoes...

    Science.gov (United States)

    2010-10-19

    ... nonsubstantive changes, however, to correct grammar, internal paragraph references, and a temperature conversion... means the English version of the ``International Maritime Solid Bulk Cargoes Code'' published by...

  10. Development of superconductor bulk for superconductor bearing

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Chan Joong; Jun, Byung Hyuk; Park, Soon Dong (and others)

    2008-08-15

    Current carrying capacity is one of the most important issues in the consideration of superconductor bulk materials for engineering applications. There are numerous applications of Y-Ba-Cu-O (YBCO) bulk superconductors e.g. magnetic levitation train, flywheel energy storage system, levitation transportation, lunar telescope, centrifugal device, magnetic shielding materials, bulk magnets etc. Accordingly, to obtain YBCO materials in the form of large, single crystals without weak-link problem is necessary. A top seeded melt growth (TSMG) process was used to fabricate single crystal YBCO bulk superconductors. The seeded and infiltration growth (IG) technique was also very promising method for the synthesis of large, single-grain YBCO bulk superconductors with good superconducting properties. 5 wt.% Ag doped Y211 green compacts were sintered at 900 .deg. C {approx} 1200 .deg.C and then a single crystal YBCO was fabricated by an infiltration method. A refinement and uniform distribution of the Y211 particles in the Y123 matrix were achieved by sintering the Ag-doped samples. This enhancement of the critical current density was ascribable to a fine dispersion of the Y211 particles, a low porosity and the presence of Ag particles. In addition, we have designed and manufactured large YBCO single domain with levitation force of 10-13 kg/cm{sup 2} using TSMG processing technique.

  11. Into the Bulk: A Covariant Approach

    CERN Document Server

    Engelhardt, Netta

    2016-01-01

    I propose a general, covariant way of defining when one region is "deeper in the bulk" than another. This definition is formulated outside of an event horizon (or in the absence thereof) in generic geometries; it may be applied to both points and surfaces, and may be used to compare the depth of bulk points or surfaces relative to a particular boundary subregion or relative to the entire boundary. Using the recently proposed "lightcone cut" formalism, the comparative depth between two bulk points can be determined from the singularity structure of Lorentzian correlators in the dual field theory. I prove that, by this definition, causal wedges of progressively larger regions probe monotonically deeper in the bulk. The definition furthermore matches expectations in pure AdS and in static AdS black holes with isotropic spatial slices, where a well-defined holographic coordinate exists. In terms of holographic RG flow, this new definition of bulk depth makes contact with coarse-graining over both large distances ...

  12. Photoelectron spectroscopy investigations of pyrrolo[1,2-a][1,10]phenanthroline derivatives

    Energy Technology Data Exchange (ETDEWEB)

    Prelipceanu, M.; Prelipceanu, O.S. [University of Applied Sciences Wildau, Department of Engineering, Institute of Photonics and Physics Technologies, Friedrich-Engels Street 63, 15745 Wildau (Germany); Leontie, L. [Faculty of Physics, ' Al.I. Cuza' University, 11 Carol I Boulevard, 700506 Iasi (Romania)], E-mail: lleontie@uaic.ro; Danac, R. [Faculty of Chemistry, ' Al.I. Cuza' University, 11 Carol I Boulevard, 700506 Iasi (Romania)

    2007-08-20

    Thin films of new pyrrolo[1,2-a][1,10]phenanthroline derivatives have been investigated by ultraviolet photoelectron spectroscopy, with a view of future applications in optoelectronic devices. The electronic band structure of investigated compounds (for electron energies {<=}25 eV) is to a great extent determined by substituent (R = NO{sub 2}, Cl) induced transformations of molecular orbitals.

  13. State-to-State Spectroscopy and Dynamics of Ions and Neutrals by Photoionization and Photoelectron Methods

    Science.gov (United States)

    Ng, Cheuk-Yiu

    2014-04-01

    Recent advances in high-resolution photoionization, photoelectron, and photodissociation studies based on single-photon vacuum ultraviolet (VUV) and two-color infrared (IR)-VUV, visible (Vis)-ultraviolet (UV), and VUV-VUV laser excitations are illustrated with selected examples. VUV laser photoionization coupled with velocity-map-imaging threshold photoelectron (VMI-TPE) detection can achieve comparable energy resolution but has higher-detection sensitivities than those observed in VUV laser pulsed field ionization photoelectron (PFI-PE) measurements. For molecules with known intermediate states, IR-VUV and Vis-UV excitation schemes are highly sensitive for rovibronically selected and resolved PFI-PE studies. The successful applications of the VUV-PFI-PE, VUV-VMI-TPE, and Vis-UV-PFI-PE methods to state-resolved and state-to-state photoelectron studies of transient radicals and transitional metal-containing molecules are highlighted. The most recently established VUV-VUV pump-probe time-slice VMI photoion method is shown to be promising for state-to-state photodissociation studies of small molecules relevant to planetary atmospheres and for the fundamental understanding of photodissociation dynamics.

  14. State-To Spectroscopy and Dynamics of Ions and Neutrals by Photoionization and Photoelectron Methods

    Science.gov (United States)

    Ng, Cheuk-Yiu

    2014-06-01

    Recent advances in high-resolution photoionization, photoelectron, and photodissociation studies based on single-photon vacuum ultraviolet (VUV) and two-color infrared (IR)-VUV, visible (VIS)-ultraviolet (UV), and VUV-VUV laser excitations are illustrated with selected examples. We show that VUV laser photoionization coupled with velocity-map-imaging (VMI)-threshold photoelectron (VMI-TPE) detection can achieve comparable energy resolutions, but higher detection sensitivities than those observed in VUV laser pulsed field ionization-photoelectron (PFI-PE) measurements. For molecules with known intermediate states, IR-VUV and VIS-UV excitation schemes are highly sensitive for rovibronically selected and resolved PFI-PE studies. The successful applications of the VUV-PFI-PE, VUV-VMI-TPE and VIS-UV-PFI-PE methods to state-resolved and state-to-state photoelectron studies of transient radicals and transitional metal-containing molecules are highlighted. The most recently established VUV-VUV pump-probe time-slice VMI-photoion method is shown to be promising for state-to-state photodissociation studies of small molecules relevant to planetary atmospheres and for the fundamental understanding of photodissociation dynamics.

  15. Angle resolved photoelectron distribution of the 1{pi} resonance of CO/Pt(111)

    Energy Technology Data Exchange (ETDEWEB)

    Haarlammert, Thorben; Wegner, Sebastian; Tsilimis, Grigorius; Zacharias, Helmut [Physikalisches Institut, Westfaelische Wilhelms Universitaet, Muenster (Germany); Golovin, Alexander [Institute of Physics, St. Petersburg State University (Russian Federation)

    2009-07-01

    The CO 1{pi} level of a c(4 x 2)-2CO/Pt(111) reconstruction shows a significant resonance when varying the photon energy between h{nu}=23 eV and h{nu}=48 e V. This resonance has not been observed in gas phase measurements or on the Pt(1 10) surface. To investigate the photoelectron distribution of the 1{pi} level high harmonic radiaton has been used. By conversion in rare gases like argon, neon, or helium photon energies of up to 100 eV have been generated at repetition r ates of up to 10 kHz. The single harmonics have been separated and focused by a toroidal grating and directed to the sample surface. A time-of-flight detector with multiple anodes registers the kinetic energies of the emitted photoelectrons and enables the simultaneous detection of multiple emission angles. The angular distributions of photoelectrons emitted from the CO 1{pi} level have been measured for a variety of initial photon energies. Further the angular distributions of the CO 1{pi} level photoelectrons emitted from a CO-Pt{sub 7} cluster have been calculated using the MSX{alpha}-Method which shows good agreement with the ex perimental data.

  16. X-ray Photoelectron Spectroscopy Investigation on Electrochemical Degradation of Proton Exchange Membrane Fuel Cell Electrodes

    DEFF Research Database (Denmark)

    Andersen, Shuang Ma; Dhiman, Rajnish; Skou, Eivind Morten

    2015-01-01

    X-ray photoelectron spectroscopy studies were systematically carried out on the electrodes before and after the electrochemical stress tests in an aqueous electrolyte at 20 °C and 70 °C. The electrodes have different ionomer structures (no ionomer, only ionomer, physically mixed ionomer and hot p...

  17. Pseudo-bimolecular [2+2] cycloaddition studied by time-resolved photoelectron spectroscopy

    DEFF Research Database (Denmark)

    Brogaard, Rasmus Y; Boguslavskiy, Andrey E; Schalk, Oliver

    2011-01-01

    The first study of pseudo-bimolecular cycloaddition reaction dynamics in the gas phase is presented. We used femtosecond time-resolved photoelectron spectroscopy (TRPES) to study the [2+2] photocycloaddition in the model system pseudo-gem-divinyl[2.2]paracyclophane. From X-ray crystal diffraction...

  18. Soft-x-ray transmission photoelectron spectromicroscopy with the MEPHISTO system

    Science.gov (United States)

    De Stasio, Gelsomina; Gilbert, B.; Perfetti, Luca; Fauchoux, O.; Valiquer, A.; Nelson, T.; Capozi, M.; Baudat, P. A.; Cerrina, F.; Chen, Z.; Perfetti, P.; Tonner, B. P.; Margaritondo, G.

    1998-09-01

    We complemented with data taken in transmission mode the recently described tests of the novel spectromicroscope MEPHISTO (Microscope à Emission de Photoélectrons par Illumination Synchrotronique de type Onduleur). Transmitted x rays were converted by a photocathode into photoelectrons, which were subsequently electron-optically processed by the spectromicroscope producing submicron-resolution images. Test images demonstrated excellent contrast.

  19. Crystal structures and photoelectron spectra of some trimethanoanthracenes, tetramethanonaphthacenes, and pentamethanopentacenes. Experimental evidence for laticyclic hyperconjugation

    DEFF Research Database (Denmark)

    Paddon-Row, Michael N.; Englehardt, Lutz M.; Skelton, Brian W.

    1987-01-01

    Photoelectron (p.e.) spectra of the series of dienes (), (), ()-(), and crystal structures for the dodecachlorodienes()-() are reported. The spectra revealed large [small pi]-splitting energies of 0.32 and 0.52 eV for () and () respectively. The value of () is attributed to the presence of orbita...

  20. State-to-state spectroscopy and dynamics of ions and neutrals by photoionization and photoelectron methods.

    Science.gov (United States)

    Ng, Cheuk-Yiu

    2014-01-01

    Recent advances in high-resolution photoionization, photoelectron, and photodissociation studies based on single-photon vacuum ultraviolet (VUV) and two-color infrared (IR)-VUV, visible (Vis)-ultraviolet (UV), and VUV-VUV laser excitations are illustrated with selected examples. VUV laser photoionization coupled with velocity-map-imaging threshold photoelectron (VMI-TPE) detection can achieve comparable energy resolution but has higher-detection sensitivities than those observed in VUV laser pulsed field ionization photoelectron (PFI-PE) measurements. For molecules with known intermediate states, IR-VUV and Vis-UV excitation schemes are highly sensitive for rovibronically selected and resolved PFI-PE studies. The successful applications of the VUV-PFI-PE, VUV-VMI-TPE, and Vis-UV-PFI-PE methods to state-resolved and state-to-state photoelectron studies of transient radicals and transitional metal-containing molecules are highlighted. The most recently established VUV-VUV pump-probe time-slice VMI photoion method is shown to be promising for state-to-state photodissociation studies of small molecules relevant to planetary atmospheres and for the fundamental understanding of photodissociation dynamics.

  1. Visible and ultraviolet photoelectron spectroscopy of fullerenes using femtosecond laser pulses

    OpenAIRE

    Campbell E. E. B.; Henderson G. G.; Johansson J. O.

    2013-01-01

    Photoelectron spectra are presented for C60 excited with fs pulses of wavelengths 532 and 267 nm. The spectra indicate a quick redistribution of the excitation energy. Excitation of SAMO states is observed with 532 nm excitation, but due to the relatively large photon energy of the 267 nm pulses, these orbitals are not populated for this wavelength.

  2. A coupled bunch instability due to beam-photoelectron interactions in KEKB-LER

    Energy Technology Data Exchange (ETDEWEB)

    Ohmi, Kazuhito [National Lab. for High Energy Physics, Tsukuba, Ibaraki (Japan)

    1996-08-01

    LER of KEKB is designed to storage the positron beam of 2.6 A with multibunch operation. Nb = 3.3 x 10{sup 10} positrons are filled in a bunch and the bunch passes every 2ns through a beam chamber. The photoelectron instability may be serious for KEKB-LER. We consider a motion of photoelectrons produced by a bunch with a computer simulation technic. A cylindrical chamber with a diameter of 10 cm was used as a model chamber. About 15 times of the photoelectrons were produced by a bunch. The wake force was calculated for the loading bunches with displacements of 0.5 mm and 1 mm. The wake characteristics seems to be caused by the trapped electrons kicked by the loading bunch. The wake was saturated with the loading displacement of 0.5 mm. We obtained a growth rate by the wake force. It is very high rate, 2500s{sup -1} which exceeds damping rates of various mechanism, radiation, head-tail and feedback. Perhaps it is essential to remove the photoelectrons around the positron beam explicitly. If we apply magnetic field fo about 20 G, the growth rate will be reduced. (S.Y.)

  3. Rotationally Resolved Photoelectron Spectroscopic Study of the tilde{A}^+ State of H_2O^+

    Science.gov (United States)

    Lauzin, Clément; Gans, Berenger; Jacovella, Ugo; Merkt, Frederic

    2016-06-01

    This talk will present the analysis of the rotationally resolved pulsed-field-ionization zero-kinetic-energy (PFI-ZEKE) photoelectron spectrum of H_2O and will be focussed on the tilde{A}^+←tilde{X} transitions. H_2O^+ in the tilde{A}^+ state is predicted to be linear. The sensitivity and the high resolution of PFI- ZEKE photoelectron spectroscopy allowed us to observe the rotational structure of low bending vibrational levels of the tilde{A}^+ state of H_2O^+ from the tilde{X} ground electronic state of H_2O. The assignment of the rotational structure of ionic levels previously observed by optical spectroscopy of the tilde{A}^+ - tilde{X}^+ band system of H_2O^+ will be presented and the intensity distribution of the photoelectron spectrum will be discussed in terms of the even or odd nature of the orbital angular momentum quantum number l of the photoelectron. Tentative assignments will be presented for several low-lying vibrational levels of the tilde{A}^+ state and compared with theoretical predictions ^c. They will also be discussed in terms of the rotational structure of higher tilde{A}^+ vibrational levels of the same symmetry. M. Brommer, B. Weis, B. Follmeg, P. Rosmus, S. Carter, N. C. Handy, H. J. Werner, and P. J. Knowles, J. Chem. Phys. 98, 5222 (1993) H. Lew, Can. J. Phys. 54, 2028 (1976).

  4. Evaluating Superconducting YBCO Film Properties Using X-Ray Photoelectron Spectroscopy (Postprint)

    Science.gov (United States)

    2012-02-01

    AFRL-RZ-WP-TP-2012-0093 EVALUATING SUPERCONDUCTING YBCO FILM PROPERTIES USING X-RAY PHOTOELECTRON SPECTROSCOPY (POSTPRINT) Paul N. Barnes...2012 Conference Paper Postprint 01 January 2002 – 01 January 2004 4. TITLE AND SUBTITLE EVALUATING SUPERCONDUCTING YBCO FILM PROPERTIES USING X-RAY

  5. X-ray photoelectron spectroscopy for the study of microbial cell surfaces

    NARCIS (Netherlands)

    van der Mei, Henderina C; de Vries, Jacob; Busscher, Hendrik J

    2000-01-01

    X-ray photoelectron spectroscopy (XPS) is well known for the characterisation of material surfaces, but at first glance, is an unexpected technique to study the composition of microbial cell surfaces. Despite the fact that intimate contact between materials and microbial cell surfaces occurs in many

  6. Unraveling nonadiabatic ionization and Coulomb potential effect in strong-field photoelectron holography

    Science.gov (United States)

    Song, Xiaohong; Lin, Cheng; Sheng, Zhihao; Liu, Peng; Chen, Zhangjin; Yang, Weifeng; Hu, Shilin; Lin, C. D.; Chen, Jing

    2016-06-01

    Strong field photoelectron holography has been proposed as a means for interrogating the spatial and temporal information of electrons and ions in a dynamic system. After ionization, part of the electron wave packet may directly go to the detector (the reference wave), while another part may be driven back and scatters off the ion(the signal wave). The interference hologram of the two waves may be used to extract target information embedded in the collision process. Unlike conventional optical holography, however, propagation of the electron wave packet is affected by the Coulomb potential as well as by the laser field. In addition, electrons are emitted over the whole laser pulse duration, thus multiple interferences may occur. In this work, we used a generalized quantum-trajectory Monte Carlo method to investigate the effect of Coulomb potential and the nonadiabatic subcycle ionization on the photoelectron hologram. We showed that photoelectron hologram can be well described only when the effect of nonadiabatic ionization is accounted for, and Coulomb potential can be neglected only in the tunnel ionization regime. Our results help paving the way for establishing photoelectron holography for probing spatial and dynamic properties of atoms and molecules.

  7. Molecular-Frame 3D Photoelectron Momentum Distributions by Tomographic Reconstruction

    DEFF Research Database (Denmark)

    Maurer, Jochen; Dimitrovski, Darko; Christensen, Lauge

    2012-01-01

    Naphthalene molecules are fixed in space by a laser field and rotated, in 2° steps, over 180°. For each orientation, they are ionized by an intense, circularly polarized femtosecond laser pulse, and the 2D projection of the photoelectron momentum distribution is recorded. The molecular-frame 3D m...

  8. X-ray photoelectron spectroscopy for the study of microbial cell surfaces

    NARCIS (Netherlands)

    van der Mei, Henderina C; de Vries, Jacob; Busscher, Hendrik J

    2000-01-01

    X-ray photoelectron spectroscopy (XPS) is well known for the characterisation of material surfaces, but at first glance, is an unexpected technique to study the composition of microbial cell surfaces. Despite the fact that intimate contact between materials and microbial cell surfaces occurs in many

  9. A diphoton resonance from bulk RS

    Science.gov (United States)

    Csáki, Csaba; Randall, Lisa

    2016-07-01

    Recent LHC data hinted at a 750 GeV mass resonance that decays into two photons. A significant feature of this resonance is that its decays to any other Standard Model particles would be too low to be detected so far. Such a state has a compelling explanation in terms of a scalar or a pseudoscalar that is strongly coupled to vector states charged under the Standard Model gauge groups. Such a scenario is readily accommodated in bulk RS with a scalar localized in the bulk away from but close to the Higgs. Turning this around, we argue that a good way to find the elusive bulk RS model might be the search for a resonance with prominent couplings to gauge bosons.

  10. A stereoscopic look into the bulk

    Science.gov (United States)

    Czech, Bartlomiej; Lamprou, Lampros; McCandlish, Samuel; Mosk, Benjamin; Sully, James

    2016-07-01

    We present the foundation for a holographic dictionary with depth perception. The dictionary consists of natural CFT operators whose duals are simple, diffeomorphisminvariant bulk operators. The CFT operators of interest are the "OPE blocks," contributions to the OPE from a single conformal family. In holographic theories, we show that the OPE blocks are dual at leading order in 1 /N to integrals of effective bulk fields along geodesics or homogeneous minimal surfaces in anti-de Sitter space. One widely studied example of an OPE block is the modular Hamiltonian, which is dual to the fluctuation in the area of a minimal surface. Thus, our operators pave the way for generalizing the Ryu-Takayanagi relation to other bulk fields.

  11. Bulk amorphous Mg-based alloys

    DEFF Research Database (Denmark)

    Pryds, Nini

    2004-01-01

    The present paper describes the preparation and properties of bulk amorphous quarternary Mg-based alloys and the influence of additional elements on the ability of the alloy to form bulk amorphous. The main goal is to find a Mg-based alloy system which shows both high strength to weight ratio...... and a low glass transition temperature. The alloys were prepared by using a relatively simple technique, i.e. rapid cooling of the melt in a copper wedge mould. The essential structural changes that are achieved by going from the amorphous to the crystalline state through the supercooled liquid state...... are discussed in this paper. On the basis of these measurements phase diagrams of the different systems were constructed. Finally, it is demonstrated that when pressing the bulk amorphous alloy onto a metallic dies at temperatures within the supercooled liquid region, the alloy faithfully replicates the surface...

  12. Orchestrating Bulk Data Movement in Grid Environments

    Energy Technology Data Exchange (ETDEWEB)

    Vazhkudai, SS

    2005-01-25

    Data Grids provide a convenient environment for researchers to manage and access massively distributed bulk data by addressing several system and transfer challenges inherent to these environments. This work addresses issues involved in the efficient selection and access of replicated data in Grid environments in the context of the Globus Toolkit{trademark}, building middleware that (1) selects datasets in highly replicated environments, enabling efficient scheduling of data transfer requests; (2) predicts transfer times of bulk wide-area data transfers using extensive statistical analysis; and (3) co-allocates bulk data transfer requests, enabling parallel downloads from mirrored sites. These efforts have demonstrated a decentralized data scheduling architecture, a set of forecasting tools that predict bandwidth availability within 15% error and co-allocation architecture, and heuristics that expedites data downloads by up to 2 times.

  13. Bulk fields from the boundary OPE

    CERN Document Server

    Guica, Monica

    2016-01-01

    Previous work has established an equality between the geodesic integral of a free bulk field in AdS and the contribution of the conformal descendants of its dual CFT primary operator to the OPE of two other operators inserted at the endpoints of the geodesic. Working in the context of AdS$_3$/CFT$_2$, we extend this relation to include all $1/N$ corrections to the bulk field obtained by dressing it with i) a $U(1)$ current and ii) the CFT stress tensor, and argue it equals the contribution of the Ka\\v{c}-Moody/the Virasoro block to the respective boundary OPE. This equality holds for a particular framing of the bulk field to the boundary that involves a split Wilson line.

  14. Multiphase composites with extremal bulk modulus

    DEFF Research Database (Denmark)

    Gibiansky, L. V.; Sigmund, Ole

    2000-01-01

    This paper is devoted to the analytical and numerical study of isotropic elastic composites made of three or more isotropic phases. The ranges of their effective bulk and shear moduli are restricted by the Hashin-Shtrikman-Walpole (HSW) bounds. For two-phase composites, these bounds are attainable......, that is, there exist composites with extreme bulk and shear moduli. For multiphase composites, they may or may not be attainable depending on phase moduli and volume fractions. Sufficient conditions of attainability of the bounds and various previously known and new types of optimal composites...... are described. Most of our new results are related to the two-dimensional problem. A numerical topology optimization procedure that solves the inverse homogenization problem is adopted and used to look for two-dimensional three-phase composites with a maximal effective bulk modulus. For the combination...

  15. Bulk Comptonization by Turbulence in Accretion Disks

    CERN Document Server

    Kaufman, J

    2016-01-01

    Radiation pressure dominated accretion discs around compact objects may have turbulent velocities that greatly exceed the electron thermal velocities within the disc. Bulk Comptonization by the turbulence may therefore dominate over thermal Comptonization in determining the emergent spectrum. Bulk Comptonization by divergenceless turbulence is due to radiation viscous dissipation only. It can be treated as thermal Comptonization by solving the Kompaneets equation with an equivalent "wave" temperature, which is a weighted sum over the power present at each scale in the turbulent cascade. Bulk Comptonization by turbulence with non-zero divergence is due to both pressure work and radiation viscous dissipation. Pressure work has negligible effect on photon spectra in the limit of optically thin turbulence, and in this limit radiation viscous dissipation alone can be treated as thermal Comptonization with a temperature equivalent to the full turbulent power. In the limit of extremely optically thick turbulence, ra...

  16. A Diphoton Resonance from Bulk RS

    CERN Document Server

    Csaki, Csaba

    2016-01-01

    Recent LHC data hints at a 750 GeV mass resonance that decays into two photons. A significant feature of this resonance is that its decays to Higges and to any other Standard Model particles are so far too low to be detected. Such a state has a compelling explanation in terms of a scalar or a pseudoscalar that is strongly coupled to vector states charged under the Standard Model gauge groups. We argue that if the state is a scalar, some form of sequestering is likely to be necessary to naturally explain the suppressed scalar-Higgs interactions. Such a scenario is readily accommodated in bulk RS with a scalar localized in the bulk away from the Higgs. Turning this around, we argue that a good way to find the elusive bulk RS model might be the search for a resonance with prominent couplings to gauge bosons.

  17. Spherically symmetric brane spacetime with bulk gravity

    Science.gov (United States)

    Chakraborty, Sumanta; SenGupta, Soumitra

    2015-01-01

    Introducing term in the five-dimensional bulk action we derive effective Einstein's equation on the brane using Gauss-Codazzi equation. This effective equation is then solved for different conditions on dark radiation and dark pressure to obtain various spherically symmetric solutions. Some of these static spherically symmetric solutions correspond to black hole solutions, with parameters induced from the bulk. Specially, the dark pressure and dark radiation terms (electric part of Weyl curvature) affect the brane spherically symmetric solutions significantly. We have solved for one parameter group of conformal motions where the dark radiation and dark pressure terms are exactly obtained exploiting the corresponding Lie symmetry. Various thermodynamic features of these spherically symmetric space-times are studied, showing existence of second order phase transition. This phenomenon has its origin in the higher curvature term with gravity in the bulk.

  18. Imaging photoelectron circular dichroism of chiral molecules by femtosecond multiphoton coincidence detection.

    Science.gov (United States)

    Lehmann, C Stefan; Ram, N Bhargava; Powis, Ivan; Janssen, Maurice H M

    2013-12-21

    Here, we provide a detailed account of novel experiments employing electron-ion coincidence imaging to discriminate chiral molecules. The full three-dimensional angular scattering distribution of electrons is measured after photoexcitation with either left or right circular polarized light. The experiment is performed using a simplified photoelectron-photoion coincidence imaging setup employing only a single particle imaging detector. Results are reported applying this technique to enantiomers of the chiral molecule camphor after three-photon ionization by circularly polarized femtosecond laser pulses at 400 nm and 380 nm. The electron-ion coincidence imaging provides the photoelectron spectrum of mass-selected ions that are observed in the time-of-flight mass spectra. The coincident photoelectron spectra of the parent camphor ion and the various fragment ions are the same, so it can be concluded that fragmentation of camphor happens after ionization. We discuss the forward-backward asymmetry in the photoelectron angular distribution which is expressed in Legendre polynomials with moments up to order six. Furthermore, we present a method, similar to one-photon electron circular dichroism, to quantify the strength of the chiral electron asymmetry in a single parameter. The circular dichroism in the photoelectron angular distribution of camphor is measured to be 8% at 400 nm. The electron circular dichroism using femtosecond multiphoton excitation is of opposite sign and about 60% larger than the electron dichroism observed before in near-threshold one-photon ionization with synchrotron excitation. We interpret our multiphoton ionization as being resonant at the two-photon level with the 3s and 3p Rydberg states of camphor. Theoretical calculations are presented that model the photoelectron angular distribution from a prealigned camphor molecule using density functional theory and continuum multiple scattering X alpha photoelectron scattering calculations

  19. Making bulk-conductive glass microchannel plates

    Science.gov (United States)

    Yi, Jay J. L.; Niu, Lihong

    2008-02-01

    The fabrication of microchannel plate (MCP) with bulk-conductive characteristics has been studied. Semiconducting clad glass and leachable core glass were used for drawing fibers and making MCP. Co-axial single fiber was drawn from a platinum double-crucible in an automatic fiberizing system, and the fibers were stacked and redrawn into multifiber by a special gripping mechanism. The multifibers were stacked again and the boule was made and sliced into discs. New MCPs were made after chemically leaching process without the traditional hydrogen firing. It was shown that bulk-conductive glass MCP can operate at higher voltage with lower noise.

  20. "Work-Hardenable" ductile bulk metallic glass.

    Science.gov (United States)

    Das, Jayanta; Tang, Mei Bo; Kim, Ki Buem; Theissmann, Ralf; Baier, Falko; Wang, Wei Hua; Eckert, Jürgen

    2005-05-27

    Usually, monolithic bulk metallic glasses undergo inhomogeneous plastic deformation and exhibit poor ductility (< 1%) at room temperature. We present a new class of bulk metallic glass, which exhibits high strength of up to 2265 MPa together with extensive "work hardening" and large ductility of 18%. Significant increase in the flow stress was observed during deformation. The "work-hardening" capability and ductility of this class of metallic glass is attributed to a unique structure correlated with atomic-scale inhomogeneity, leading to an inherent capability of extensive shear band formation, interactions, and multiplication of shear bands.

  1. Synthesis of Bulk Superconducting Magnesium Diboride

    Directory of Open Access Journals (Sweden)

    Margie Olbinado

    2002-06-01

    Full Text Available Bulk polycrystalline superconducting magnesium diboride, MgB2, samples were successfully prepared via a one-step sintering program at 750°C, in pre Argon with a pressure of 1atm. Both electrical resistivity and magnetic susceptibility measurements confirmed the superconductivity of the material at 39K, with a transition width of 5K. The polycrystalline nature, granular morphology, and composition of the sintered bulk material were confirmed using X-ray diffractometry (XRD, scanning electron microscopy (SEM, and energy dispersive X-ray analysis (EDX.

  2. Towards a Reconstruction of General Bulk Metrics

    CERN Document Server

    Engelhardt, Netta

    2016-01-01

    We prove that the metric of a general holographic spacetime can be reconstructed (up to an overall conformal factor) from distinguished spatial slices - "light-cone cuts" - of the conformal boundary. Our prescription is covariant and applies to bulk points in causal contact with the boundary. Furthermore, we describe a procedure for determining the light-cone cuts corresponding to bulk points in the causal wedge of the boundary in terms of the divergences of correlators in the dual field theory. Possible extensions for determining the conformal factor and including the cuts of points outside of the causal wedge are discussed. We also comment on implications for subregion/subregion duality.

  3. Development of hard X-ray photoelectron SPLEED-based spectrometer applicable for probing of buried magnetic layer valence states

    Energy Technology Data Exchange (ETDEWEB)

    Kozina, Xeniya, E-mail: kozina@uni-mainz.de [Japan Synchrotron Radiation Research Institute, SPring-8, Hyogo 679-5198 (Japan); Ikenaga, Eiji [Japan Synchrotron Radiation Research Institute, SPring-8, Hyogo 679-5198 (Japan); Viol Barbosa, Carlos Eduardo; Ouardi, Siham; Karel, Julie [Max-Planck-Institut für Chemische Physik fester Stoffe, 01187 Dresden (Germany); Yamamoto, Masafumi [Division of Electronics for Informatics, Hokkaido University, Sapporo 060-0814 (Japan); Kobayashi, Keisuke [Japan Atomic Energy Agency, SPring-8, Hyogo 679-5148 (Japan); Elmers, Hans Joachim; Schönhense, Gerd [Institut für Physik, Johannes Gutenberg – Universität, 55099 Mainz (Germany); Felser, Claudia [Max-Planck-Institut für Chemische Physik fester Stoffe, 01187 Dresden (Germany)

    2016-08-15

    Highlights: • A high-voltage compatible spin-HAXPES detector based on SPLEED from W(001) has been developed. • Magnetic properties of a TMR device were studied by core-level photoemission on the Fe 2p{sub 3/2} states. • The developed instrument enabled probing of buried layers in the region of the valence states. - Abstract: A novel design of high-voltage compatible polarimeter for spin-resolved hard X-ray photoelectron spectroscopy (Spin-HAXPES) went into operation at beamline BL09XU of SPring-8 in Hyogo, Japan. The detector is based on the well-established principle of electron diffraction from a W(001) single-crystal at a scattering energy of 103.5 eV. It's special feature is that it can be operated at a high negative bias potential up to 10 kV, necessary to access the HAXPES range. The polarimeter is operated behind a large hemispherical analyzer (Scienta R-4000). It was optimized for high transmission of the transfer optics. A delay-line detector (20 mm dia.) is positioned at the exit plane of the analyzer enabling conventional multichannel intensity spectroscopy simultaneously with single-channel spin analysis. The performance of the combined setup is demonstrated by the spin-resolved data for the valence-region of a FeCo functional layer of a tunneling device, buried beneath 3 nm of oxidic material. The well-structured spin polarization spectrum validates Spin-HAXPES in the valence energy range as powerful method for bulk electronic structure analysis. The spin polarization spectrum exhibits a rich structure, originating from clearly discernible transitions in the majority and minority partial spin spectra.

  4. Angle resolved x-ray photoelectron spectroscopy (ARXPS) analysis of lanthanum oxide for micro-flexography printing

    Energy Technology Data Exchange (ETDEWEB)

    Hassan, S., E-mail: suhaimihas@uthm.edu.my; Yusof, M. S., E-mail: mdsalleh@uthm.edu.my; Maksud, M. I., E-mail: midris1973@gmail.com [Faculty of Mechanical and Manufacturing Engineering, Universiti Tun Hussein Onn Malaysia, 86400 Batu Pahat, Johor (Malaysia); Embong, Z., E-mail: zaidi@uthm.edu.my [Faculty of Science, Technology and Human Development, Universiti Tun Hussein Onn Malaysia, 86400 Batu Pahat, Johor (Malaysia)

    2016-01-22

    Micro-flexography printing was developed in patterning technique from micron to nano scale range to be used for graphic, electronic and bio-medical device on variable substrates. In this work, lanthanum oxide (La{sub 2}O{sub 3}) has been used as a rare earth metal candidate as depositing agent. This metal deposit was embedded on Carbon (C) and Silica (Si) wafer substrate using Magnetron Sputtering technique. The choose of Lanthanum as a target is due to its wide application in producing electronic devices such as thin film battery and printed circuit board. The La{sub 2}O{sub 3} deposited on the surface of Si wafer substrate was then analyzed using Angle Resolve X-Ray Photoelectron Spectroscopy (ARXPS). The position for each synthetic component in the narrow scan of Lanthanum (La) 3d and O 1s are referred to the electron binding energy (eV). The La 3d narrow scan revealed that the oxide species of this particular metal is mainly contributed by La{sub 2}O{sub 3} and La(OH){sub 3}. The information of oxygen species, O{sup 2-} component from O 1s narrow scan indicated that there are four types of species which are contributed from the bulk (O{sup 2−}), two chemisorb component (La{sub 2}O{sub 3}) and La(OH){sub 3} and physisorp component (OH). Here, it is proposed that from the adhesive and surface chemical properties of La, it is suitable as an alternative medium for micro-flexography printing technique in printing multiple fine solid lines at nano scale. Hence, this paper will describe the capability of this particular metal as rare earth metal for use in of micro-flexography printing practice. The review of other parameters contributing to print fine lines will also be described later.

  5. Maximum probing depth of low-energy photoelectrons in an amorphous organic semiconductor film

    Energy Technology Data Exchange (ETDEWEB)

    Ozawa, Yusuke [Graduate School of Advanced Integration Science, Chiba University, 1-33 Yayoi-cho, Inage-ku, Chiba 263-8522 (Japan); Nakayama, Yasuo, E-mail: nkym@restaff.chiba-u.jp [Graduate School of Advanced Integration Science, Chiba University, 1-33 Yayoi-cho, Inage-ku, Chiba 263-8522 (Japan); Machida, Shin’ichi; Kinjo, Hiroumi [Graduate School of Advanced Integration Science, Chiba University, 1-33 Yayoi-cho, Inage-ku, Chiba 263-8522 (Japan); Ishii, Hisao [Graduate School of Advanced Integration Science, Chiba University, 1-33 Yayoi-cho, Inage-ku, Chiba 263-8522 (Japan); Center for Frontier Science, Chiba University, 1-33 Yayoi-cho, Inage-ku, Chiba 263-8522 (Japan)

    2014-12-15

    Highlights: • Photoelectron attenuation lengths (AL) through amorphous organic films were examined. • In the energy range below 9 eV, AL fluctuates unlike a prediction by universal curve. • AL of photoelectron yield spectroscopy (PYS) measurements was found to be ∼3.6 nm. • PYS signals still survived through an 18 nm-thick film despite such a moderate AL. • This indicates buried interfaces in practical organic devices can be accessed by PYS. - Abstract: The attenuation length (AL) of low energy photoelectrons inside a thin film of a π-conjugated organic semiconductor material, 2,2′,2″-(1,3,5-benzinetriyl)-tris(1-phenyl-1-H-benzimidazole), was investigated using ultraviolet photoelectron spectroscopy (UPS) and photoelectron yield spectroscopy (PYS) to discuss their probing depth in amorphous organic thin films. The present UPS results indicated that the AL is 2–3 nm in the electron energy range of 6.3–8.3 eV with respect to the Fermi level, while the PYS measurements which collected the excited electrons in a range of 4.5–6 eV exhibited a longer AL of 3.6 nm. Despite this still short AL in comparison to a typical thickness range of electronic devices that are a few tens of nm-thick, the photoemission signal penetrating through further thicker (18 nm) organic film was successfully detected by PYS. This fact suggests that the electronic structures of “buried interfaces” inside practical organic devices are accessible using this rather simple measurement technique.

  6. Quantitative interpretation of molecular dynamics simulations for X-ray photoelectron spectroscopy of aqueous solutions

    Science.gov (United States)

    Olivieri, Giorgia; Parry, Krista M.; Powell, Cedric J.; Tobias, Douglas J.; Brown, Matthew A.

    2016-04-01

    Over the past decade, energy-dependent ambient pressure X-ray photoelectron spectroscopy (XPS) has emerged as a powerful analytical probe of the ion spatial distributions at the vapor (vacuum)-aqueous electrolyte interface. These experiments are often paired with complementary molecular dynamics (MD) simulations in an attempt to provide a complete description of the liquid interface. There is, however, no systematic protocol that permits a straightforward comparison of the two sets of results. XPS is an integrated technique that averages signals from multiple layers in a solution even at the lowest photoelectron kinetic energies routinely employed, whereas MD simulations provide a microscopic layer-by-layer description of the solution composition near the interface. Here, we use the National Institute of Standards and Technology database for the Simulation of Electron Spectra for Surface Analysis (SESSA) to quantitatively interpret atom-density profiles from MD simulations for XPS signal intensities using sodium and potassium iodide solutions as examples. We show that electron inelastic mean free paths calculated from a semi-empirical formula depend strongly on solution composition, varying by up to 30% between pure water and concentrated NaI. The XPS signal thus arises from different information depths in different solutions for a fixed photoelectron kinetic energy. XPS signal intensities are calculated using SESSA as a function of photoelectron kinetic energy (probe depth) and compared with a widely employed ad hoc method. SESSA simulations illustrate the importance of accounting for elastic-scattering events at low photoelectron kinetic energies (hoc method systematically underestimates the preferential enhancement of anions over cations. Finally, some technical aspects of applying SESSA to liquid interfaces are discussed.

  7. Ultrafast Internal Conversion of Aromatic Molecules Studied by Photoelectron Spectroscopy using Sub-20 fs Laser Pulses

    Directory of Open Access Journals (Sweden)

    Toshinori Suzuki

    2014-02-01

    Full Text Available This article describes our recent experimental studies on internal conversion via a conical intersection using photoelectron spectroscopy. Ultrafast S2(ππ*–S1(nπ* internal conversion in pyrazine is observed in real time using sub-20 fs deep ultraviolet pulses (264 and 198 nm. While the photoelectron kinetic energy distribution does not exhibit a clear signature of internal conversion, the photoelectron angular anisotropy unambiguously reveals the sudden change of electron configuration upon internal conversion. An explanation is presented as to why these two observables have different sensitivities to internal conversion. The 198 nm probe photon energy is insufficient for covering the entire Franck-Condon envelopes upon photoionization from S2/S1 to D1/D0. A vacuum ultraviolet free electron laser (SCSS producing 161 nm radiation is employed to solve this problem, while its pulse-to-pulse timing jitter limits the time resolution to about 1 ps. The S2–S1 internal conversion is revisited using the sub-20 fs 159 nm pulse created by filamentation four-wave mixing. Conical intersections between D1(π−1 and D0(n−1 and also between the Rydberg state with a D1 ion core and that with a D0 ion core of pyrazine are studied by He(I photoelectron spectroscopy, pulsed field ionization photoelectron spectroscopy and one-color resonance-enhanced multiphoton ionization spectroscopy. Finally, ultrafast S2(ππ*–S1(ππ* internal conversion in benzene and toluene are compared with pyrazine.

  8. Multiple-plateau structure and scaling relation in photoelectron spectra of high-order above-threshold ionization

    Institute of Scientific and Technical Information of China (English)

    Wu Yan; Ye Hui-Liang; Zhang Jing-Tao; Guo Dong-Sheng

    2012-01-01

    By developing a full quantum scattering theory of high-order above-threshold ionization,we study the energy spectra and the angular distributions of photoelectrons from atoms with intense laser fields shining on them.We find that real rescattering can occur many times,and even infinite times.The photoelectrons from the rescattering process form a broad plateau in the kinetic-energy spectrum.We further disclose a multiple-plateau structure formed by the high-energy photoelectrons,which absorb many photons during the rescattering process.Moreover,we find that both the angular distributions and the kinetic-energy spectra of photoelectrons obey the same scaling law as that for directly emitted photoelectrons.

  9. Simply Discourse The Opening Of Photoelectronics%论某学院光电子专业的开设

    Institute of Scientific and Technical Information of China (English)

    陈昊

    2011-01-01

    Photoelectronics which is emergent subject is more and more attched important to with the high developing of photoelectronic industry. In this thesis, beginning with the definition of photoelectronics, it' s necessary for our college to open photoelectronics subject. The thesis places emphases on orientation of photoelectronics and the arrangement of the courses.%光电子专业作为一个新兴专业,伴随光电子产业飞速发展受到越来越多的大专院校的重视。文章从光电子定义说起,阐述了我校开设光电子专业的必要性。重点讨论我校开设光电子专业定位,以及课程设计方面的具体问题。

  10. Photoelectron emission from metal surfaces induced by VUV-emission of filament driven hydrogen arc discharge plasma

    Energy Technology Data Exchange (ETDEWEB)

    Laulainen, J.; Kalvas, T.; Koivisto, H.; Komppula, J.; Tarvainen, O. [University of Jyväskylä, Department of Physics (Finland)

    2015-04-08

    Photoelectron emission measurements have been performed using a filament-driven multi-cusp arc discharge volume production H{sup −} ion source (LIISA). It has been found that photoelectron currents obtained with Al, Cu, Mo, Ta and stainless steel (SAE 304) are on the same order of magnitude. The photoelectron currents depend linearly on the discharge power. It is shown experimentally that photoelectron emission is significant only in the short wavelength range of hydrogen spectrum due to the energy dependence of the quantum efficiency. It is estimated from the measured data that the maximum photoelectron flux from plasma chamber walls is on the order of 1 A per kW of discharge power.

  11. Polymer-fullerene bulk heterojunction solar cells

    NARCIS (Netherlands)

    Janssen, RAJ; Hummelen, JC; Saricifti, NS

    2005-01-01

    Nanostructured phase-separated blends, or bulk heterojunctions, of conjugated Polymers and fullerene derivatives form a very attractive approach to large-area, solid-state organic solar cells.The key feature of these cells is that they combine easy, processing from solution on a variety of substrate

  12. Failure by fracture in bulk metal forming

    DEFF Research Database (Denmark)

    Silva, C.M.A.; Alves, Luis M.; Nielsen, Chris Valentin

    2015-01-01

    This paper revisits formability in bulk metal forming in the light of fundamental concepts of plasticity,ductile damage and crack opening modes. It proposes a new test to appraise the accuracy, reliability and validity of fracture loci associated with crack opening by tension and out-of-plane she...

  13. THE OPTIMIZATION OF PLUSH YARNS BULKING PROCESS

    Directory of Open Access Journals (Sweden)

    VINEREANU Adam

    2014-05-01

    Full Text Available This paper presents the experiments that were conducted on the installation of continuous bulking and thermofixing “SUPERBA” type TVP-2S for optimization of the plush yarns bulking process. There were considered plush yarns Nm 6.5/2, made of the fibrous blend of 50% indigenous wool sort 41 and 50% PES. In the first stage, it performs a thermal treatment with a turboprevaporizer at a temperature lower than thermofixing temperature, at atmospheric pressure, such that the plush yarns - deposed in a freely state on a belt conveyor - are uniformly bulking and contracting. It was followed the mathematical modeling procedure, working with a factorial program, rotatable central composite type, and two independent variables. After analyzing the parameters that have a direct influence on the bulking degree, there were selected the pre-vaporization temperature (coded x1,oC and the velocity of belt inside pre-vaporizer (coded x 2, m/min. As for the dependent variable, it was chosen the plush yarn diameter (coded y, mm. There were found the coordinates of the optimal point, and then this pair of values was verified in practice. These coordinates are: x1optim= 90oC and x 2optim= 6.5 m/min. The conclusion is that the goal was accomplished: it was obtained a good cover degree f or double-plush carpets by reducing the number of tufts per unit surface.

  14. Forming of bulk metallic glass microcomponents

    DEFF Research Database (Denmark)

    Wert, John A.; Thomsen, Christian; Jensen, Rune Debel

    2009-01-01

    The present article considers forward extrusion, closed-die forging and backward extrusion processes for fabrication of individual microcomponents from two bulk metallic glass (BMG) compositions: Mg60Cu30Y10 and Zr44Cu40Ag8Al8. Two types of tooling were used in the present work: relatively massive...

  15. Bulk viscosity effects on ultrasonic thermoacoustic instability

    Science.gov (United States)

    Lin, Jeffrey; Scalo, Carlo; Hesselink, Lambertus

    2016-11-01

    We have carried out unstructured fully-compressible Navier-Stokes simulations of a minimal-unit traveling-wave ultrasonic thermoacoustic device in looped configuration. The model comprises a thermoacoustic stack with 85% porosity and a tapered area change to suppress the fundamental standing-wave mode. A bulk viscosity model, which accounts for vibrational and rotational molecular relaxation effects, is derived and implemented via direct modification of the viscous stress tensor, τij ≡ 2 μSij +λ/2 μ ∂uk/∂xk δij , where the bulk viscosity is defined by μb ≡ λ +2/3 μ . The effective bulk viscosity coefficient accurately captures acoustic absorption from low to high ultrasonic frequencies and matches experimental wave attenuation rates across five decades. Using pressure-based similitude, the model was downscaled from total length L = 2 . 58 m to 0 . 0258 m, corresponding to the frequency range f = 242 - 24200 Hz, revealing the effects of bulk viscosity and direct modification of the thermodynamic pressure. Simulations are carried out to limit cycle and exhibit growth rates consistent with linear stability analyses, based on Rott's theory.

  16. Longitudinal bulk a coustic mass sensor

    DEFF Research Database (Denmark)

    Hales, Jan Harry; Teva, Jordi; Boisen, Anja;

    2009-01-01

    Design, fabrication and characterization, in terms of mass sensitivity, is presented for a polycrystalline silicon longitudinal bulk acoustic cantilever. The device is operated in air at 51 MHz, resulting in a mass sensitivity of 100 HZ/fg (1 fg = 10{su−15 g). The initial characterization...

  17. Winterization strategies for bulk storage of pickles

    Science.gov (United States)

    Cucumbers are commercially fermented and stored in bulk in outdoor open top fiberglass tanks. During winter, snow and ice accumulates around and on top of tanks influencing heat transfer in an unpredictable manner, often compromising the fruit quality. This study evaluates the performance of inexpen...

  18. A Stereoscopic Look into the Bulk

    CERN Document Server

    Czech, Bartlomiej; McCandlish, Samuel; Mosk, Benjamin; Sully, James

    2016-01-01

    We present the foundation for a holographic dictionary with depth perception. The dictionary consists of natural CFT operators whose duals are simple, diffeomorphism-invariant bulk operators. The CFT operators of interest are the "OPE blocks," contributions to the OPE from a single conformal family. In holographic theories, we show that the OPE blocks are dual at leading order in 1/N to integrals of effective bulk fields along geodesics or homogeneous minimal surfaces in anti-de Sitter space. One widely studied example of an OPE block is the modular Hamiltonian, which is dual to the fluctuation in the area of a minimal surface. Thus, our operators pave the way for generalizing the Ryu-Takayanagi relation to other bulk fields. Although the OPE blocks are non-local operators in the CFT, they admit a simple geometric description as fields in kinematic space--the space of pairs of CFT points. We develop the tools for constructing local bulk operators in terms of these non-local objects. The OPE blocks also allow ...

  19. Fluctuating brane in a dilatonic bulk

    CERN Document Server

    Brax, P; Rodríguez-Martinez, M; Brax, Philippe; Langlois, David; Rodriguez-Martinez, Maria

    2003-01-01

    We consider a cosmological brane moving in a static five-dimensional bulk spacetime endowed with a scalar field whose potential is exponential. After studying various cosmological behaviours for the homogeneous background, we investigate the fluctuations of the brane that leave spacetime unaffected. A single mode embodies these fluctuations and obeys a wave equation which we study for bouncing and ever-expanding branes.

  20. Meteoroid Bulk Density and Ceplecha Types

    Science.gov (United States)

    Blaauw, R. C.; Moser, D. E.; Moorhead, A. V.

    2017-01-01

    The determination of asteroid bulk density is an important aspect of Near Earth Object (NEO) characterization. A fraction of meteoroids originate from asteroids (including some NEOs), thus in lieu of mutual perturbations, satellites, or expensive spacecraft missions, a study of meteoroid bulk densities can potentially provide useful insights into the densities of NEOs and PHOs (Potentially Hazardous Objects). Meteoroid bulk density is still inherently difficult to measure, and is most often determined by modeling the ablation of the meteoroid. One approach towards determining a meteoroid density distribution entails using a more easily measured proxy for the densities, then calibrating the proxy with known densities from meteorite falls, ablation modelling, and other sources. An obvious proxy choice is the Ceplecha type, KB (Ceplecha, 1958), which is thought to indicate the strength of a meteoroid and often correlated to different bulk densities in literature. KB is calculated using the air density at the beginning height of the meteor, the initial velocity, and the zenith angle of the radiant; quantities more readily determined than meteoroid bulk density itself. Numerical values of K(sub B) are sorted into groups (A, B, C, etc.), which have been matched to meteorite falls or meteor showers with known composition such as the porous Draconids. An extensive survey was conducted to establish the strength of the relationship between bulk density and K(sub B), specifically looking at those that additionally determined K(sub B) for the meteors. In examining the modeling of high-resolution meteor data from Kikwaya et al. (2011), the correlation between K(sub B) and bulk density was not as strong as hoped. However, a distinct split by dynamical type was seen with Jovian Tisserand parameter (T(sub J)), with meteoroids from Halley Type comets (T(sub J) densities than those originating from Jupiter Family comets and asteroids (T(sub J) > 2). Therefore, this work indicates

  1. Integration of bulk piezoelectric materials into microsystems

    Science.gov (United States)

    Aktakka, Ethem Erkan

    Bulk piezoelectric ceramics, compared to deposited piezoelectric thin-films, provide greater electromechanical coupling and charge capacity, which are highly desirable in many MEMS applications. In this thesis, a technology platform is developed for wafer-level integration of bulk piezoelectric substrates on silicon, with a final film thickness of 5-100microm. The characterized processes include reliable low-temperature (200°C) AuIn diffusion bonding and parylene bonding of bulk-PZT on silicon, wafer-level lapping of bulk-PZT with high-uniformity (+/-0.5microm), and low-damage micro-machining of PZT films via dicing-saw patterning, laser ablation, and wet-etching. Preservation of ferroelectric and piezoelectric properties is confirmed with hysteresis and piezo-response measurements. The introduced technology offers higher material quality and unique advantages in fabrication flexibility over existing piezoelectric film deposition methods. In order to confirm the preserved bulk properties in the final film, diaphragm and cantilever beam actuators operating in the transverse-mode are designed, fabricated and tested. The diaphragm structure and electrode shapes/sizes are optimized for maximum deflection through finite-element simulations. During tests of fabricated devices, greater than 12microm PP displacement is obtained by actuation of a 1mm2 diaphragm at 111kHz with management IC, which incorporates a supply-independent bias circuitry, an active diode for low-dropout rectification, a bias-flip system for higher efficiency, and a trickle battery charger. The overall system does not require a pre-charged battery, and has power consumption of sleep-mode (simulated). Under lg vibration at 155Hz, a 70mF ultra-capacitor is charged from OV to 1.85V in 50 minutes.

  2. 46 CFR 148.04-23 - Unslaked lime in bulk.

    Science.gov (United States)

    2010-10-01

    ... 46 Shipping 5 2010-10-01 2010-10-01 false Unslaked lime in bulk. 148.04-23 Section 148.04-23... HAZARDOUS MATERIALS IN BULK Special Additional Requirements for Certain Material § 148.04-23 Unslaked lime in bulk. (a) Unslaked lime in bulk must be transported in unmanned, all steel, double-hulled...

  3. Bulk solitary waves in elastic solids

    Science.gov (United States)

    Samsonov, A. M.; Dreiden, G. V.; Semenova, I. V.; Shvartz, A. G.

    2015-10-01

    A short and object oriented conspectus of bulk solitary wave theory, numerical simulations and real experiments in condensed matter is given. Upon a brief description of the soliton history and development we focus on bulk solitary waves of strain, also known as waves of density and, sometimes, as elastic and/or acoustic solitons. We consider the problem of nonlinear bulk wave generation and detection in basic structural elements, rods, plates and shells, that are exhaustively studied and widely used in physics and engineering. However, it is mostly valid for linear elasticity, whereas dynamic nonlinear theory of these elements is still far from being completed. In order to show how the nonlinear waves can be used in various applications, we studied the solitary elastic wave propagation along lengthy wave guides, and remarkably small attenuation of elastic solitons was proven in physical experiments. Both theory and generation for strain soliton in a shell, however, remained unsolved problems until recently, and we consider in more details the nonlinear bulk wave propagation in a shell. We studied an axially symmetric deformation of an infinite nonlinearly elastic cylindrical shell without torsion. The problem for bulk longitudinal waves is shown to be reducible to the one equation, if a relation between transversal displacement and the longitudinal strain is found. It is found that both the 1+1D and even the 1+2D problems for long travelling waves in nonlinear solids can be reduced to the Weierstrass equation for elliptic functions, which provide the solitary wave solutions as appropriate limits. We show that the accuracy in the boundary conditions on free lateral surfaces is of crucial importance for solution, derive the only equation for longitudinal nonlinear strain wave and show, that the equation has, amongst others, a bidirectional solitary wave solution, which lead us to successful physical experiments. We observed first the compression solitary wave in the

  4. Photoelectron Spectroscopy and Theoretical Study of M(IO3)2– (M = H, Li, Na, K): Structural Evolution, Optical Isomers and Hyperhalogen Behavior

    Energy Technology Data Exchange (ETDEWEB)

    Hou, Gao-Lei; Wu, Miao Miao; Wen, Hui; Sun, Qiang N.; Wang, Xue B.; Zheng, Weijun

    2013-07-31

    H(IO3)2- and M(IO3)2- (M = Li, Na, K) anions were successfully produced via electrospray ionization of their corresponding bulk salt solutions, and were characterized by combining negative ion photoelectron spectroscopy and quantum chemical calculations. The photoelectron spectra reveal that all these M(IO3)2- species possess very high vertical detachment energies (VDEs), to be 6.25, 6.57, 6.60 and 6.51 eV for H(IO3)2-, Li(IO3)2-, Na(IO3)2- and K(IO3)2-, respectively, which are much higher than that of IO3- (4.77 eV). The theoretical calculations show that each of these anions has two energetically degenerated optical isomers. It is found that the structure of H(IO3)2- can be written as IO3-(HIO3), in which the H atom is tightly bound to one of the IO3- groups and forms an iodic acid (HIO3) molecule; while the structures of M(IO3)2- can be written as (IO3-)M+(IO3-), in which the alkali metal atoms interact with the two IO3- groups almost equally and bridge the two IO3- groups via two O atoms of each IO3- with the two MOOI planes nearly perpendicular to each other. In addition, the high VDEs of M(IO3)2- (M = Li, Na, K) can be explained by the hyperhalogen behavior of their neutral counterparts.

  5. Stability of Bulk Metallic Glass Structure. Final Report

    Energy Technology Data Exchange (ETDEWEB)

    Jain, H.; Williams, D. B.

    2003-06-01

    The fundamental origins of the stability of the (Pd-Ni){sub 80}P{sub 20} bulk metallic glasses (BMGs), a prototype for a whole class of BMG formers, were explored. While much of the properties of their BMGs have been characterized, their glass-stability have not been explained in terms of the atomic and electronic structure. The local structure around all three constituent atoms was obtained, in a complementary way, using extended X-ray absorption fine structure (EXAFS), to probe the nearest neighbor environment of the metals, and extended energy loss fine structure (EXELFS), to investigate the environment around P. The occupied electronic structure was investigated using X-ray photoelectron spectroscopy (XPS). The (Pd-Ni){sub 80}P{sub 20} BMGs receive their stability from cumulative, and interrelated, effects of both atomic and electronic origin. The stability of the (Pd-Ni){sub 80}P{sub 20} BMGs can be explained in terms of the stability of Pd{sub 60}Ni{sub 20}P{sub 20} and Pd{sub 30}Ni{sub 50}P{sub 20}, glasses at the end of BMG formation. The atomic structure in these alloys is very similar to those of the binary phosphide crystals near x=0 and x=80, which are trigonal prisms of Pd or Ni atoms surrounding P atoms. Such structures are known to exist in dense, randomly-packed systems. The structure of the best glass former in this series, Pd{sub 40}Ni{sub 40}P{sub 20} is further described by a weighted average of those of Pd{sub 30}Ni{sub 50}P{sub 20} and Pd{sub 60}Ni{sub 20}P{sub 20}. Bonding states present only in the ternary alloys were found and point to a further stabilization of the system through a negative heat of mixing between Pd and Ni atoms. The Nagel and Tauc criterion, correlating a decrease in the density of states at the Fermi level with an increase in the glass stability, was consistent with greater stability of the Pd{sub x}Ni{sub 80-x}P{sub 20} glasses with respect to the binary alloys of P. A valence electron concentration of 1.8 e/a, which

  6. The design of double electrostatic-lens optics for resonance enhanced multiphoton ionization and photoelectron imaging experiments

    Energy Technology Data Exchange (ETDEWEB)

    Qu, Zehua; Li, Chunsheng; Qin, Zhengbo, E-mail: wave0403@163.com, E-mail: xfzheng@mail.ahnu.edu.cn; Zheng, Xianfeng, E-mail: wave0403@163.com, E-mail: xfzheng@mail.ahnu.edu.cn; Yao, Guanxin; Zhang, Xianyi; Cui, Zhifeng [Institute of Atomic and Molecular Physics, Anhui Normal University, Wuhu, Anhui 241000 (China)

    2015-06-15

    Compared to single ion/electron-optics for velocity-map imaging, a double-focusing lens assembly designed not only allows for mapping velocity imaging of photoelectrons but also allows for investigating the vibrational structure of the intermediate states of neutral species in resonance enhanced multiphoton ionization (REMPI) spectra. In this presentation, in order to record REMPI and photoelectron spectra separately, we have constructed a compact photoelectron velocity-map imaging (VMI) apparatus combined with an opposite linear Wiley-Mclaren time-of-flight mass spectrometer (TOFMS). A mass resolution (m/Δm) of ∼1300 for TOFMS and electron energy resolution (ΔE/E) of 2.4% for VMI have been achieved upon three-photon ionization of Xe atom at 258.00 nm laser wavelength. As a benchmark, in combination of one-color (1 + 1) REMPI and photoelectron imaging of benzene via 6{sup 1} and 6{sup 1}1{sup 1} vibronic levels in the S{sub 1} state, the vibrational structures of the cation and photoelectron angular anisotropy are unraveled. In addition, two-color (1 + 1′) REMPI and photoelectron imaging of aniline was used to complete the accurate measurement of ionization potential (62 271 ± 3 cm{sup −1}). The results suggest that the apparatus is a powerful tool for studying photoionization dynamics in the photoelectron imaging using vibrational-state selected excitation to the intermediate states of neutrals based on REMPI technique.

  7. Photoelectron imaging of small aluminum clusters: quantifying s-p hybridization.

    Science.gov (United States)

    Melko, Joshua J; Castleman, A W

    2013-03-07

    Photoelectron imaging experiments and detailed calculations are conducted on Al(n)(-) clusters (n = 3-6) and a calibration method is developed for connecting experimental observations of photoelectron angular distributions to theoretical predictions. It is shown that this method can be used to quantify the degree to which the molecular orbitals are built from s- or p-like atomic orbitals. The highest occupied molecular orbitals of these small aluminum clusters are found to contain varying degrees of s-p mixing, with Al(3)(-) containing the "most hybridized" orbital and Al(4)(-) containing the "least hybridized" orbital. It is shown experimentally that s-p hybridization is already present for the trimer species and, similar to other properties of small metal clusters, oscillates with cluster size.

  8. Determination of the anion O-3 geometry by Franck-Condon simulations of its photoelectron spectrum

    Institute of Scientific and Technical Information of China (English)

    LIANG Jun; KONG Xiang-lei; ZHANG Xian-yi; LI Hai-yang

    2004-01-01

    A theoretical method to calculate multidimensional Franck-Condon factors including Duschinsky effects is described and used to simulate the photoelectron spectroscopy of the anion O-3. Geometry optimization and harmonic vibrational frequency calculations have been performed on the (X~)1A1 state of O3 and (X~)2B1 state of O-3. Franck-Condon analyses and spectral simulation were carried out on the first photoelectron band of O-3. The theoretical spectrum obtained by employing CCSD(T)/6-311+G(2d,p) values are in excellent agreement with the observed one. In addition, the equilibrium geometry parameters, re(OO)= 0.135 5±0.000 5 nm and θe(O-O-O) =114.5±0.5°, of the (X~)2B1 state of O-3, are derived by employing an iterative Franck-Condon analysis procedure in the spectral simulation.

  9. X-ray-induced photoemission yield for surface studies of solids beyond the photoelectron escape depth

    CERN Document Server

    Stoupin, Stanislav; Zhernenkov, Mikhail

    2016-01-01

    X-ray-induced photoemission in materials research is commonly acknowledged as a method with a probing depth limited by the escape depth of the photoelectrons. This general statement should be complemented with exceptions arising from the distribution of the X-ray wavefield in the material. Here we show that the integral hard-X-ray-induced photoemission yield is modulated by the Fresnel reflectivity of a multilayer structure with the signal originating well below the photoelectron escape depth. A simple electric self-detection of the integral photoemission yield and Fourier data analysis permit extraction of thicknesses of individual layers. The approach does not require detection of the reflected radiation and can be considered as a framework for non-invasive evaluation of buried layers with hard X-rays under grazing incidence.

  10. Photoelectrons and solar ionizing radiation at Mars: Predictions versus MAVEN observations

    Science.gov (United States)

    Peterson, W. K.; Thiemann, E. M. B.; Eparvier, Francis G.; Andersson, Laila; Fowler, C. M.; Larson, Davin; Mitchell, Dave; Mazelle, Christian; Fontenla, Juan; Evans, J. Scott; Xu, Shaosui; Liemohn, Mike; Bougher, Stephen; Sakai, Shotaro; Cravens, T. E.; Elrod, M. K.; Benna, M.; Mahaffy, P.; Jakosky, Bruce

    2016-09-01

    Understanding the evolution of the Martian atmosphere requires knowledge of processes transforming solar irradiance into thermal energy well enough to model them accurately. Here we compare Martian photoelectron energy spectra measured at periapsis by Mars Atmosphere and Volatile Evolution MissioN (MAVEN) with calculations made using three photoelectron production codes and three solar irradiance models as well as modeled and measured CO2 densities. We restricted our comparisons to regions where the contribution from solar wind electrons and ions were negligible. The two intervals examined on 19 October 2014 have different observed incident solar irradiance spectra. In spite of the differences in photoionization cross sections and irradiance spectra used, we find the agreement between models to be within the combined uncertainties associated with the observations from the MAVEN neutral density, electron flux, and solar irradiance instruments.

  11. Photoelectron angular distribution in two-pathway ionization of neon with femtosecond XUV pulses

    CERN Document Server

    Douguet, Nicolas; Staroselskaya, Ekaterina I; Bartschat, Klaus; Grum-Grzhimailo, Alexei N

    2016-01-01

    We analyze the photoelectron angular distribution in two-pathway interference between non\\-resonant one-photon and resonant two-photon ionization of neon. We consider a bichromatic femtosecond XUV pulse whose fundamental frequency is tuned near the $2p^5 3s$ atomic states of neon. The time-dependent Schr\\"odinger equation is solved and the results are employed to compute the angular distribution and the associated anisotropy parameters at the main photoelectron line. We also employ a time-dependent perturbative approach, which allows obtaining information on the process for a large range of pulse parameters, including the steady-state case of continuous radiation, i.e., an infinitely long pulse. The results from the two methods are in relatively good agreement over the domain of applicability of perturbation theory.

  12. A lab-based ambient pressure x-ray photoelectron spectrometer with exchangeable analysis chambers

    Energy Technology Data Exchange (ETDEWEB)

    Newberg, John T., E-mail: jnewberg@udel.edu; Arble, Chris; Goodwin, Chris; Khalifa, Yehia; Broderick, Alicia [Department of Chemistry & Biochemistry, University of Delaware, Newark, Delaware 19716 (United States); Åhlund, John [Scienta AB, Box 15120, 750 15 Uppsala (Sweden)

    2015-08-15

    Ambient pressure X-ray photoelectron spectroscopy (APXPS) is a powerful spectroscopy tool that is inherently surface sensitive, elemental, and chemical specific, with the ability to probe sample surfaces under Torr level pressures. Herein, we describe the design of a new lab-based APXPS system with the ability to swap small volume analysis chambers. Ag 3d(5/2) analyses of a silver foil were carried out at room temperature to determine the optimal sample-to-aperture distance, x-ray photoelectron spectroscopy analysis spot size, relative peak intensities, and peak full width at half maximum of three different electrostatic lens modes: acceleration, transmission, and angular. Ag 3d(5/2) peak areas, differential pumping pressures, and pump performance were assessed under varying N{sub 2}(g) analysis chamber pressures up to 20 Torr. The commissioning of this instrument allows for the investigation of molecular level interfacial processes under ambient vapor conditions in energy and environmental research.

  13. Velocity map imaging of femtosecond laser induced photoelectron emission from metal nanotips

    Science.gov (United States)

    Bainbridge, A. R.; Bryan, W. A.

    2014-10-01

    A novel application of velocity-map imaging (VMI) is demonstrated, whereby the momentum distribution of photoelectrons ejected from a tungsten nanoscale metal tip (VMI instrument are optimized through finite element modelling, taking into account a physically realistic geometry including all conductive elements in the vicinity of the electron trajectories. The instrument is calibrated by observing above threshold ionization in krypton gas, and simultaneous electron emission from this gas and a tungsten nanotip is presented, illustrating that the velocity mapping condition is maintained. Realizing photoelectron VMI for femtosecond laser illuminated nanoscale objects will have a significant impact on the emerging field of ultrafast nanoplasmonics and will influence the development of such devices as a source of coherent pulses of electrons with applications in time-resolved microscopy, holography and diffractive imaging.

  14. Photoelectron and electron momentum spectroscopy of tetrahydrofuran from a molecular dynamical perspective.

    Science.gov (United States)

    Shojaei, S H Reza; Morini, Filippo; Deleuze, Michael S

    2013-03-07

    The results of experimental studies of the valence electronic structure of tetrahydrofuran employing He I photoelectron spectroscopy as well as Electron Momentum Spectroscopy (EMS) have been reinterpreted on the basis of Molecular Dynamical simulations employing the classical MM3 force field and large-scale quantum mechanical simulations employing Born-Oppenheimer Molecular Dynamics in conjunction with the dispersion corrected ωB97XD exchange-correlation functional. Analysis of the produced atomic trajectories demonstrates the importance of thermal deviations from the lowest energy path for pseudorotation, in the form of considerable variations of the ring-puckering amplitude. These deviations are found to have a significant influence on several outer-valence electron momentum distributions, as well as on the He I photoelectron spectrum.

  15. Tracing attosecond electron motion inside a molecule by interferences from photoelectron emission

    Energy Technology Data Exchange (ETDEWEB)

    Xu Minghui; Peng Liangyou; Zhang Zheng; Gong Qihuang, E-mail: liangyou.peng@pku.edu.cn, E-mail: qhgong@pku.edu.cn [State Key Laboratory for Mesoscopic Physics and Department of Physics, Peking University, Beijing 100871 (China)

    2011-01-28

    We present a theoretical study of photoelectron emission of a homonuclear molecule by an attosecond xuv pulse, which can be regarded as a natural double-slit experiment. We show that attosecond electron motion inside the molecule opens one to two 'slits' for photoionization. Interference fringes in the angle-resolved photoelectron momentum distributions exhibit varying visibility (V), depending on the degree of which-path information (P). The complementarity relation, P{sup 2} + V{sup 2} {<=} 1, is verified in the time-dependent molecule double-slit experiment. Hence, the electron motion can be easily mapped out by measuring the interference visibility. This opens up the prospect of employing interferometric techniques to probe ultrafast intramolecular electronic motions. (fast track communication)

  16. Quantum dynamical study of low-energy photoelectron bands of 2-phenylethyl-,-dimethylamine

    Indian Academy of Sciences (India)

    Susana Gómez-Carrasco; Horst Köppel

    2012-01-01

    The first three photoelectron bands of 2-phenylethyl-,-dimethylamine (PENNA) are investigated theoretically, paying particular attention to the vibrational structure and to possible nonadiabatic coupling effects. A substantial vibronic interaction is established between the first and second excited cationic states (corresponding to the second and third photoelectron bands). Their coupling to the cationic ground state is found to be rather weak. This is tentatively attributed to the well-known fact that the latter carries a hole at the amine site, while the former two have the electron removed from benzene-type orbitals. The interaction between the two excited cationic states is characterized by a `hidden’ or local symmetry at the phenyl moiety. Preliminary dynamic calculations with two interacting electronic states and four vibrational modes are reported. The computed spectra are compared to experimental results of Weinkauf et al.

  17. Collection efficiency of photoelectrons injected into near- and supercritical argon gas

    CERN Document Server

    Borghesani, A F

    2012-01-01

    Injection of photoelectrons into gaseous or liquid dielectrics is a widely used technique to produce cold plasmas in weakly ionized systems for investigating the transport properties of electrons. We report measurements of the collection efficiency of photoelectrons injected into dense argon gas for $T=152.7 $K, close to the critical temperature $T_{c}\\approx 150.9 $K, and for $T=200.0 $K. The high-field data agree with the Young-Bradbury model and with previous measurements below $T_{c}$ and at an intermediate temperature above $T_c .$ The effective, density-dependent electron-atom momentum transfer scattering cross section can be deduced. However, the weak-field data near $T_{c}$ show large deviations from the theoretical model. We show that the electron behavior at weak field is influenced by electrostriction effects that are only important near the critical point.

  18. Threshold photoelectron studies of isoxazole over the energy range 9.9-30 eV

    Energy Technology Data Exchange (ETDEWEB)

    Dampc, Marcin; Mielewska, Brygida [Department of Physics of Electronic Phenomena, Gdansk University of Technology, 80-233 Gdansk (Poland); Siggel-King, Michele R.F. [Daresbury Laboratory, Daresbury, Warrington WA4 4AD (United Kingdom); King, George C. [School of Physics and Astronomy, Manchester University, Manchester M13 9PL (United Kingdom); Sivaraman, Bhalamurugan; Ptasinska, Sylwia; Mason, Nigel [Department of Physics and Astronomy, The Open University, Milton Keynes MK7 6AA (United Kingdom); Zubek, Mariusz, E-mail: mazub@mif.pg.gda.pl [Department of Physics of Electronic Phenomena, Gdansk University of Technology, 80-233 Gdansk (Poland)

    2010-02-08

    The threshold photoelectron spectrum of the isoxazole molecule, C{sub 3}H{sub 3}NO has been measured over the photon energy range 9.9-30 eV with the use of synchrotron radiation. In the 9.9-10.8 eV range, corresponding to photoionization from the highest occupied molecular orbital 3a''({pi}{sub 3}), seven well resolved vibrational series have been observed and their modes are tentatively assigned. A strong adiabatic ionization, with an energy of 11.132 {+-} 0.003 eV corresponding to the 2a''({pi}{sub 2}) band, has also been observed. This is followed by a single vibrational series of the {nu}{sub C-H} stretching mode. Photoelectron bands in the energy region 13-30 eV have also been identified, some for the first time.

  19. High-throughput Toroidal Grating Beamline for Photoelectron Spectroscopy at CAMD

    Science.gov (United States)

    Kizilkaya, O; Jiles, R W; Patterson, M C; Thibodeaux, C A; Poliakoff, E D; Sprunger, P T; Kurtz, R L; Morikawa, E

    2016-01-01

    A 5 meter toroidal grating (5m-TGM) beamline has been commissioned to deliver 28 mrad of bending magnet radiation to an ultrahigh vacuum endstation chamber to facilitate angle resolved photoelectron spectroscopy. The 5m-TGM beamline is equipped with Au-coated gratings with 300, 600 and 1200 lines/mm providing monochromatized synchrotron radiation in the energy ranges 25-70 eV, 50–120 eV and 100–240 eV, respectively. The beamline delivers excellent flux (~1014-1017 photons/sec/100mA) and a combined energy resolution of 189 meV for the beamline (at 1.0 mm slit opening) and HA-50 hemispherical analyzer was obtained at the Fermi level of polycrystalline gold crystal. Our preliminary photoelectron spectroscopy results of phenol adsorption on TiO2 (110) surface reveals the metal ion (Ti) oxidation. PMID:27134636

  20. Molecular Frame Photoelectron Angular Distributions as a Probe of Geometry and Auger Dissociation Dynamics

    Science.gov (United States)

    Trevisan, Cynthia S.; Rescigno, Thomas N.; McCurdy, C. William

    2012-06-01

    Compex Kohn variational calculations of the molecular frame photoelectron distributions (MFPADs) for 1s core ionization of CH4, NH3, and H2O are presented for ejected electron energies below 25 eV. Surprisingly, in these three cases there are energy ranges in which the photoelectron MFPADs effectively form ``images'' of the molecular geometry. Comparison with recent momentum imaging experiments on methane at the Advanced Light Source verify this effect. Simultaneous double Auger decay in these molecules can produce dissociation into three charged fragments, e.g., CH2^+ + 2 H^+, allowing the complete orientation of the molecule and therefore the measurement of 3D MFPADs that test these predictions. In other Auger decay channels the measurement of 3D MFPADs verifies axial recoil (prompt dissociation) or probes its absence in the Auger dissociation dynamics of small molecules.

  1. Electron momentum distributions and photoelectron spectra of atoms driven by intense spatially inhomogeneous field

    CERN Document Server

    Ciappina, M F; Shaaran, T; Roso, L; Lewenstein, M

    2013-01-01

    We use three dimensional time-dependent Schr\\"odinger equation (3D--TDSE) to calculate angular electron momentum distributions and photoelectron spectra of atoms driven by spatially inhomogeneous fields. An example for such inhomogeneous fields is the locally enhanced field induced by resonant plasmons, appearing at surfaces of metallic nanoparticles, nanotips and gold bow-tie shape nanostructures. Our studies show that the inhomogeneity of the laser electric field plays an important role in the above threshold ionization process in the tunneling regime, causing significant modifications to the electron momentum distributions and photoelectron spectra, while its effects in the multiphoton regime appear to be negligible. Indeed, through tunneling ATI process, one can obtain higher energy electrons as well as high degree of asymmetry in the momentum space map. In this study we consider near infrared laser fields with intensities in the mid-$10^{14}$ W/cm$^{2}$ range and we use linear approximation to describe t...

  2. Feasibility tests of transmission x-ray photoelectron emission microscopy of wet samples

    Science.gov (United States)

    De Stasio, Gelsomina; Gilbert, B.; Nelson, T.; Hansen, R.; Wallace, J.; Mercanti, D.; Capozi, M.; Baudat, P. A.; Perfetti, P.; Margaritondo, G.; Tonner, B. P.

    2000-01-01

    We performed feasibility tests of photoelectron emission spectromicroscopy of wet samples in the water window (285-532 eV) soft x-ray spectral region. Water was successfully confined in an ultrahigh vacuum compatible compartment with x-ray transparent sides. This water cell was placed in the MEPHISTO spectromicroscope in a transmission geometry, and complete x-ray absorption spectra of the water window region were acquired. We also show micrographs of test samples, mounted outside of the compartment, and imaged through the water. This technique can be used to study liquid chemistry and, at least to the micron level, the microstructure of wet samples. Possibilities include cells in water or buffer, proteins in solution, oils of tribological interest, liquid crystals, and other samples not presently accessible to the powerful x-ray photoelectron emission spectromicroscopy technique.

  3. High energy photoelectron emission from gases using plasmonics enhanced near-fields

    CERN Document Server

    Ciappina, M F; Guichard, R; Pérez-Hernández, J A; Roso, L; Arnold, M; Siegel, T; Zaïr, A; Lewenstein, M

    2013-01-01

    We study theoretically the photoelectron emission in noble gases using plasmonic enhanced near-fields. We demonstrate that these fields have a great potential to generate high energy electrons by direct mid-infrared laser pulses of the current femtosecond oscillator. Typically, these fields appear in the surroundings of plasmonic nanostructures, having different geometrical shape such as bow-ties, metallic waveguides, metal nanoparticles and nanotips, when illuminated by a short laser pulse. In here, we consider metal nanospheres, in which the spatial decay of the near-field of the isolated nanoparticle can be approximated by an exponential function according to recent attosecond streaking measurements. We establish that the strong nonhomogeneous character of the enhanced near-field plays an important role in the above threshold ionization (ATI) process and leads to a significant extension in the photoelectron spectra. In this work, we employ the time dependent Schr\\"odinger equation in reduced dimensions to ...

  4. Electron localization in dissociating $H_2^+$ by retroaction of a photoelectron onto its source

    CERN Document Server

    Waitz, M; Wechselberger, N; Gill, H K; Rist, J; Wiegandt, F; Goihl, C; Kastirke, G; Weller, M; Bauer, T; Metz, D; Sturm, F P; Voigtsberger, J; Zeller, S; Trinter, F; Schiwietz, G; Weber, T; Williams, J B; Schöffler, M S; Schmidt, L Ph H; Jahnke, T; Dörner, R

    2016-01-01

    We investigate the dissociation of $H_2^+$ into a proton and a $H^0$ after single ionization with photons of an energy close to the threshold. We find that the $p^+$ and the $H^0$ do not emerge symmetrically in case of the $H_2^+$ dissociating along the $1s\\sigma_g$ ground state. Instead, a preference for the ejection of the $p^+$ in the direction of the escaping photoelectron can be observed. This symmetry breaking is strongest for very small electron energies. Our experiment is consistent with a recent prediction by Serov and Kheifets [Phys. Rev. A 89, 031402 (2014)]. In their model, which treats the photoelectron classically, the symmetry breaking is induced by the retroaction of the long range Coulomb potential onto the dissociating $H_2^+$.

  5. Photoelectron momentum distributions of the hydrogen molecular ion driven by multicycle near-infrared laser pulses

    Science.gov (United States)

    Murakami, Mitsuko; Chu, Shih-I.

    2016-10-01

    The photoelectron momentum distributions (PMDs) of the hydrogen molecular ion H2+ driven by strong near-infrared laser pulses are studied based on the ab initio numerical solution of the time-dependent Schrödinger equation and the Volkov wave propagation. Both linear and circular polarization are considered, in accordance with the recent experiment by M. Odenweller et al. [Phys. Rev. A 89, 013424 (2014), 10.1103/PhysRevA.89.013424]. We will discuss the difference between the molecular (diatomic) and the atomic PMDs and the effect of molecular potential to the photoelectron energy. In particular, we demonstrate that the above-threshold ionization spectra of H2+ could upshift their energy when driven by a linearly polarized laser field parallel to the molecular axis.

  6. Caveats in the interpretation of time-resolved photoionization measurements: A photoelectron imaging study of pyrrole

    Science.gov (United States)

    Crane, Stuart W.; Zawadzki, Magdalena M.; Thompson, James O. F.; Kotsina, Nikoleta; Ghafur, Omair; Townsend, Dave

    2016-12-01

    We report time-resolved photoelectron imaging studies of gas-phase pyrrole over the 267-240 nm excitation region, recorded in conjunction with a 300 nm probe. Of specific interest is the lowest-lying (3 s /π σ* ) state, which exhibits very weak oscillator strength but is thought to be excited directly at wavelengths ≤254 nm. We conclude, however, that the only significant contribution to our photoelectron data at all wavelengths investigated is from non-resonant ionization. Our findings do not rule out (3 s /π σ* ) state excitation (as appears to be confirmed by supporting time-resolved ion-yield measurements) but do potentially highlight important caveats regarding the use and interpretation of photoreactant ionization measurements to interrogate dynamical processes in systems exhibiting significant topological differences between the potential energy surfaces of the neutral and cation states.

  7. Laboratory-Frame Photoelectron Angular Distributions in Anion Photodetachment: Insight into Electronic Structure and Intermolecular Interactions

    Science.gov (United States)

    Sanov, Andrei

    2014-04-01

    This article provides an overview of some recent advances in the modeling of photoelectron angular distributions in negative-ion photodetachment. Building on the past developments in threshold photodetachment spectroscopy that first tackled the scaling of the partial cross sections with energy, depending on the angular momentum quantum number ℓ, it examines the corresponding formulation of the central potential model and extends it to the more general case of hybrid molecular orbitals. Several conceptual approaches to understanding photoelectron angular distributions are discussed. In one approach, the angular distributions are examined based on the contributions of the symmetry-allowed s and p partial waves of the photodetached electron. In another related approach, the parent molecular orbitals are described based on their dominant s and p characters, whereas the continuum electron is described in terms of interference of the corresponding ℓ = ±1 photodetachment channels.

  8. Vanadium-doped small silicon clusters: Photoelectron spectroscopy and density-functional calculations

    Science.gov (United States)

    Xu, Hong-Guang; Zhang, Zeng-Guang; Feng, Yuan; Yuan, Jinyun; Zhao, Yuchao; Zheng, Weijun

    2010-03-01

    Vanadium-doped small silicon clusters, VSin- and VSin- ( n = 3-6), have been studied by anion photoelectron spectroscopy. The vertical detachment energies (VDEs) and adiabatic detachment energies (ADEs) of these clusters were obtained from their photoelectron spectra. We have also conducted density-functional calculations of VSin- and VSin- clusters and determined their structures by comparison of theoretical calculations with experimental results. Our results show that two V atoms in VSin- clusters tend to form a strong V-V bond. VSi6- has D3d symmetry with the six Si atoms forming a chair like six-membered ring similar to the ring in cyclohexane and the two vanadium atoms are joined with a δ bond.

  9. Photoelectron spectroscopy of acetone cluster anions, [(CH)2CO]n-(n=2,5-15)

    Science.gov (United States)

    Nakanishi, Ryuzo; Muraoka, Azusa; Nagata, Takashi

    2006-08-01

    Photoelectron images of [(CH)2CO]n-(n=2,5-15) were recorded at 3.49 eV. Analysis of the images provided the vertical detachment energies (VDEs) and photoelectron angular distributions (PADs) of [(CH)2CO]n-. The n-dependence of these quantities starts with VDE = 0.83 ± 0.03 eV and β ≈ -0.3 at n = 2, and it ends up with 2.83 ± 0.03 eV and ≈0.1 at n = 15. These findings, in conjunction with ab initio results, indicate: (1) the formation of a specific anion structure at n = 2; and (2) the presence of a solvent-stabilized (CH 3) 2CO - valence anion in the larger analogues.

  10. Calculation of photodetachment cross sections and photoelectron angular distributions of negative ions using density functional theory

    Science.gov (United States)

    Liu, Yuan; Ning, Chuangang

    2015-10-01

    Recently, the development of photoelectron velocity map imaging makes it much easier to obtain the photoelectron angular distributions (PADs) experimentally. However, explanations of PADs are only qualitative in most cases, and very limited works have been reported on how to calculate PAD of anions. In the present work, we report a method using the density-functional-theory Kohn-Sham orbitals to calculate the photodetachment cross sections and the anisotropy parameter β. The spherical average over all random molecular orientation is calculated analytically. A program which can handle both the Gaussian type orbital and the Slater type orbital has been coded. The testing calculations on Li-, C-, O-, F-, CH-, OH-, NH2-, O2-, and S2- show that our method is an efficient way to calculate the photodetachment cross section and anisotropy parameter β for anions, thus promising for large systems.

  11. A flexible apparatus for attosecond photoelectron spectroscopy of solids and surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Magerl, E.; Stanislawski, M.; Uphues, Th. [Max-Planck-Institut fuer Quantenoptik, Hans-Kopfermann-Strasse 1, 85748 Garching (Germany); Neppl, S.; Barth, J. V.; Menzel, D.; Feulner, P. [Physik Department E20, Technische Universitaet Muenchen, James-Franck-Strasse, 85748 Garching (Germany); Cavalieri, A. L. [Max-Planck-Institut fuer Quantenoptik, Hans-Kopfermann-Strasse 1, 85748 Garching (Germany); Max-Planck Research Department for Structural Dynamics, Universitaet Hamburg, Notkestrasse 85, 22607 Hamburg (Germany); Bothschafter, E. M.; Ernstorfer, R.; Kienberger, R. [Max-Planck-Institut fuer Quantenoptik, Hans-Kopfermann-Strasse 1, 85748 Garching (Germany); Physik Department E11, Technische Universitaet Muenchen, James-Franck-Strasse, 85748 Garching (Germany); Hofstetter, M.; Kleineberg, U.; Krausz, F. [Max-Planck-Institut fuer Quantenoptik, Hans-Kopfermann-Strasse 1, 85748 Garching (Germany); Ludwig-Maximilians-Universitaet Muenchen, Fakultaet fuer Physik, Am Coulombwall 1, 85748 Garching (Germany)

    2011-06-15

    We describe an apparatus for attosecond photoelectron spectroscopy of solids and surfaces, which combines the generation of isolated attosecond extreme-ultraviolet (XUV) laser pulses by high harmonic generation in gases with time-resolved photoelectron detection and surface science techniques in an ultrahigh vacuum environment. This versatile setup provides isolated attosecond pulses with photon energies of up to 140 eV and few-cycle near infrared pulses for studying ultrafast electron dynamics in a large variety of surfaces and interfaces. The samples can be prepared and characterized on an atomic scale in a dedicated flexible surface science end station. The extensive possibilities offered by this apparatus are demonstrated by applying attosecond XUV pulses with a central photon energy of {approx}125 eV in an attosecond streaking experiment of a xenon multilayer grown on a Re(0001) substrate.

  12. Imaging plasmonic fields near gold nanospheres in attosecond time-resolved streaked photoelectron spectra

    Science.gov (United States)

    Li, Jianxiong; Thumm, Uwe

    2016-05-01

    To study time-resolved photoemission from gold nanospheres, we introduce a quantum-mechanical approach, including the plasmonic near-field-enhancement of the streaking field at the surface of the nanosphere. We use Mie theory to calculate the plasmonically enhanced fields near 10 to 200 nm gold nanospheres, driven by incident near infrared (NIR) or visible laser pulses. We model the gold conduction band in terms of a spherical square well potential. Our simulated streaked photoelectron spectra reveal a plasmonic amplitude enhancement and phase shift related to calculations that exclude the induced plasmonic field. The phase shift is due to the plasma resonance. This suggests the use of streaked photoelectron spectroscopy for imaging the dielectric response and plasmonic field near nanoparticles. Supported by the NSD-EPSCoR program, NSF, and the USDoE.

  13. Electronic spectra of radical cations and their correlation with photoelectron spectra—III. Perylenes and coronenes

    Science.gov (United States)

    Khan, Zahid H.

    Radical cations of perylene, 1,12-benzoperylene, coronene, 1,2-benzocoronene, and naphtho-(2',3':1,2)coronene are produced by photooxidation in boric acid matrix and their electronic absorption spectra are measured. The results are discussed in terms of Longuet-Higgins-Pople and Wasilewski type Open-Shell SCF-MO calculations and the u.v. photoelectron spectra of the parent molecules. The correspondence between optical and photoelectron spectra is found to be fairly good. A correlation diagram for the electronic transitions for some of the molecular ions is presented to demonstrate their movement from one system to another. Finally, an expression showing the relationship between the first ionization potentials of the parent molecules and A-type electronic band energies in the cation spectra is given from which the first IP's of the hydrocarbons may be estimated.

  14. Bulk locality and boundary creating operators

    Science.gov (United States)

    Nakayama, Yu; Ooguri, Hirosi

    2015-10-01

    We formulate a minimum requirement for CFT operators to be localized in the dual AdS. In any spacetime dimensions, we show that a general solution to the requirement is a linear superposition of operators creating spherical boundaries in CFT, with the dilatation by the imaginary unit from their centers. This generalizes the recent proposal by Miyaji et al. for bulk local operators in the three dimensional AdS. We show that Ishibashi states for the global conformal symmetry in any dimensions and with the imaginary di-latation obey free field equations in AdS and that incorporating bulk interactions require their superpositions. We also comment on the recent proposals by Kabat et al., and by H. Verlinde.

  15. Bulk Locality and Boundary Creating Operators

    CERN Document Server

    Nakayama, Yu

    2015-01-01

    We formulate a minimum requirement for CFT operators to be localized in the dual AdS. In any spacetime dimensions, we show that a general solution to the requirement is a linear superposition of operators creating spherical boundaries in CFT, with the dilatation by the imaginary unit from their centers. This generalizes the recent proposal by Miyaji et al. for bulk local operators in the three dimensional AdS. We show that Ishibashi states for the global conformal symmetry in any dimensions and with the imaginary dilatation obey free field equations in AdS and that incorporating bulk interactions require their superpositions. We also comment on the recent proposals by Kabat et al., and by H. Verlinde.

  16. Bulk locality and boundary creating operators

    Energy Technology Data Exchange (ETDEWEB)

    Nakayama, Yu [Walter Burke Institute for Theoretical Physics, California Institute of Technology, Pasadena, California 91125 (United States); Ooguri, Hirosi [Walter Burke Institute for Theoretical Physics, California Institute of Technology, Pasadena, California 91125 (United States); Kavli Institute for the Physics and Mathematics of the Universe, University of Tokyo, 5-1-5 Kashiwanoha, Kashiwa, Chiba 277-8583 (Japan)

    2015-10-19

    We formulate a minimum requirement for CFT operators to be localized in the dual AdS. In any spacetime dimensions, we show that a general solution to the requirement is a linear superposition of operators creating spherical boundaries in CFT, with the dilatation by the imaginary unit from their centers. This generalizes the recent proposal by Miyaji et al. for bulk local operators in the three dimensional AdS. We show that Ishibashi states for the global conformal symmetry in any dimensions and with the imaginary dilatation obey free field equations in AdS and that incorporating bulk interactions require their superpositions. We also comment on the recent proposals by Kabat et al., and by H. Verlinde.

  17. Bulk and shear viscosity in Hagedorn fluid

    Energy Technology Data Exchange (ETDEWEB)

    Tawfik, A.; Wahba, M. [Egyptian Center for Theoretical Physics (ECTP), MTI University, Faculty of Engineering, Cairo (Egypt)

    2010-11-15

    Assuming that the Hagedorn fluid composed of known particles and resonances with masses m <2 GeV obeys the first-order theory (Eckart) of relativistic fluid, we discuss the transport properties of QCD confined phase. Based on the relativistic kinetic theory formulated under the relaxation time approximation, expressions for bulk and shear viscosity in thermal medium of hadron resonances are derived. The relaxation time in the Hagedorn dynamical fluid exclusively takes into account the decay and eventually van der Waals processes. We comment on the in-medium thermal effects on bulk and shear viscosity and averaged relaxation time with and without the excluded-volume approach. As an application of these results, we suggest the dynamics of heavy-ion collisions, non-equilibrium thermodynamics and the cosmological models, which require thermo- and hydro-dynamics equations of state. (Abstract Copyright [2010], Wiley Periodicals, Inc.)

  18. Bulk and Shear Viscosity in Hagedorn Fluid

    CERN Document Server

    Tawfik, A

    2010-01-01

    Assuming that the Hagedorn fluid composed of known particles and resonances with masses $m<2\\,$GeV obeys the {\\it first-order} theory (Eckart) of relativistic fluid, we discuss the transport properties of QCD confined phase. Based on the relativistic kinetic theory formulated under the relaxation time approximation, expressions for bulk and shear viscosity in thermal medium are derived. The relaxation time in the Hagedorn dynamical fluid exclusively takes into account the decay and eventually van der Waals processes. We comment on the {\\it in-medium} thermal effects on bulk and shear viscosities and averaged relaxation time with and without the excluded-volume approach. As an application of these results, we suggest the dynamics of heavy-ion collisions, non-equlibrium thermodynamics and the cosmological models, which require thermo and hydrodynamics equations of state.

  19. Portable design rules for bulk CMOS

    Science.gov (United States)

    Griswold, T. W.

    1982-01-01

    It is pointed out that for the past several years, one school of IC designers has used a simplified set of nMOS geometric design rules (GDR) which is 'portable', in that it can be used by many different nMOS manufacturers. The present investigation is concerned with a preliminary set of design rules for bulk CMOS which has been verified for simple test structures. The GDR are defined in terms of Caltech Intermediate Form (CIF), which is a geometry-description language that defines simple geometrical objects in layers. The layers are abstractions of physical mask layers. The design rules do not presume the existence of any particular design methodology. Attention is given to p-well and n-well CMOS processes, bulk CMOS and CMOS-SOS, CMOS geometric rules, and a description of the advantages of CMOS technology.

  20. Fully antisymmetrised dynamics for bulk fermion systems

    CERN Document Server

    Vantournhout, Klaas

    2011-01-01

    The neutron star's crust and mantel are typical examples of non-uniform bulk systems with spacial localisations. When modelling such systems at low temperatures, as is the case in the crust, one has to work with antisymmetrised many-body states to get the correct fermion behaviour. Fermionic molecular dynamics, which works with an antisymmetrised product of localised wave packets, should be an appropriate choice. Implementing periodic boundary conditions into the fermionic molecular dynamics formalism would allow the study of the neutron star's crust as a bulk quantum system. Unfortunately, the antisymmetrisation is a non-local entanglement which reaches far out of the periodically repeated unit cell. In this proceeding, we give a brief overview how periodic boundary conditions and fermionic molecular dynamics can be combined without truncating the long-range many-body correlation induced by the antisymmetry of the many-body state.

  1. Large bulk Micromegas detectors for TPC applications

    CERN Document Server

    Anvar, S; Boyer, M; Beucher, J; Calvet, D; Colas, P; De La Broise, X; Delagnes, E; Delbart, A; Druillole, F; Emery, S; Giganti, C; Giomataris, I; Mazzucato, E; Monmarthe, E; Nizery, F; Pierre, F; Ritou, J L; Sarrat, A; Zito, M; Catanesi, M G; Radicioni, E; De Oliveira, R; Blondel, A; Di Marco, M; Ferrere, D; Perrin, E; Ravonel, M; Jover, G; Lux, T; Rodriguez, A Y; Sanchez, F; Cervera, A; Hansen, C; Monfregola, L

    2009-01-01

    A large volume TPC will be used in the near future in a variety of experiments including T2K. The bulk Micromegas detector for this TPC is built using a novel production technique particularly suited for compact, thin and robust low mass detectors. The capability to pave a large surface with a simple mounting solution and small dead space is of particular interest for these applications. We have built several large bulk Micromegas detectors () and we have tested one in the former HARP field cage with a magnetic field. Prototypes cards of the T2K front end electronics, based on the AFTER ASIC chip, have been used in this TPC test for the first time. Cosmic ray data have been acquired in a variety of experimental conditions. Good detector performances, space point resolution and energy loss measurement have been achieved.

  2. Bulk micromegas detectors for large TPC applications

    CERN Document Server

    Bouchez, J; Cavata, Ch; Colas, P; De La Broise, X; Delbart, A; Giganon, Arnaud; Giomataris, Ioanis; Graffin, P; Mols, J Ph; Pierre, F; Ritou, J L; Sarrat, A; Virique, E; Zito, M; Radicioni, E; De Oliveira, R; Dumarchez, J; Abgrall, N; Bene, P; Blondel, A; Cervera-Villanueva, Anselmo; Ferrère, D; Maschiocchi, F; Perrin, E; Richeux, J P; Schroeter, R; Jover, G; Lux,; Rodriguez, A Y; Sánchez, F

    2007-01-01

    A large volume TPC will be used in the near future in a variety of experiments including T2K. The bulk Micromegas detector for this TPC is built using a novel production technique particularly suited for compact and robust low mass detectors. The capability to pave a large surface with a simple mounting solution and small dead space between modules is of particular interest for these applications. We have built several large bulk Micromegas detectors and we have tested them in the former HARP field cage setup with a magnetic field. Cosmic ray data have been acquired in a variety of experimental conditions. Good detector performances and space point resolution have been achieved.

  3. Effective pure states for bulk quantum computation

    Energy Technology Data Exchange (ETDEWEB)

    Knill, E.; Chuang, I.; Laflamme, R.

    1997-11-01

    In bulk quantum computation one can manipulate a large number of indistinguishable quantum computers by parallel unitary operations and measure expectation values of certain observables with limited sensitivity. The initial state of each computer in the ensemble is known but not pure. Methods for obtaining effective pure input states by a series of manipulations have been described by Gershenfeld and Chuang (logical labeling) and Corey et al. (spatial averaging) for the case of quantum computation with nuclear magnetic resonance. We give a different technique called temporal averaging. This method is based on classical randomization, requires no ancilla qubits and can be implemented in nuclear magnetic resonance without using gradient fields. We introduce several temporal averaging algorithms suitable for both high temperature and low temperature bulk quantum computing and analyze the signal to noise behavior of each.

  4. Modeling direct interband tunneling. I. Bulk semiconductors

    Energy Technology Data Exchange (ETDEWEB)

    Pan, Andrew, E-mail: pandrew@ucla.edu [Department of Electrical Engineering, University of California, Los Angeles, Los Angeles, California 90095 (United States); Chui, Chi On [Department of Electrical Engineering, University of California, Los Angeles, Los Angeles, California 90095 (United States); California NanoSystems Institute, University of California, Los Angeles, Los Angeles, California 90095 (United States)

    2014-08-07

    Interband tunneling is frequently studied using the semiclassical Kane model, despite uncertainty about its validity. Revisiting the physical basis of this formula, we find that it neglects coupling to other bands and underestimates transverse tunneling. As a result, significant errors can arise at low and high fields for small and large gap materials, respectively. We derive a simple multiband tunneling model to correct these defects analytically without arbitrary parameters. Through extensive comparison with band structure and quantum transport calculations for bulk InGaAs, InAs, and InSb, we probe the accuracy of the Kane and multiband formulas and establish the superiority of the latter. We also show that the nonlocal average electric field should be used when applying either of these models to nonuniform potentials. Our findings are important for efficient analysis and simulation of bulk semiconductor devices involving tunneling.

  5. Towards a reconstruction of general bulk metrics

    Science.gov (United States)

    Engelhardt, Netta; Horowitz, Gary T.

    2017-01-01

    We prove that the metric of a general holographic spacetime can be reconstructed (up to an overall conformal factor) from distinguished spatial slices—‘light-cone cuts’—of the conformal boundary. Our prescription is covariant and applies to bulk points in causal contact with the boundary. Furthermore, we describe a procedure for determining the light-cone cuts corresponding to bulk points in the causal wedge of the boundary in terms of the divergences of correlators in the dual field theory. Possible extensions for determining the conformal factor and including the cuts of points outside of the causal wedge are discussed. We also comment on implications for subregion/subregion duality.

  6. Metal reduction at bulk chemical filtration

    Science.gov (United States)

    Umeda, Toru; Daikoku, Shusaku; Tsuzuki, Shuichi; Murakami, Tetsuya

    2017-03-01

    OK73 thinner and cyclohexanone, both of which were spiked with metals were passed through Nylon 6,6 filter, varying flow rate, which include the conditions of both point-of-use and bulk filtrations. The influent and effluent metal concentrations were measured using ICP-MS for metal removal efficiency of the filtration. As a result, removal efficiency for some metals descended depending on the flow rate, while others maintained. Slower flow rate is recommended to maintain low metal concentration in bulk filtration based on the result. Metals in cyclohexanone were reduced at higher efficiency than in OK73 thinner, agrees with a metal removal model of hydrophilic adsorbent in organic solvent, evidenced in our previous paper. Further, metal reduction on 300 mm φ Si wafer after coating organic solvents with Nylon 6,6 filtration was evidenced with TREX analysis.

  7. Multilayer Integrated Film Bulk Acoustic Resonators

    CERN Document Server

    Zhang, Yafei

    2013-01-01

    Multilayer Integrated Film Bulk Acoustic Resonators mainly introduces the theory, design, fabrication technology and application of a recently developed new type of device, multilayer integrated film bulk acoustic resonators, at the micro and nano scale involving microelectronic devices, integrated circuits, optical devices, sensors and actuators, acoustic resonators, micro-nano manufacturing, multilayer integration, device theory and design principles, etc. These devices can work at very high frequencies by using the newly developed theory, design, and fabrication technology of nano and micro devices. Readers in fields of IC, electronic devices, sensors, materials, and films etc. will benefit from this book by learning the detailed fundamentals and potential applications of these advanced devices. Prof. Yafei Zhang is the director of the Ministry of Education’s Key Laboratory for Thin Films and Microfabrication Technology, PRC; Dr. Da Chen was a PhD student in Prof. Yafei Zhang’s research group.

  8. Microfabricated bulk wave acoustic bandgap device

    Science.gov (United States)

    Olsson, Roy H.; El-Kady, Ihab F.; McCormick, Frederick; Fleming, James G.; Fleming, Carol

    2010-06-08

    A microfabricated bulk wave acoustic bandgap device comprises a periodic two-dimensional array of scatterers embedded within the matrix material membrane, wherein the scatterer material has a density and/or elastic constant that is different than the matrix material and wherein the periodicity of the array causes destructive interference of the acoustic wave within an acoustic bandgap. The membrane can be suspended above a substrate by an air or vacuum gap to provide acoustic isolation from the substrate. The device can be fabricated using microelectromechanical systems (MEMS) technologies. Such microfabricated bulk wave phononic bandgap devices are useful for acoustic isolation in the ultrasonic, VHF, or UHF regime (i.e., frequencies of order 1 MHz to 10 GHz and higher, and lattice constants of order 100 .mu.m or less).

  9. Dissolution of bulk specimens of silicon nitride

    Science.gov (United States)

    Davis, W. F.; Merkle, E. J.

    1981-01-01

    An accurate chemical characterization of silicon nitride has become important in connection with current efforts to incorporate components of this material into advanced heat engines. However, there are problems concerning a chemical analysis of bulk silicon nitride. Current analytical methods require the pulverization of bulk specimens. A pulverization procedure making use of grinding media, on the other hand, will introduce contaminants. A description is given of a dissolution procedure which overcomes these difficulties. It has been found that up to at least 0.6 g solid pieces of various samples of hot pressed and reaction bonded silicon nitride can be decomposed in a mixture of 3 mL hydrofluoric acid and 1 mL nitric acid overnight at 150 C in a Parr bomb. High-purity silicon nitride is completely soluble in nitric acid after treatment in the bomb. Following decomposition, silicon and hydrofluoric acid are volatilized and insoluble fluorides are converted to a soluble form.

  10. Transition absorption as a mechanism of surface photoelectron emission from metals

    DEFF Research Database (Denmark)

    Zhukovsky, Sergei; Protsenko, Igor E.; Ikhsanov, Renat Sh;

    2015-01-01

    Transition absorption of a photon by an electron passingthrough a boundary between two media with different permit-tivities is described both classically and quantum mechani-cally. Transition absorption is shown to make a substantialcontribution to photoelectron emission at a metal/semicon-ductor....../semicon-ductor interface in nanoplasmonic systems, and is put forth asa possible microscopic mechanism of the surface photoelec-tric effect in photodetectors and solar cells containing plas-monic nanoparticles....

  11. High Resolution Velocity Map Imaging Photoelectron Spectroscopy of the Beryllium Oxide Anion, BeO-

    Science.gov (United States)

    Dermer, Amanda Reed; Mascaritolo, Kyle; Heaven, Michael

    2016-06-01

    The photodetachment spectrum of BeO- has been studied using high resolution velocity map imaging photoelectron spectroscopy. The vibrational contours were imaged and compared with Franck-Condon simulations for the ground and excited states of the neutral. The electron affinity of BeO was measured for the first time, and anisotropies of several transitions were determined. Experimental findings are compared to high level ab initio calculations.

  12. Enhanced quantum efficiency of photoelectron emission, through surface textured metal electrodes

    Energy Technology Data Exchange (ETDEWEB)

    Alexander, Anna; Bandaru, Prabhakar R., E-mail: pbandaru@ucsd.edu [Program in Materials Science, Department of Mechanical Engineering, University of California, San Diego, La Jolla, California, 92130 (United States); Moody, Nathan A. [Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States)

    2016-03-15

    It is predicted that the quantum efficiency (QE) of photoelectron emission from metals may be enhanced, possibly by an order of magnitude, through optimized surface texture. Through extensive computational simulations, it is shown that the absorption enhancement in select surface groove geometries may be a dominant contributor to enhanced QE and corresponds to localized Fabry–Perot resonances. The inadequacy of extant analytical models in predicting the QE increase, and suggestions for further improvement, are discussed.

  13. INFRARED and PHOTOELECTRON SPECTROSCOPIC STUDY OF S02 OXIDATION ON SOOT PARTICLES

    Energy Technology Data Exchange (ETDEWEB)

    Chang, S.G.; Novakov, T.

    1975-12-01

    Results obtained by means of x-ray photoelectron spectroscopy and internal reflection infrared spectroscopy demonstrate the feasibility of heterogeneous oxidation of sulfur dioxide on soot particles in air. Sulfuric acid formed in this process can be neutralized on basic surface sites of soot particles, resulting in the formation of carbonium and/or oxonium sulfate. Hydrolysis of these salts into cyclic hemiacetals and sulfuric acid is expected.

  14. INFRARED and PHOTOELECTRON SPECTROSCOPIC STUDY OF S02 OXIDATION ON SOOT PARTICLES

    Energy Technology Data Exchange (ETDEWEB)

    Chang, S.G.; Novakov, T.

    1975-12-01

    Results obtained by means of x-ray photoelectron spectroscopy and internal reflection infrared spectroscopy demonstrate the feasibility of heterogeneous oxidation of sulfur dioxide on soot particles in air. Sulfuric acid formed in this process can be neutralized on basic surface sites of soot particles, resulting in the formation of carbonium and/or oxonium sulfate. Hydrolysis of these salts into cyclic hemiacetals and sulfuric acid is expected.

  15. An instrument for the investigation of actinides with spin resolved photoelectron spectroscopy and bremsstrahlung isochromat spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Yu, S.-W. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Tobin, J. G. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Chung, B. W. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2011-01-01

    A new system for spin resolved photoelectron spectroscopy and bremsstrahlung isochromat spectroscopy has been built and commissioned at Lawrence Livermore National Laboratory for the investigation of the electronic structure of the actinides.Actinide materials are very toxic and radioactive and therefore cannot be brought to most general user facilities for spectroscopic studies. The technical details of the new system and preliminary data obtained therein will be presented and discussed.

  16. Coincidence and covariance data acquisition in photoelectron and -ion spectroscopy. I. Formal theory

    Science.gov (United States)

    Mikosch, Jochen; Patchkovskii, Serguei

    2013-10-01

    We derive a formal theory of noisy Poisson processes with multiple outcomes. We obtain simple, compact expressions for the probability distribution function of arbitrarily complex composite events and its moments. We illustrate the utility of the theory by analyzing properties of coincidence and covariance photoelectron-photoion detection involving single-ionization events. The results and techniques introduced in this work are directly applicable to more general coincidence and covariance experiments, including multiple ionization and multiple-ion fragmentation pathways.

  17. Measurement of actinides in environmental samples by Photo-Electron Rejecting Alpha Liquid Scintillation

    Energy Technology Data Exchange (ETDEWEB)

    Cadieux, J.R. [Westinghouse Savannah River Co., Aiken, SC (United States); Clark, S. [Savannah River Ecology Lab., Univ. of Georgia (United States); Fjeld, R.A.; Reboul, S.; Sowder, A. [Clemson Univ., SC (United States). Dept. of Environmental Systems Engineering

    1994-05-01

    This work describes the adaptation of extractive scintillation with a Photo-Electron Rejecting Alpha Liquid Scintillation (PERALS) (ORDELA, Inc.) spectrometer to the analysis of actinides in environmental samples from the Savannah River Site (SRS). Environmental quality assurance standards and actual water samples were treated by one of two methods; either a two step direct extraction, or for more complex samples, pretreatment by an extraction chromatographic separation prior to measurement of the alpha activity by PERALS.

  18. Transition absorption as a mechanism of surface photoelectron emission from metals

    DEFF Research Database (Denmark)

    Zhukovsky, Sergei; Protsenko, Igor E.; Ikhsanov, Renat Sh

    2015-01-01

    Transition absorption of a photon by an electron passingthrough a boundary between two media with different permit-tivities is described both classically and quantum mechani-cally. Transition absorption is shown to make a substantialcontribution to photoelectron emission at a metal....../semicon-ductor interface in nanoplasmonic systems, and is put forth asa possible microscopic mechanism of the surface photoelec-tric effect in photodetectors and solar cells containing plas-monic nanoparticles....

  19. Study on Surface and Bulk Properties of Ce-5 % Lanthanum Alloy

    Institute of Scientific and Technical Information of China (English)

    Luo Lizhu; Wang Xiaolin; Fu Xiaoguo; Zhang Yanzhi; Zhao Zhengping; Liu Chunrong

    2004-01-01

    The surface and bulk properties of Ce-5% La were studied with X-ray photoelectron spectroscopy (XPS)and X-ray diffraction (XRD), respectively.The XRD analysis shows that cerium in bulk is in γ-phase, and its lattice parameter is 0.516 nm.And we also find Ce2O3 in the bulk from the XRD figure but no existence of metal lanthanum because of its small quantity.The XPS analysis shows that there are always oxides existing in the surface.The O1s peak always exists at the binding energy of 530.3 eV, which may be attributed to Ce2O3 and La2O3, but no evidence was found for the existence of CeO2.It is concluded that there is a thick layer of Ce2O3 on the sample surface.And the Ce3d peak show multi-split in the figure, in which there are two peaks in each region, 3d5/2 and 3d3/2, and the binding energy of these peaks are 882.86, 887.70 eV for 3d5/2, and 901.44, 905.93 eV for 3d3/2.The special phenomena can be attributed to the changes of 4f electronic configuration, and the cerium in the sample exhibits properties similar to Ce2O3.But the influence of the addition of lanthanum to cerium is not visible, and further investigations are expected.

  20. Raman characterization of bulk ferromagnetic nanostructured graphite

    Energy Technology Data Exchange (ETDEWEB)

    Pardo, Helena, E-mail: hpardo@fq.edu.uy [Centro NanoMat, Polo Tecnologico de Pando, Facultad de Quimica, Universidad de la Republica, Cno. Aparicio Saravia s/n, 91000, Pando, Canelones (Uruguay); Crystallography, Solid State and Materials Laboratory (Cryssmat-Lab), DETEMA, Facultad de Quimica, Universidad de la Republica, Gral. Flores 2124, P.O. Box 1157, Montevideo (Uruguay); Divine Khan, Ngwashi [Mantfort University, Leicester (United Kingdom); Faccio, Ricardo [Centro NanoMat, Polo Tecnologico de Pando, Facultad de Quimica, Universidad de la Republica, Cno. Aparicio Saravia s/n, 91000, Pando, Canelones (Uruguay); Crystallography, Solid State and Materials Laboratory (Cryssmat-Lab), DETEMA, Facultad de Quimica, Universidad de la Republica, Gral. Flores 2124, P.O. Box 1157, Montevideo (Uruguay); Araujo-Moreira, F.M. [Grupo de Materiais e Dispositivos-CMDMC, Departamento de Fisica e Engenharia Fisica, UFSCar, Caixa Postal 676, 13565-905, Sao Carlos SP (Brazil); Fernandez-Werner, Luciana [Centro NanoMat, Polo Tecnologico de Pando, Facultad de Quimica, Universidad de la Republica, Cno. Aparicio Saravia s/n, 91000, Pando, Canelones (Uruguay); Crystallography, Solid State and Materials Laboratory (Cryssmat-Lab), DETEMA, Facultad de Quimica, Universidad de la Republica, Gral. Flores 2124, P.O. Box 1157, Montevideo (Uruguay)

    2012-08-15

    Raman spectroscopy was used to characterize bulk ferromagnetic graphite samples prepared by controlled oxidation of commercial pristine graphite powder. The G:D band intensity ratio, the shape and position of the 2D band and the presence of a band around 2950 cm{sup -1} showed a high degree of disorder in the modified graphite sample, with a significant presence of exposed edges of graphitic planes as well as a high degree of attached hydrogen atoms.

  1. On bulk viscosity and moduli decay

    OpenAIRE

    M. Laine

    2010-01-01

    This pedagogically intended lecture, one of four under the header "Basics of thermal QCD", reviews an interesting relationship, originally pointed out by Bodeker, that exists between the bulk viscosity of Yang-Mills theory (of possible relevance to the hydrodynamics of heavy ion collision experiments) and the decay rate of scalar fields coupled very weakly to a heat bath (appearing in some particle physics inspired cosmological scenarios). This topic serves, furthermore, as a platform on whic...

  2. Depleted bulk heterojunction colloidal quantum dot photovoltaics

    Energy Technology Data Exchange (ETDEWEB)

    Barkhouse, D.A.R. [Department of Electrical and Computer Engineering, University of Toronto, 10 King' s College Road, Toronto, Ontario M5S 3G4 (Canada); IBM Thomas J. Watson Research Center, Kitchawan Road, Yorktown Heights, NY, 10598 (United States); Debnath, Ratan; Kramer, Illan J.; Zhitomirsky, David; Levina, Larissa; Sargent, Edward H. [Department of Electrical and Computer Engineering, University of Toronto, 10 King' s College Road, Toronto, Ontario M5S 3G4 (Canada); Pattantyus-Abraham, Andras G. [Department of Electrical and Computer Engineering, University of Toronto, 10 King' s College Road, Toronto, Ontario M5S 3G4 (Canada); Quantum Solar Power Corporation, 1055 W. Hastings, Ste. 300, Vancouver, BC, V6E 2E9 (Canada); Etgar, Lioz; Graetzel, Michael [Laboratory for Photonics and Interfaces, Institute of Chemical Sciences and Engineering, School of Basic Sciences, Swiss Federal Institute of Technology, CH-1015 Lausanne (Switzerland)

    2011-07-26

    The first solution-processed depleted bulk heterojunction colloidal quantum dot solar cells are presented. The architecture allows for high absorption with full depletion, thereby breaking the photon absorption/carrier extraction compromise inherent in planar devices. A record power conversion of 5.5% under simulated AM 1.5 illumination conditions is reported. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  3. Depleted Bulk Heterojunction Colloidal Quantum Dot Photovoltaics

    KAUST Repository

    Barkhouse, D. Aaron R.

    2011-05-26

    The first solution-processed depleted bulk heterojunction colloidal quantum dot solar cells are presented. The architecture allows for high absorption with full depletion, thereby breaking the photon absorption/carrier extraction compromise inherent in planar devices. A record power conversion of 5.5% under simulated AM 1.5 illumination conditions is reported. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. Effects of bulk viscosity on cosmological evolution

    CERN Document Server

    Pimentel, L O; Pimentel, L O; Diaz-Rivera, L M

    1994-01-01

    Abstract:The effect of bulk viscisity on the evolution of the homogeneous and isotropic cosmological models is considered. Solutions are found, with a barotropic equation of state, and a viscosity coefficient that is proportional to a power of the energy density of the universe. For flat space, power law expansions, related to extended inflation are found as well as exponential solutions, related to old inflation; also a solution with expansion that is an exponential of an exponential of the time is found.

  5. Modeling of Microimprinting of Bulk Metallic Glasses

    Institute of Scientific and Technical Information of China (English)

    Ming CHENG; John A. Wert

    2006-01-01

    A finite element analysis (FEA) model has been developed to analyze microimprinting of bulk metallic glasses (BMG) near the glass transition temperature (Tg). The results reveal an approximately universal imprinting response for BMG, independent of surface feature length scale. The scale-independent nature of BMG imprinting derives from the flow characteristics of BMG in the temperature range above Tg. It also shows that the lubrication condition has a mild influence on BMG imprinting in the temperature range above Tg.

  6. A novel microwave absorption and dielectric spectrum detection technology in photoelectron dynamic study for solar cells

    Institute of Scientific and Technical Information of China (English)

    LI Xiaowei; SUN Shuxu; LAI Weidong; ZHANG Rongxiang; DAI Xiuhong; JIANG Xiaoli

    2006-01-01

    The photoelectron property is directly related to the light-energy conversion efficiency of solar cells. In this paper, the photoelectron dynamic of semiconductor was analyzed. The diffusion of electrons has influence on the dielectric function of the solar cell material. And the amplitude variance of the imaginary andreal part of the dielectric function is in direct proportion to the dynamic process of free and shallow-trapped electrons. Based on the untouched detection technique, the method is present to detect the amplitude change of the microwave signal which is passing through the material whose dielectric function changes after exposure. A35GHz oscillator was used as a microwave source. The absorptionand dispersion microwave signals, which contain the dynamic information of free and shallow-trapped electron signal, are split respectively with phase-sensitive instrument. The photoelectron character of n-type Si(100) thin film was investigated by the novel equipment, and the lifetime of different kinds of electronswith the resolution of 1 ns was obtained. The equipment can be directly used inthe study of the optoelectronic conversion mechanism of solar cells.

  7. Data-Model Comparisons of Photoelectron Flux Intensities on the Strong Crustal Field Lines at Mars

    Science.gov (United States)

    Liemohn, Michael; Trantham, Matthew; Mitchell, David

    2010-05-01

    This study quantifies the factors controlling photoelectron fluxes on strong crustal field lines in the Martian ionosphere. Using data from Mars Global Surveyor's Magnetometer and Electron Reflectometer instruments, dayside electron populations near the strong crustal fields in the southern hemisphere are analyzed versus various controlling parameters. These parameters include a Mars F10.7 proxy, a solar wind pressure proxy, local solar zenith angle, magnetic elevation angle, magnetic field strength. It was found that solar EUV radiation (corrected for solar zenith angle and the Mars-Sun distance) has the strongest influence on the photoelectron fluxes, and during different time periods this radiation has a stronger influence than at others times. Second, fluxes show a slight enhancement when the magnetic elevation angle is near zero degrees (horizontal field lines). Finally, other parameters, such as pressure and magnetic field strength, seem to have no major influence. These measurement-based results are then compared against numerical modeling flux intensities to quantify the physical mechanisms behind the observed relationships. The numerical code used for this study is our superthermal electron transport model, which solves for the electric distribution function along a magnetic field line. The code includes the influence of a variable magnetic field strength, pitch angle scattering and mirror trapping, and collisional energy cascading. The influence of solar EUV flux, atmospheric composition, solar wind dynamic pressure, and the local magnetic field are systematically investigated with this code to understand why some of these parameters have a strong influence on photoelectron flux intensity while others do not.

  8. High-resolution photoelectron spectra of the pyrimidine-type nucleobases.

    Science.gov (United States)

    Fulfer, K D; Hardy, D; Aguilar, A A; Poliakoff, E D

    2015-06-14

    High-resolution photoelectron spectra of the gas phase pyrimidine-type nucleobases, thymine, uracil, and cytosine, were collected using synchrotron radiation over the photon energy range 17 ≤ hν ≤ 150 eV. These data provide the highest resolution photoelectron spectra of thymine, uracil, and cytosine published to date. By comparing integrated regions of the energy dependent photoelectron spectra of thymine, the ionization potentials of the first four ionic states of thymine were estimated to be 8.8, 9.8, 10.3, and 10.8 eV. The thymine data also show evidence for low energy shape resonances in three of the outermost valence electronic states. Comparing the uracil spectrum with the thymine spectrum, the four outermost valence electronic states of uracil likely begin at binding energies 9.3, 9.9, 10.5, and 11.0 eV. High-resolution spectra indicate only one tautomeric form of cytosine contributes significantly to the spectrum with the four outermost valence electronic states beginning at binding energies 8.9, 9.9, 10.4, and 10.85 eV.

  9. High-resolution photoelectron spectra of the pyrimidine-type nucleobases

    Energy Technology Data Exchange (ETDEWEB)

    Fulfer, K. D.; Hardy, D.; Poliakoff, E. D., E-mail: epoliak@lsu.edu [Department of Chemistry, Louisiana State University, Baton Rouge, Louisiana 70803 (United States); Aguilar, A. A. [Advanced Light Source, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States)

    2015-06-14

    High-resolution photoelectron spectra of the gas phase pyrimidine-type nucleobases, thymine, uracil, and cytosine, were collected using synchrotron radiation over the photon energy range 17 ≤ hν ≤ 150 eV. These data provide the highest resolution photoelectron spectra of thymine, uracil, and cytosine published to date. By comparing integrated regions of the energy dependent photoelectron spectra of thymine, the ionization potentials of the first four ionic states of thymine were estimated to be 8.8, 9.8, 10.3, and 10.8 eV. The thymine data also show evidence for low energy shape resonances in three of the outermost valence electronic states. Comparing the uracil spectrum with the thymine spectrum, the four outermost valence electronic states of uracil likely begin at binding energies 9.3, 9.9, 10.5, and 11.0 eV. High-resolution spectra indicate only one tautomeric form of cytosine contributes significantly to the spectrum with the four outermost valence electronic states beginning at binding energies 8.9, 9.9, 10.4, and 10.85 eV.

  10. Photoelectron track length distributions measured in a negative ion time projection chamber

    CERN Document Server

    Prieskorn, Z R; Kaaret, P E; Black, J K

    2014-01-01

    We report photoelectron track length distributions between 3 and 8 keV in gas mixtures of Ne+CO2+CH3NO2 (260:80:10 Torr) and CO2+CH3NO2 (197.5: 15 Torr). The measurements were made using a negative ion time projection chamber (NITPC) at the National Synchrotron Light Source (NSLS) at the Brookhaven National Laboratory (BNL). We report the first quantitative analysis of photoelectron track length distributions in a gas. The distribution of track lengths at a given energy is best fit by a lognormal distribution. A powerlaw distribution of the form, f(E)=a(E/Eo)n, is found to fit the relationship between mean track length and energy. We find n=1.29 +/- 0.07 for Ne+CO2+CH3NO2 and n=1.20 +/- 0.09 for CO2+CH3NO2. Understanding the distribution of photoelectron track lengths in proportional counter gases is important for optimizing the pixel size and the dimensions of the active region in electron-drift time projection chambers (TPCs) and NITPC X-ray polarimeters.

  11. Study of selected benzyl azides by UV photoelectron spectroscopy and mass spectrometry

    Science.gov (United States)

    Pinto, R. M.; Olariu, R. I.; Lameiras, J.; Martins, F. T.; Dias, A. A.; Langley, G. J.; Rodrigues, P.; Maycock, C. D.; Santos, J. P.; Duarte, M. F.; Fernandez, M. T.; Costa, M. L.

    2010-09-01

    Benzyl azide and the three methylbenzyl azides were synthesized and characterized by mass spectrometry (MS) and ultraviolet photoelectron spectroscopy (UVPES). The electron ionization fragmentation mechanisms for benzyl azide and their methyl derivatives were studied by accurate mass measurements and linked scans at constant B/ E. For benzyl azide, in order to clarify the fragmentation mechanism, labelling experiments were performed. From the mass analysis of methylbenzyl azides isomers it was possible to differentiate the isomers ortho, meta and para. The abundance and nature of the ions resulting from the molecular ion fragmentation, for the three distinct isomers of substituted benzyl azides, were rationalized in terms of the electronic properties of the substituent. Concerning the para-isomer, IRC calculations were performed at UHF/6-31G(d) level. The photoionization study of benzyl azide, with He(I) radiation, revealed five bands in the 8-21 eV ionization energies region. From every photoelectron spectrum of methylbenzyl azides isomers it has been identified seven bands, on the same range as the benzyl azide. Interpretation of the photoelectron spectra was accomplished applying Koopmans' theorem to the SCF orbital energies obtained at HF/6-311++G(d, p) level.

  12. Two-dimensional, single-photoelectron drift detector for Cherenkov ring imaging

    Energy Technology Data Exchange (ETDEWEB)

    Barrelet, E.; Seguinot, J.; Urban, M.; Ypsilantis, T. (Ecole Polytechnique, 91 - Palaiseau (France)); Ekeloef, T. (European Organization for Nuclear Research, Geneva (Switzerland)); Lund-Jensen, B. (Uppsala Univ. (Sweden)); Tocqueville, J. (College de France, 75 - Paris)

    1982-09-15

    A detector capable of imaging single photoelectrons has been constructed and tested. UV photons (>=5.4 eV) are converted to electrons with high quantum efficiency by photoionization of a small admixture (approx. equal to 1 Torr) of an organic vapour TMAE in a predominantly methane drift and amplifying gas at atmospheric pressure. The produced photoelectrons drift in a uniform applied electric field to a picket fence of proportional wires where each electron is amplified, counted and timed. The two-dimensional source point of each photoelectron is uniquely determined by the hit wire address and the arrival time. The detector has been tested by measuring ionization electrons produced in the drift gas be relativistic charged particles. The limiting precision to which the electron source point can be determined has been measured to be 300 ..mu..m (r.m.s.) in the drift direction and 370 ..mu..m in the wire plane direction. Additional independent error sources due to electron diffusion in the drift gas have been measured to be proportional to the square root of the drift distance with a proportionality constant of 235 ..mu..m/cmsup(1/2) in both directions. Drift velocities of electrons in various predominantly methane gas mixtures have been measured as a function of the applied electric field. The utilization of such a two-dimensional single electron drift detector for Cherenkov ring imaging is presented with a discussion of the advantages and limitations of the drift method for imaging.

  13. Model independent approach to the single photoelectron calibration of photomultiplier tubes

    Energy Technology Data Exchange (ETDEWEB)

    Saldanha, R.; Grandi, L.; Guardincerri, Y.; Wester, T.

    2017-08-01

    The accurate calibration of photomultiplier tubes is critical in a wide variety of applications in which it is necessary to know the absolute number of detected photons or precisely determine the resolution of the signal. Conventional calibration methods rely on fitting the photomultiplier response to a low intensity light source with analytical approximations to the single photoelectron distribution, often leading to biased estimates due to the inability to accurately model the full distribution, especially at low charge values. In this paper we present a simple statistical method to extract the relevant single photoelectron calibration parameters without making any assumptions about the underlying single photoelectron distribution. We illustrate the use of this method through the calibration of a Hamamatsu R11410 photomultiplier tube and study the accuracy and precision of the method using Monte Carlo simulations. The method is found to have significantly reduced bias compared to conventional methods and works under a wide range of light intensities, making it suitable for simultaneously calibrating large arrays of photomultiplier tubes.

  14. Photoelectron spectroscopy of liquid water, some alcohols, and pure nonane in free micro jets

    Science.gov (United States)

    Faubel, Manfred; Steiner, Björn; Toennies, J. Peter

    1997-06-01

    The recently developed technique of accessing volatile liquids in a high vacuum environment by using a very thin liquid jet is implemented to carry out the first measurements of photoelectron spectra of pure liquid water, methanol, ethanol, 1-propanol, 1-butanol, and benzyl alcohol as well as of liquid n-nonane. The apparatus, which consists of a commercial hemispherical (10 cm mean radius) electron analyzer and a hollow cathode discharge He I light source is described in detail and the problems of the sampling of the photoelectrons in such an environment are discussed. For water and most of the alcohols up to six different electronic bands could be resolved. The spectra of 1-butanol and n-nonane show two weakly discernable peaks from which the threshold ionization potential could be determined. A deconvolution of the photoelectron spectra is used to extract ionization potentials of individual molecular bands of molecules near the surface of the liquid and shifts of the order of 1 eV compared to the gas phase are observed. A molecular orientation for water molecules at the surface of liquid water is inferred from a comparison of the relative band strengths with the gas phase. Similar effects are also observed for some of the alcohols. The results are discussed in terms of a simple "Born-solvation" model.

  15. SAMI2-PE: A model of the ionosphere including multistream interhemispheric photoelectron transport

    Science.gov (United States)

    Varney, R. H.; Swartz, W. E.; Hysell, D. L.; Huba, J. D.

    2012-06-01

    In order to improve model comparisons with recently improved incoherent scatter radar measurements at the Jicamarca Radio Observatory we have added photoelectron transport and energy redistribution to the two dimensional SAMI2 ionospheric model. The photoelectron model uses multiple pitch angle bins, includes effects associated with curved magnetic field lines, and uses an energy degradation procedure which conserves energy on coarse, non-uniformly spaced energy grids. The photoelectron model generates secondary electron production rates and thermal electron heating rates which are then passed to the fluid equations in SAMI2. We then compare electron and ion temperatures and electron densities of this modified SAMI2 model with measurements of these parameters over a range of altitudes from 90 km to 1650 km (L = 1.26) over a 24 hour period. The new electron heating model is a significant improvement over the semi-empirical model used in SAMI2. The electron temperatures above the F-peak from the modified model qualitatively reproduce the shape of the measurements as functions of time and altitude and quantitatively agree with the measurements to within ˜30% or better during the entire day, including during the rapid temperature increase at dawn.

  16. High resolution photoelectron spectroscopy and femtosecond intramolecular dynamics of H2CCO + and D2CCO +

    Science.gov (United States)

    Niu, Baohua; Bai, Ying; Shirley, David A.

    1993-08-01

    High resolution helium Iα (584 Å) photoelectron spectra of H2CCO and D2CCO are reported. The present spectra of the ground states of ketene cations show more vibrational fine structure than previously reported. The adiabatic ionization energies (AIEs) of the cations' first, second, and fifth excited states are determined unambiguously. The doubletlike fine structures present in the first excited states of ketene cations imply the excitation of a ``soft'' mode that was not observed before. It was assigned to the ν5 mode, which is characterized by the CH2 (CD2) group out-of-plane wagging motion. The complexity of the photoelectron spectra obtained for the ionic first excited states is attributed to the possible dissociation and predissociation of this state. Strong isotope effects are observed in the vibronic (vibrational) couplings in most of the ionic states. Vibrational autocorrelation functions are calculated from the high-resolution photoelectron spectra for four of the six ionic states observed. The dynamics of the ground states of the cations are characterized by a wave packet oscillating with small amplitude around the minimum of the upper potential energy surfaces (PES). The decay dynamics of the ionic first and fifth excited states of ketene are characterized by ultrafast intramolecular processes such as dissociation and predissociation.

  17. Photoelectron emission as an alternative electron impact ionization source for ion trap mass spectrometry.

    Science.gov (United States)

    Gamez, Gerardo; Zhu, Liang; Schmitz, Thomas A; Zenobi, Renato

    2008-09-01

    Electron impact ionization has several known advantages; however, heated filament electron sources have pressure limitations and their power consumption can be significant for certain applications, such as in field-portable instruments. Herein, we evaluate a VUV krypton lamp as an alternative source for ionization inside the ion trap of a mass spectrometer. The observed fragmentation patterns are more characteristic of electron impact ionization than photoionization. In addition, mass spectra of analytes with ionization potentials higher than the lamp's photon energy (10.6 eV) can be easily obtained. A photoelectron impact ionization mechanism is suggested by the observed data allowed by the work function of the ion trap electrodes (4.5 eV), which is well within the lamp's photon energy. In this case, the photoelectrons emitted at the surface of the ion trap end-cap electrode are accelerated by the applied rf field to the ring electrode. This allows the photoelectrons to gain sufficient energy to ionize compounds with high ionization potentials to yield mass spectra characteristic of electron impact. In this manner, electron impact ionization can be used in ion trap mass spectrometers at low powers and without the limitations imposed by elevated pressures on heated filaments.

  18. X-ray photoelectron study of Si{sup +} ion implanted polymers

    Energy Technology Data Exchange (ETDEWEB)

    Tsvetkova, T; Balabanov, S; Bischoff, L; Krastev, V; Stefanov, P; Avramova, I, E-mail: tania_tsvetkova@yahoo.co.u

    2010-11-01

    X-ray photoelectron spectroscopy was used to characterize different polymer materials implanted with low energy Si{sup +} ions (E=30 keV, D= 1.10{sup 17} cm{sup -2}). Two kinds of polymers were studied - ultra-high-molecular-weight poly-ethylene (UHMWPE), and poly-methyl-methacrylate (PMMA). The non-implanted polymer materials show the expected variety of chemical bonds: carbon-carbon, carbon being three- and fourfold coordinated, and carbon-oxygen in the case of PMMA samples. The X-ray photoelectron and Raman spectra show that Si{sup +} ion implantation leads to the introduction of additional disorder in the polymer material. The X-ray photoelectron spectra of the implanted polymers show that, in addition to already mentioned bonds, silicon creates new bonds with the host elements - Si-C and Si-O, together with additional Si dangling bonds as revealed by the valence band study of the implanted polymer materials.

  19. Ultraviolet photoelectron spectroscopy of the valence bands of some Au alloys

    Energy Technology Data Exchange (ETDEWEB)

    Nicholson, J.A.; Riley, J.D.; Leckey, R.C.G.; Jenkin, J.G.; Liesegang, J.; Azoulay, J.

    1978-09-15

    Ultraviolet photoelectron spectra taken with 40.81-eV photons are presented for three series of Au alloys: AuGa, AuIn, and AuCd. The results are discussed with reference to similar work on a series of Ag alloys previously reported and are also compared with x-ray photoelectron spectroscopy data. The results are consistent with the previous work on Ag alloys in that the Au 5d doublet width and splitting are (i) independent of the secondary or alloying metal, and (ii) strongly dependent on the mean number of nearest Au neighbors. The behavior of the Au 5d bandwidth, as a function of Au concentration, as measured here using He II radiation, differs significantly from that measured previously using x-ray photoelectron spectroscopy. This difference cannot be attributed wholly to the difference in linewidth of the two-photon sources or to surface enrichment of the samples. The similar variations of the Ga, In, and Cd d bands as a function of Au concentration are discussed with reference to previous work on the alloys of AgIn and AgCd.

  20. Bulk viscous cosmology in early Universe

    Indian Academy of Sciences (India)

    C P Singh

    2008-07-01

    The effect of bulk viscosity on the early evolution of Universe for a spatially homogeneous and isotropic Robertson-Walker model is considered. Einstein's field equations are solved by using `gamma-law' equation of state = ( - 1)ρ, where the adiabatic parameter gamma () depends on the scale factor of the model. The `gamma' function is defined in such a way that it describes a unified solution of early evolution of the Universe for inflationary and radiation-dominated phases. The fluid has only bulk viscous term and the coefficient of bulk viscosity is taken to be proportional to some power function of the energy density. The complete general solutions have been given through three cases. For flat space, power-law as well as exponential solutions are found. The problem of how the introduction of viscosity affects the appearance of singularity, is briefly discussed in particular solutions. The deceleration parameter has a freedom to vary with the scale factor of the model, which describes the accelerating expansion of the Universe.

  1. Pseudo-Riemannian Universe from Euclidean bulk

    CERN Document Server

    Vasilić, Milovan

    2015-01-01

    I develop the idea that our world is a brane-like object embedded in Euclidean bulk. In its ground state, the brane constituent matter is assumed to be homogeneous and isotropic, and of negligible influence on the bulk geometry. No action functional is initially specified. Instead, the brane dynamics is derived from the universally valid stress-energy conservation equations. The present work studies the cosmology of a $3$-sphere in the $5$-dimensional Euclidean bulk. It is shown that the conventional equation of state $p=\\alpha\\rho$ is universal in the sector of small energy densities, and so is the resulting brane dynamics. The inequality $\\alpha<0$ is found to be a necessary condition for the existence of a stable ground state of the Universe. It is demonstrated that the generic braneworld physics rules out the Big Bang cosmology, and in that matter, any cosmology of finite lifetime. I also demonstrate that stable brane vibrations satisfy Klein-Gordon-like equation with an effective metric of Minkowski s...

  2. Molecular imprinting of bulk, microporous silica

    Science.gov (United States)

    Katz, Alexander; Davis, Mark E.

    2000-01-01

    Molecular imprinting aims to create solid materials containing chemical functionalities that are spatially organized by covalent or non-covalent interactions with imprint (or template) molecules during the synthesis process. Subsequent removal of the imprint molecules leaves behind designed sites for the recognition of small molecules, making the material ideally suited for applications such as separations, chemical sensing and catalysis. Until now, the molecular imprinting of bulk polymers and polymer and silica surfaces has been reported, but the extension of these methods to a wider range of materials remains problematic. For example, the formation of substrate-specific cavities within bulk silica, while conceptually straightforward, has been difficult to accomplish experimentally. Here we describe the imprinting of bulk amorphous silicas with single aromatic rings carrying up to three 3-aminopropyltriethoxysilane side groups; this generates and occupies microporosity and attaches functional organic groups to the pore walls in a controlled fashion. The triethoxysilane part of the molecules' side groups is incorporated into the silica framework during sol-gel synthesis, and subsequent removal of the aromatic core creates a cavity with spatially organized aminopropyl groups covalently anchored to the pore walls. We find that the imprinted silicas act as shape-selective base catalysts. Our strategy can be extended to imprint other functional groups, which should give access to a wide range of functionalized materials.

  3. Bulk Higgs with a heavy diphoton signal

    Science.gov (United States)

    Frank, Mariana; Pourtolami, Nima; Toharia, Manuel

    2017-02-01

    We consider scenarios of warped extra dimensions with all matter fields in the bulk and in which both the hierarchy and the flavor puzzles of the Standard Model are addressed. Inspired by the puzzling excess of diphoton events at 750 GeV reported in the early LHC Run II data (since then understood as a statistical excess), we consider here the general question as to whether the simplest extra-dimensional extension of the Standard Model Higgs sector, i.e., a five-dimensional bulk Higgs doublet, can lead to an intermediate mass resonance (between 500 GeV and 1.5 TeV) of which the first signature would be the presence of diphoton events. This surprising phenomenology can happen if the resonance is the lightest C P -odd state coming from the Higgs sector. No new matter content is required, the only new ingredient being the presence of (positive) brane localized kinetic terms associated to the five-dimensional bulk Higgs (which reduce the mass of the C P -odd states). Production and decay of this resonance can naturally give rise to observable diphoton signals, keeping dijet production under control, with very low ZZ and WW signals and with a highly reduced top pair production in an important region of parameter space. We use the 750 GeV excess as an example case scenario.

  4. Bulk Rashba Semiconductors and Related Quantum Phenomena.

    Science.gov (United States)

    Bahramy, Mohammad Saeed; Ogawa, Naoki

    2017-03-29

    Bithmuth tellurohalides BiTeX (X = Cl, Br and I) are model examples of bulk Rashba semiconductors, exhibiting a giant Rashba-type spin splitting among their both valence and conduction bands. Extensive spectroscopic and transport experiments combined with the state-of-the-art first-principles calculations have revealed many unique quantum phenomena emerging from the bulk Rashba effect in these systems. The novel features such as the exotic inter- and intra-band optical transitions, enhanced magneto-optical response, divergent orbital dia-/para-magnetic susceptibility and helical spin textures with a nontrivial Berry's phase in the momentum space are among the salient discoveries, all arising from this effect. Also, it is theoretically proposed and indications have been experimentally reported that bulk Rashba semiconductors such as BiTeI have the capability of becoming a topological insulator under the application of a hydrostatic pressure. Here, we overview these studies and show that BiTeX are an ideal platform to explore the next aspects of quantum matter, which could ultimately be utilized to create spintronic devices with novel functionalities.

  5. Cosmological Implications of QGP Bulk Viscosity

    CERN Document Server

    Anand, Sampurn; Bhatt, Jitesh R

    2016-01-01

    Recent studies of the hot QCD matter indicate that the bulk viscosity ($\\zeta$) of quark-gluon plasma (QGP) rises sharply near the critical point of the QCD phase transition. In this work, we show that such a sharp rise of the bulk viscosity will lead to an effective negative pressure near the critical temperature, $T_{c}$ which in turn drives the Universe to inflate. This inflation has a natural graceful exist when the viscous effect evanesce. We estimate that, depending upon the peak value of $\\zeta$, universe expands by a factor of $10$ to $80$ times in a very short span ($\\Delta t\\sim 10^{-8}$ seconds). Another important outcome of the bulk viscosity dominated dynamics is the cavitation of QGP around $T \\sim 1.5T_{c}$. This would lead to the phenomenon of formation of cavitation bubbles within the QGP phase. The above scenario is independent of the order of QCD phase transition. We delineate some of the important cosmological consequences of the inflation and the cavitation.

  6. Evidence for Bulk Ripplocations in Layered Solids

    Science.gov (United States)

    Gruber, Jacob; Lang, Andrew C.; Griggs, Justin; Taheri, Mitra L.; Tucker, Garritt J.; Barsoum, Michel W.

    2016-09-01

    Plastically anisotropic/layered solids are ubiquitous in nature and understanding how they deform is crucial in geology, nuclear engineering, microelectronics, among other fields. Recently, a new defect termed a ripplocation–best described as an atomic scale ripple–was proposed to explain deformation in two-dimensional solids. Herein, we leverage atomistic simulations of graphite to extend the ripplocation idea to bulk layered solids, and confirm that it is essentially a buckling phenomenon. In contrast to dislocations, bulk ripplocations have no Burgers vector and no polarity. In graphite, ripplocations are attracted to other ripplocations, both within the same, and on adjacent layers, the latter resulting in kink boundaries. Furthermore, we present transmission electron microscopy evidence consistent with the existence of bulk ripplocations in Ti3SiC2. Ripplocations are a topological imperative, as they allow atomic layers to glide relative to each other without breaking the in-plane bonds. A more complete understanding of their mechanics and behavior is critically important, and could profoundly influence our current understanding of how graphite, layered silicates, the MAX phases, and many other plastically anisotropic/layered solids, deform and accommodate strain.

  7. Tailoring Magnetic Properties in Bulk Nanostructured Solids

    Science.gov (United States)

    Morales, Jason Rolando

    Important magnetic properties and behaviors such as coercivity, remanence, susceptibility, energy product, and exchange coupling can be tailored by controlling the grain size, composition, and density of bulk magnetic materials. At nanometric length scales the grain size plays an increasingly important role since magnetic domain behavior and grain boundary concentration determine bulk magnetic behavior. This has spurred a significant amount of work devoted to developing magnetic materials with nanometric features (thickness, grain/crystallite size, inclusions or shells) in 0D (powder), 1D (wires), and 2D (thin films) materials. Large 3D nanocrystalline materials are more suitable for many applications such as permanent magnets, magneto-optical Faraday isolators etc. Yet there are relatively few successful demonstrations of 3D magnetic materials with nanoscale influenced properties available in the literature. Making dense 3D bulk materials with magnetic nanocrystalline microstructures is a challenge because many traditional densification techniques (HIP, pressureless sintering, etc.) move the microstructure out of the "nano" regime during densification. This dissertation shows that the Current Activated Pressure Assisted Densification (CAPAD) method, also known as spark plasma sintering, can be used to create dense, bulk, magnetic, nanocrystalline solids with varied compositions suited to fit many applications. The results of my research will first show important implications for the use of CAPAD for the production of exchange-coupled nanocomposite magnets. Decreases in grain size were shown to have a significant role in increasing the magnitude of exchange bias. Second, preferentially ordered bulk magnetic materials were produced with highly anisotropic material properties. The ordered microstructure resulted in changing magnetic property magnitudes (ex. change in coercivity by almost 10x) depending on the relative orientation (0° vs. 90°) of an externally

  8. Photoelectron imaging, probe of the dynamics: from atoms... to clusters; Imagerie de photoelectrons, sonde de la dynamique: des atomes... aux agregats

    Energy Technology Data Exchange (ETDEWEB)

    Lepine, F

    2003-06-15

    This thesis concerns the study of the deexcitation of clusters and atoms by photoelectron imaging. The first part is dedicated to thermionic emission of a finite size system. A 3-dimensional imaging setup allows us to measure the time evolution of the kinetic energy spectrum of electrons emitted from different clusters (W{sub n}{sup -}, C{sub n}{sup -}, C{sub 60}). Then we have a direct access to the fundamental quantities which characterize this statistical emission: the temperature of the finite heat bath and the decay rate. The second part concerns the ionization of atomic Rydberg states placed in a static electric field. We performed the first experiment of photoionization microscopy which allows us to obtain a picture which is the macroscopic projection of the electronic wave function. Then we have access to the detail of the photoionization and particularly to the quantum properties of the electron usually confined at the atomic scale. (author)

  9. Determination of vertical phase separation in a polyfluorene copolymer : fullerene derivative solar cell blend by X-ray photoelectron spectroscopy

    NARCIS (Netherlands)

    Felicissimo, Marcella Passos; Jarzab, Dorota; Gorgoi, Mihaela; Forster, Michael; Scherf, Ullrich; Scharber, Markus C.; Svensson, Svante; Rudolf, Petra; Loi, Maria Antonietta

    2009-01-01

    A vertical phase separation is evidenced using high-kinetic-energy X-ray photoelectron spectroscopy at different photon energies in a polyfluorene copolymer:C(60) derivative blend relevant for photovoltaic application.

  10. Tuning Optical Properties of MoS2 Bulk and Monolayer Under Compressive and Tensile Strain: A First Principles Study

    Science.gov (United States)

    Kafi, Fariba; Pilevar Shahri, Raheleh; Benam, Mohammad Reza; Akhtar, Arsalan

    2017-06-01

    Knowledge of the optical properties under compressive and tensile strain is highly important in photoelectron devices and the semiconductor industry. In this work, optical properties of bulk and monolayer MoS2 under compressive and tensile strains are investigated by means of density functional theory. The dielectric tensor is derived within the random phase approximation. Calculations indicate that unstrained two-dimensional and bulk MoS2 lead to semiconductors with the gaps of 1.64 eV and 0.84 eV, respectively, whereas the change in the value of the gap by applying tensile or compressive strain depends on the nature of strains. Dielectric function, absorption coefficient, reflectivity, energy loss and the refraction index of the strained and unstrained systems are studied for both parallel (E||x) and perpendicular (E||z) applied electric field polarizations, which are very sensitive to the type and amount of strains. For instance, the reflectivity of a MoS2 monolayer exposed to visible light in the E||z polarization direction, can be tuned from 4% to 10% by introducing strain. Finally, the Abbe number is calculated to characterize the dispersion of the materials under compressive and tensile strain. Bulk MoS2 for E||x shows the highest value of the Abbe number, which shrinks twenty times under the influence of compressive strain.

  11. Recovery of the bulk-like electronic structure of manganese phthalocyanine beyond the first monolayer on Bi2Te3

    Science.gov (United States)

    Hewitt, A. S.; Boltersdorf, J.; Maggard, P. A.; Dougherty, D. B.

    2017-08-01

    The evolution of electronic structure of manganese phthalocyanine on Bi2Te3 shows a transition to a bulk-like aspect abruptly after completion of the first layer. This allows the inference that, in the first layer, there is charge transfer and electronic hybridization involving the occupied Mn-derived d orbitals of the molecule into the conduction band of the substrate. The charge transfer coupling is seen using angle-resolved ultraviolet photoelectron spectroscopy by monitoring the evolution of work function and band structure with increasing molecular film thickness. The electronic structure in the second layer is more bulk-like as indicated by the reappearance of well-known low energy d orbitals that were depopulated in the first layer. Scanning tunneling microscopy shows that the transition to bulk like behavior is also reflected in film structure as a transition from a unique disordered monolayer to a locally ordered and dense second layer. These observations are relevant to ongoing efforts to control topological insulator interfaces especially for spintronics applications.

  12. Tuning Optical Properties of MoS2 Bulk and Monolayer Under Compressive and Tensile Strain: A First Principles Study

    Science.gov (United States)

    Kafi, Fariba; Pilevar Shahri, Raheleh; Benam, Mohammad Reza; Akhtar, Arsalan

    2017-10-01

    Knowledge of the optical properties under compressive and tensile strain is highly important in photoelectron devices and the semiconductor industry. In this work, optical properties of bulk and monolayer MoS2 under compressive and tensile strains are investigated by means of density functional theory. The dielectric tensor is derived within the random phase approximation. Calculations indicate that unstrained two-dimensional and bulk MoS2 lead to semiconductors with the gaps of 1.64 eV and 0.84 eV, respectively, whereas the change in the value of the gap by applying tensile or compressive strain depends on the nature of strains. Dielectric function, absorption coefficient, reflectivity, energy loss and the refraction index of the strained and unstrained systems are studied for both parallel ( E||x) and perpendicular ( E||z) applied electric field polarizations, which are very sensitive to the type and amount of strains. For instance, the reflectivity of a MoS2 monolayer exposed to visible light in the E||z polarization direction, can be tuned from 4% to 10% by introducing strain. Finally, the Abbe number is calculated to characterize the dispersion of the materials under compressive and tensile strain. Bulk MoS2 for E||x shows the highest value of the Abbe number, which shrinks twenty times under the influence of compressive strain.

  13. Soft electronic structure modulation of surface (thin-film) and bulk (ceramics) morphologies of TiO2-host by Pb-implantation: XPS-and-DFT characterization

    Science.gov (United States)

    Zatsepin, D. A.; Boukhvalov, D. W.; Gavrilov, N. V.; Zatsepin, A. F.; Shur, V. Ya.; Esin, A. A.; Kim, S. S.; Kurmaev, E. Z.

    2017-04-01

    The results of combined experimental and theoretical study of substitutional and clustering effects in the structure of Pb-doped TiO2-hosts (bulk ceramics and thin-film morphologies) are presented. Pb-doping of the bulk and thin-film titanium dioxide was made with the help of pulsed ion-implantation without posterior tempering (Electronic Structure Modulation Mode). The X-ray photoelectron spectroscopy (XPS) qualification of core-levels and valence bands and Density-Functional Theory (DFT) calculations were employed in order to study the yielded electronic structure of Pb-ion modulated TiO2 host-matrices. The combined XPS-and-DFT analysis has agreed definitely with the scenario of the implantation stimulated appearance of PbO-like structures in the bulk morphology of TiO2:Pb, whereas in thin-film morphology the PbO2-like structure becomes dominating, essentially contributing weak O/Pb bonding (PbxOy defect clusters). The crucial role of the oxygen hollow-type vacancies for the process of Pb-impurity "insertion" into the structure of bulk TiO2 was pointed out employing DFT-based theoretical background. Both experiment and theory established clearly the final electronic structure re-arrangement of the bulk and thin-film morphologies of TiO2 because of the Pb-modulated deformation and shift of the initial Valence Base-Band Width about 1 eV up.

  14. High-Resolution Photoionization, Photoelectron and Photodissociation Studies. Determination of Accurate Energetic and Spectroscopic Database for Combustion Radicals and Molecules

    Energy Technology Data Exchange (ETDEWEB)

    Ng, Cheuk-Yiu [Univ. of California, Davis, CA (United States)

    2016-04-25

    The main goal of this research program was to obtain accurate thermochemical and spectroscopic data, such as ionization energies (IEs), 0 K bond dissociation energies, 0 K heats of formation, and spectroscopic constants for radicals and molecules and their ions of relevance to combustion chemistry. Two unique, generally applicable vacuum ultraviolet (VUV) laser photoion-photoelectron apparatuses have been developed in our group, which have used for high-resolution photoionization, photoelectron, and photodissociation studies for many small molecules of combustion relevance.

  15. Autler- Townes Splitting in Photoelectron Spectrum of Three-Level Li2 Molecule in Ultrashort Pulse Laser Fields

    Institute of Scientific and Technical Information of China (English)

    HU Wen-Hui; YUAN Kai-Jun; HAN Yong-Chang; Shu Chuang-Cun; CONG Shu-Lin

    2007-01-01

    The Autler-Townes (AT) splitting in femtosecond photoelectron spectrum of three-level Lii molecules is theoretically investigated using time-dependent quantum wave packet method. With proper femtosecond laser pulses, three peaks of the AT splitting can be observed in the photoelectron spectrum. The AT splitting stems from rapid Rabi oscillation caused by intense ultrashort laser pluses. The effects of laser parameters on the molecular ionization dynamics are also discussed.

  16. Materials for Bulk Acoustic Resonators and Filters

    Science.gov (United States)

    Loebl, Hans-Peter

    2003-03-01

    Highly selective solidly mounted bulk acoustic wave (BAW) band pass filters are suited for mobile and wireless systems in the GHz frequency range between 0.8 and 10 GHz. Electro-acoustic thin film BAW resonators are the building blocks these BAW filters. Piezoelectric materials used in these resonators include mainly AlN or ZnO which can be deposited by dedicated thin film sputter deposition techniques. Using these piezo-electric materials and using suited materials for the acoustic Bragg reflector, BAW resonators with high quality factors can be fabricated. The achievable filter bandwidth is approximately 4Alternatively, also ferroelectric thin films might be used to achieve higher coupling coefficient and thus filter bandwidth. BAW resonators and filters have been designed and fabricated on 6" Silicon and glass wafers. Results are presented for resonators and filters operating between 1.95 and 8 GHz. The talk will give an overview of the material aspects which are important for BAW devices. It will be shown that modeling of the resonator and filter response using 1D electro-acoustic simulation (1,2) which includes losses is essential to extract acoustic and electrical material parameters. (1) Solidly Mounted Bulk Acoustic Wave Filters for the Ghz Frequency Range, H.P. Loebl, C. Metzmacher , D.N.Peligrad , R. Mauczok , M. Klee , W. Brand , R.F. Milsom , P.Lok , F.van Straten , A. Tuinhout , J.W.Lobeek, IEEE 2002 Ultrasonics Symposium Munich, October 2002. (2) Combined Acoustic-Electromagnetic Simulation Of Thin-Film Bulk Acoustic Wave Filters, R.F. Milsom, H-P. Löbl, D.N. Peligrad, J-W. Lobeek, A. Tuinhout, R. H. ten Dolle IEEE 2002 Ultrasonics Symposium Munich, October 2002.

  17. Hubble Parameter in Bulk Viscous Cosmology

    CERN Document Server

    Tawfik, A; Wahba, M

    2009-01-01

    We discuss influences of bulk viscosity on the Early Universe, which is modeled by Friedmann-Robertson-Walker metric and Einstein field equations. We assume that the matter filling the isotropic and homogeneous background is relativistic viscous characterized by ultra-relativistic equations of state deduced from recent lattice QCD simulations. We obtain a set of complicated differential equations, for which we suggest approximate solutions for Hubble parameter $H$. We find that finite viscosity in Eckart and Israel-Stewart fluids would significantly modify our picture about the Early Universe.

  18. Fabrication of Porous Bulk Metallic Glass

    Institute of Scientific and Technical Information of China (English)

    Keqiang QIU; Yinglei REN

    2005-01-01

    An open-cell porous bulk metallic glass (BMG)with a diameter of at least 6 mm was fabricated by using an U-turn quartz tube and infiltration casting aroundsoluble NaCl placeholders. The pore formation and glassy structure were examined by optical microscopy (OM), scanning electron microscopy (SEM) and X-ray diffraction (XRD). The results show that the pores or cells are connected to each other and the specimenis composed of a mostly glassy phase.This paper provides a suitable method for fabrication of porous BMG and BMG with larger size in diameter.

  19. Bulk metamaterials: Design, fabrication and characterization

    DEFF Research Database (Denmark)

    Andryieuski, Andrei; Malureanu, Radu; Alabastri, Alessandro

    2009-01-01

    Bulk metamaterials claim a lot of attention worldwide. We report about our activity and advances in design, fabrication and characterization of metal-dielectric composites with three-dimensional lattices. The nomenclature of designs exhibiting negative index behaviour in the near infrared includes...... the generic family of so-called nested structures. Such designs allow keeping the cubic symmetry of the unit cell along with the electric and magnetic responses showed by different parts in separate. For extraction of effective parameters we employ homemade wave propagation retrieving method free from...

  20. Calculated Bulk Properties of the Actinide Metals

    DEFF Research Database (Denmark)

    Skriver, Hans Lomholt; Andersen, O. K.; Johansson, B.

    1978-01-01

    Self-consistent relativistic calculations of the electronic properties for seven actinides (Ac-Am) have been performed using the linear muffin-tin orbitals method within the atomic-sphere approximation. Exchange and correlation were included in the local spin-density scheme. The theory explains...... the variation of the atomic volume and the bulk modulus through the 5f series in terms of an increasing 5f binding up to plutonium followed by a sudden localisation (through complete spin polarisation) in americium...

  1. Diffusion and bulk flow in phloem loading

    DEFF Research Database (Denmark)

    Dölger, Julia; Rademaker, Hanna; Liesche, Johannes

    2014-01-01

    loading mechanism, active symplasmic loading, also called the polymer trap mechanism, where sucrose is transformed into heavier sugars, such as raffinose and stachyose, in the intermediary-type companion cells bordering the sieve elements in the minor veins of the phloem. Keeping the heavier sugars from......%-20% to the sucrose flux into the intermediary cells, while the main part is transported by diffusion. On the other hand, the subsequent sugar translocation into the sieve elements would very likely be carried predominantly by bulk water flow through the plasmodesmata. Thus, in contrast to apoplasmic loaders, all...

  2. New Class of Plastic Bulk Metallic Glass

    Science.gov (United States)

    Chen, L. Y.; Fu, Z. D.; Zhang, G. Q.; Hao, X. P.; Jiang, Q. K.; Wang, X. D.; Cao, Q. P.; Franz, H.; Liu, Y. G.; Xie, H. S.; Zhang, S. L.; Wang, B. Y.; Zeng, Y. W.; Jiang, J. Z.

    2008-02-01

    An intrinsic plastic Cu45Zr46Al7Ti2 bulk metallic glass (BMG) with high strength and superior compressive plastic strain of up to 32.5% was successfully fabricated by copper mold casting. The superior compressive plastic strain was attributed to a large amount of randomly distributed free volume induced by Ti minor alloying, which results in extensive shear band formation, branching, interaction and self-healing of minor cracks. The mechanism of plasticity presented here suggests that the creation of a large amount of free volume in BMGs by minor alloying or other methods might be a promising new way to enhance the plasticity of BMGs.

  3. Calculated Bulk Properties of the Actinide Metals

    DEFF Research Database (Denmark)

    Skriver, Hans Lomholt; Andersen, O. K.; Johansson, B.

    1978-01-01

    Self-consistent relativistic calculations of the electronic properties for seven actinides (Ac-Am) have been performed using the linear muffin-tin orbitals method within the atomic-sphere approximation. Exchange and correlation were included in the local spin-density scheme. The theory explains t...... the variation of the atomic volume and the bulk modulus through the 5f series in terms of an increasing 5f binding up to plutonium followed by a sudden localisation (through complete spin polarisation) in americium...

  4. Improving the bulk data transfer experience

    Energy Technology Data Exchange (ETDEWEB)

    Guok, Chin; Guok, Chin; Lee, Jason R.; Berket, Karlo

    2008-05-07

    Scientific computations and collaborations increasingly rely on the network to provide high-speed data transfer, dissemination of results, access to instruments, support for computational steering, etc. The Energy Sciences Network is establishing a science data network to provide user driven bandwidth allocation. In a shared network environment, some reservations may not be granted due to the lack of available bandwidth on any single path. In many cases, the available bandwidth across multiple paths would be sufficient to grant the reservation. In this paper we investigate how to utilize the available bandwidth across multiple paths in the case of bulk data transfer.

  5. Binary Cu-Zr Bulk Metallic Glasses

    Institute of Scientific and Technical Information of China (English)

    TANG Mei-Bo; ZHAO De-Qian; PAN Ming-Xiang; WANG Wei-Hua

    2004-01-01

    @@ We report that bulk metallic glasses (BMGs) can be produced up to 2 mm by a copper mould casting in Cux Zr1-x binary alloy with a wide glass forming composition range (45 < x < 60 at.%). We find that the formation mechanism for the binary Cu-Zr binary BMG-forming alloy is obviously different from that of the intensively studied multicomponent BMGs. Our results demonstrate that the criteria for the multicomponent alloys with composition near deep eutectic and strong liquid behaviour are no longer the major concern for designing BMGs.

  6. Production, Properties and Applications of Bulk Amorphous Alloys

    Institute of Scientific and Technical Information of China (English)

    Tao Zhang; Akihisa Inoue

    2000-01-01

    A review is given of recent work concerned with the production method, the characteristic properties(1) Bulk amorphous system; (2) Mechanical and magnetic properties of bulkamorphous alloys; (3)application of bulk amorphous alloys.

  7. Chalcopyrite dissolution: Scanning photoelectron microscopy examination of the evolution of sulfur species with and without added iron or pyrite

    Science.gov (United States)

    Li, Yubiao; Qian, Gujie; Brown, Paul L.; Gerson, Andrea R.

    2017-09-01

    Dissolution and oxidation of sulfide minerals play key roles in both acid and metalliferous rock drainage and supergene enrichment. Surface speciation heterogeneity, critical to understanding mechanisms of mineral sulfide dissolution, has to date largely not been considered. To this end synchrotron scanning photoelectron microscopy (SPEM) was employed to examine freshly fractured and partially dissolved chalcopyrite (CuFeS2) surfaces (pH 1.0 HClO4 solution, redox potential 650 mV relative to a standard hydrogen electrode, 75 °C). S2- (bulk), S22- and Sn2- were found to be present on all samples at varying concentrations. Oxidation was observed to take place heterogeneously at the sub-micron scale. As compared to chalcopyrite partially dissolved for 5 days, extended dissolution to 10 days did not show appreciably enhanced oxidation of surface species; however surface roughness increased markedly due to the growth/overlap of oxidised sulfur species. On addition of 4 mM iron both S0 and SO42- were observed but not SO32-, indicating that the greater Fe3+ activity/concentration promotes heterogeneous sulfur oxidation. On contact of pyrite (FeS2) with chalcopyrite, significantly greater chalcopyrite surface oxidation was observed than for the other systems examined, with S0, SO32- and SO42- being identified heterogeneously across the surface. It is proposed that chalcopyrite oxidative dissolution is enhanced by increasing its cathodic area, e.g. contacting with pyrite, while increased Fe3+ activity/concentration also contributes to increased dissolution rates. The high degree of surface heterogeneity of these surface products indicates that these surfaces are not passivated by their formation. These results suggest that chalcopyrite dissolution will be accelerated when in contact with pyrite at solution redox potential intermediate between the rest potentials of chalcopyrite and pyrite (560 mV and 660 mV, respectively) and/or iron rich acidic waters with resulting

  8. Constructing local bulk observables in interacting AdS/CFT

    CERN Document Server

    Kabat, Daniel; Lowe, David A

    2011-01-01

    Local operators in the bulk of AdS can be represented as smeared operators in the dual CFT. We show how to construct these bulk observables by requiring that the bulk operators commute at spacelike separation. This extends our previous work by taking interactions into account. Large-N factorization plays a key role in the construction. We show diagrammatically how this procedure is related to bulk Feynman diagrams.

  9. Composition depth profiles of Bi{sub 3.15}Nd{sub 0.85}Ti{sub 3}O{sub 12} thin films studied by X-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Z.H. [Faculty of Material, Optoelectronic and Physics, Xiangtan University, Xiangtan 411105, Hunan (China); Key Laboratory of Low Dimensional Materials and Application Technology of Ministry of Education, Xiangtan University, Xiangtan 411105, Hunan (China); Zhong, X.L., E-mail: xlzhong@xtu.edu.cn [Faculty of Material, Optoelectronic and Physics, Xiangtan University, Xiangtan 411105, Hunan (China); Key Laboratory of Low Dimensional Materials and Application Technology of Ministry of Education, Xiangtan University, Xiangtan 411105, Hunan (China); Liao, H.; Wang, F. [Faculty of Material, Optoelectronic and Physics, Xiangtan University, Xiangtan 411105, Hunan (China); Key Laboratory of Low Dimensional Materials and Application Technology of Ministry of Education, Xiangtan University, Xiangtan 411105, Hunan (China); Wang, J.B., E-mail: jbwang@xtu.edu.cn [Faculty of Material, Optoelectronic and Physics, Xiangtan University, Xiangtan 411105, Hunan (China); Key Laboratory of Low Dimensional Materials and Application Technology of Ministry of Education, Xiangtan University, Xiangtan 411105, Hunan (China); Zhou, Y.C. [Faculty of Material, Optoelectronic and Physics, Xiangtan University, Xiangtan 411105, Hunan (China); Key Laboratory of Low Dimensional Materials and Application Technology of Ministry of Education, Xiangtan University, Xiangtan 411105, Hunan (China)

    2011-06-15

    In the present work, X-ray photoelectron spectroscopy (XPS) was used to investigate the composition depth profiles of Bi{sub 3.15}Nd{sub 0.85}Ti{sub 3}O{sub 12} (BNT) ferroelectric thin film, which was prepared on Pt(1 1 1)/Ti/SiO{sub 2}/Si(1 0 0) substrates by chemical solution deposition (CSD). It is shown that there are three distinct regions formed in BNT film, which are surface layer, bulk film and interface layer. The surface of film is found to consist of one outermost Bi-rich region. High resolution spectra of the O 1s peak in the surface can be decomposed into two components of metallic oxide oxygen and surface adsorbed oxygen. The distribution of component elements is nearly uniform within the bulk film. In the bulk film, high resolution XPS spectra of O 1s, Bi 4f, Nd 3d, Ti 2p are in agreement with the element chemical states of the BNT system. The interfacial layer is formed through the interdiffusion between the BNT film and Pt electrode. In addition, the Ar{sup +}-ion sputtering changes lots of Bi{sup 3+} ions into Bi{sup 0} due to weak Bi-O bond and high etching energy.

  10. A Batch Feeder for Inhomogeneous Bulk Materials

    Science.gov (United States)

    Vislov, I. S.; Kladiev, S. N.; Slobodyan, S. M.; Bogdan, A. M.

    2016-04-01

    The work includes the mechanical analysis of mechanical feeders and batchers that find application in various technological processes and industrial fields. Feeders are usually classified according to their design features into two groups: conveyor-type feeders and non-conveyor feeders. Batchers are used to batch solid bulk materials. Less frequently, they are used for liquids. In terms of a batching method, they are divided into volumetric and weighting batchers. Weighting batchers do not provide for sufficient batching accuracy. Automatic weighting batchers include a mass controlling sensor and systems for automatic material feed and automatic mass discharge control. In terms of operating principle, batchers are divided into gravitational batchers and batchers with forced feed of material using conveyors and pumps. Improved consumption of raw materials, decreased loss of materials, ease of use in automatic control systems of industrial facilities allows increasing the quality of technological processes and improve labor conditions. The batch feeder suggested by the authors is a volumetric batcher that has no comparable counterparts among conveyor-type feeders and allows solving the problem of targeted feeding of bulk material batches increasing reliability and hermeticity of the device.

  11. Boundary-bulk relation in topological orders

    Directory of Open Access Journals (Sweden)

    Liang Kong

    2017-09-01

    Full Text Available In this paper, we study the relation between an anomaly-free n+1D topological order, which are often called n+1D topological order in physics literature, and its nD gapped boundary phases. We argue that the n+1D bulk anomaly-free topological order for a given nD gapped boundary phase is unique. This uniqueness defines the notion of the “bulk” for a given gapped boundary phase. In this paper, we show that the n+1D “bulk” phase is given by the “center” of the nD boundary phase. In other words, the geometric notion of the “bulk” corresponds precisely to the algebraic notion of the “center”. We achieve this by first introducing the notion of a morphism between two (potentially anomalous topological orders of the same dimension, then proving that the notion of the “bulk” satisfies the same universal property as that of the “center” of an algebra in mathematics, i.e. “bulk = center”. The entire argument does not require us to know the precise mathematical description of a (potentially anomalous topological order. This result leads to concrete physical predictions.

  12. Enhancing bulk superconductivity by engineering granular materials

    Science.gov (United States)

    Mayoh, James; García García, Antonio

    2014-03-01

    The quest for higher critical temperatures is one of the main driving forces in the field of superconductivity. Recent theoretical and experimental results indicate that quantum size effects in isolated nano-grains can boost superconductivity with respect to the bulk limit. Here we explore the optimal range of parameters that lead to an enhancement of the critical temperature in a large three dimensional array of these superconducting nano-grains by combining mean-field, semiclassical and percolation techniques. We identify a broad range of parameters for which the array critical temperature, TcArray, can be up to a few times greater than the non-granular bulk limit, Tc 0. This prediction, valid only for conventional superconductors, takes into account an experimentally realistic distribution of grain sizes in the array, charging effects, dissipation by quasiparticles and limitations related to the proliferation of thermal fluctuations for sufficiently small grains. For small resistances we find the transition is percolation driven. Whereas at larger resistances the transition occurs above the percolation threshold due to phase fluctuations. JM acknowledes support from an EPSRC Ph.D studentship, AMG acknowledges support from EPSRC, grant No. EP/I004637/1, FCT, grant PTDC/FIS/111348/2009 and a Marie Curie International Reintegration Grant PIRG07-GA-2010-268172.

  13. Bulk nanocrystalline Al prepared by cryomilling

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    Bulk nanocrystalline Al was fabricated by mechanically milling at cryogenic temperature (cryomilling) and then by hot pressing in vacuum. By using X-ray diffraction (XRD), scanning electron microscopy (SEM), and transmission electron microscopy (TEM), the microstructure evolution of the material during cryomilling and consolidation was investigated. With increasing the milling time, the grain size decreased sharply and reduced to 42 nm when cryomilled for 12 h. The grains had grown up, and the columnar grain was formed under the hot pressing and extrusion compared with the cryomilled powders. The grain size of as-extruded specimen was approximately 300-500 nm. The reason of high thermal stability of this bulk was attributed primarily to the Zener pinning from the grain boundary of the AlN arising from cryomilling and the solute drag of the impurity. Tensile tests show that the strength of nanocrystalline Al is enhanced with decreasing grain size. The ultimate tensile strength and tensile elongation were 173 MPa and 17.5%, respectively. It appears that the measured high strength in the cryomilled Al is related to a grain-size effect, dispersion strengthening, and dislocation strengthening.

  14. Substantial bulk photovoltaic effect enhancement via nanolayering.

    Science.gov (United States)

    Wang, Fenggong; Young, Steve M; Zheng, Fan; Grinberg, Ilya; Rappe, Andrew M

    2016-01-21

    Spontaneous polarization and inversion symmetry breaking in ferroelectric materials lead to their use as photovoltaic devices. However, further advancement of their applications are hindered by the paucity of ways of reducing bandgaps and enhancing photocurrent. By unravelling the correlation between ferroelectric materials' responses to solar irradiation and their local structure and electric polarization landscapes, here we show from first principles that substantial bulk photovoltaic effect enhancement can be achieved by nanolayering PbTiO3 with nickel ions and oxygen vacancies ((PbNiO2)x(PbTiO3)(1-x)). The enhancement of the total photocurrent for different spacings between the Ni-containing layers can be as high as 43 times due to a smaller bandgap and photocurrent direction alignment for all absorption energies. This is due to the electrostatic effect that arises from nanolayering. This opens up the possibility for control of the bulk photovoltaic effect in ferroelectric materials by nanoscale engineering of their structure and composition.

  15. 19 CFR 151.24 - Unlading facilities for bulk sugar.

    Science.gov (United States)

    2010-04-01

    ... 19 Customs Duties 2 2010-04-01 2010-04-01 false Unlading facilities for bulk sugar. 151.24 Section... OF THE TREASURY (CONTINUED) EXAMINATION, SAMPLING, AND TESTING OF MERCHANDISE Sugars, Sirups, and Molasses § 151.24 Unlading facilities for bulk sugar. When dutiable sugar is to be imported in bulk, a full...

  16. 30 CFR 56.6802 - Bulk delivery vehicles.

    Science.gov (United States)

    2010-07-01

    ... 30 Mineral Resources 1 2010-07-01 2010-07-01 false Bulk delivery vehicles. 56.6802 Section 56.6802... § 56.6802 Bulk delivery vehicles. No welding or cutting shall be performed on a bulk delivery vehicle until the vehicle has been washed down and all explosive material has been removed. Before welding...

  17. 30 CFR 57.6802 - Bulk delivery vehicles.

    Science.gov (United States)

    2010-07-01

    ... 30 Mineral Resources 1 2010-07-01 2010-07-01 false Bulk delivery vehicles. 57.6802 Section 57.6802...-Surface and Underground § 57.6802 Bulk delivery vehicles. No welding or cutting shall be performed on a bulk delivery vehicle until the vehicle has been washed down and all explosive material has...

  18. Electronic structure of reconstructed InAs(001) surfaces - identification of bulk and surface bands based on their symmetries

    Science.gov (United States)

    Olszowska, Natalia; Kolodziej, Jacek J.

    2016-02-01

    Using angle-resolved photoelectron spectroscopy (ARPES) band structures of indium- and arsenic-terminated InAs(001) surfaces are investigated. These surfaces are highly reconstructed, elementary cells of their lattices contain many atoms in different chemical configurations, and moreover, they are composed of domains having related but different reconstructions. These domain-type surface reconstructions result in the reciprocal spaces containing regions with well-defined k→∥-vector and regions with not-well-defined one. In the ARPES spectra most of the surface related features appear as straight lines in the indeterminate k→∥-vector space. It is shown that, thanks to differences in crystal and surface symmetries, the single photon energy ARPES may be successfully used for classification of surface and bulk bands of electronic states on complex, highly reconstructed surfaces instead of the most often used variable photon energy studies.

  19. Effects of the guard electrode on the photoelectron distribution around an electric field sensor

    Science.gov (United States)

    Miyake, Y.; Usui, H.; Kojima, H.

    2011-05-01

    We have developed a numerical model of a double-probe electric field sensor equipped with a photoelectron guard electrode for the particle-in-cell simulation. The model includes typical elements of modern double-probe sensors on, e.g., BepiColombo/MMO, Cluster, and THEMIS spacecraft, such as a conducting boom and a preamplifier housing called a puck. The puck is also used for the guard electrode, and its potential is negatively biased by reference to the floating spacecraft potential. We apply the proposed model to an analysis of an equilibrium plasma environment around the sensor by assuming that the sun illuminates the spacecraft from the direction perpendicular to the sensor deployment axis. As a simulation result, it is confirmed that a substantial number of spacecraft-originating photoelectrons are once emitted sunward and then fall onto the puck and sensing element positions. In order to effectively repel such photoelectrons coming from the sun direction, a potential hump for electrons, i.e., a negative potential region, should be created in a plasma region around the sunlit side of the guard electrode surface. The simulation results reveal the significance of the guard electrode potential being not only lower than the spacecraft body but also lower than the background plasma potential of the region surrounding the puck and the sensing element. One solution for realizing such an operational condition is to bias the guard potential negatively by reference to the sensor potential because the sensor is usually operated nearly at the background plasma potential.

  20. Variable Mixed Orbital Character in the Photoelectron Angular Distribution of NO_{2}

    Science.gov (United States)

    Laws, Benjamin A.; Cavanagh, Steven J.; Lewis, Brenton R.; Gibson, Stephen T.

    2017-06-01

    NO_{2} a key component of photochemical smog and an important species in the Earth's atmosphere, is an example of a molecule which exhibits significant mixed orbital character in the HOMO. In photoelectron experiments the geometric properties of the parent anion orbital are reflected in the photoelectron angular distribution (PAD), an area of research that has benefited largely from the ability of velocity-map imaging (VMI) to simultaneously record both the energetic and angular information, with 100% collection efficiency. Photoelectron spectra of NO_{2}^{-}, taken over a range of wavelengths (355nm-520nm) with the ANU's VMI spectrometer, reveal an anomalous jump in the anisotropy parameter near threshold. Consequently, the orbital behavior of NO_{2}^{-} appears to be quite different near threshold compared to detachment at higher photon energies. This surprising effect is due to the Wigner Threshold law, which causes p orbital character to dominate the photodetachment cross-section near threshold, before the mixed s/d orbital character becomes significant at higher electron kinetic energies. By extending recent work on binary character models to form a more general expression, the variable mixed orbital character of NO_{2}^{-} is able to be described. This study provides the first multi-wavelength NO_{2} anisotropy data, which is shown to be in decent agreement with much earlier zero-core model predictions of the anisotropy parameter. K. J. Reed, A. H. Zimmerman, H. C. Andersen, and J. I. Brauman, J. Chem. Phys. 64, 1368, (1976). doi:10.1063/1.432404 D. Khuseynov, C. C. Blackstone, L. M. Culberson, and A. Sanov, J. Chem. Phys. 141, 124312, (2014). doi:10.1063/1.4896241 W. B. Clodius, R. M. Stehman, and S. B. Woo, Phys. Rev. A. 28, 760, (1983). doi:10.1103/PhysRevA.28.760 Research supported by the Australian Research Council Discovery Project Grant DP160102585

  1. Electronic structure and thermal decomposition of 5-aminotetrazole studied by UV photoelectron spectroscopy and theoretical calculations

    Energy Technology Data Exchange (ETDEWEB)

    Pinto, Rui M., E-mail: ruipinto@fct.unl.pt [CFA, Centro de Fisica Atomica, Departamento de Fisica, Faculdade de Ciencias e Tecnologia, FCT, Universidade Nova de Lisboa, 2829-516 Caparica (Portugal); Dias, Antonio A.; Costa, Maria L. [CFA, Centro de Fisica Atomica, Departamento de Fisica, Faculdade de Ciencias e Tecnologia, FCT, Universidade Nova de Lisboa, 2829-516 Caparica (Portugal)

    2011-03-18

    Graphical abstract: Gas-phase UV photoelectron spectrum of the thermal decomposition of 5-aminotetrazole (5ATZ), obtained at 245 {sup o}C, and mechanism underlying the thermal dissociation of 2H-5ATZ. Research highlights: {yields} Electronic structure of 5ATZ studied by photoelectron spectroscopy. {yields} Gas-phase 5-ATZ exists mainly as the 2H-tautomer. {yields} Thermal decomposition of 5ATZ gives N{sub 2}, NH{sub 2}CN, HN{sub 3} and HCN, at 245 {sup o}C. {yields} HCN can be originated from a carbene intermediate. - Abstract: The electronic properties and thermal decomposition of 5-aminotetrazole (5ATZ) are investigated using UV photoelectron spectroscopy (UVPES) and theoretical calculations. Simulated spectra of both 1H- and 2H-5ATZ, based on electron propagator methods, are produced in order to study the relative gas-phase tautomer population. The thermal decomposition results are rationalized in terms of intrinsic reaction coordinate (IRC) calculations. 5ATZ yields a HOMO ionization energy of 9.44 {+-} 0.04 eV and the gas-phase 5ATZ assumes mainly the 2H-form. The thermal decomposition of 5ATZ leads to the formation of N{sub 2}, HN{sub 3} and NH{sub 2}CN as the primary products, and HCN from the decomposition of a intermediate CH{sub 3}N{sub 3} compound. The reaction barriers for the formation of HN{sub 3} and N{sub 2} from 2H-5ATZ are predicted to be {approx}228 and {approx}150 kJ/mol, at the G2(MP2) level, respectively. The formation of HCN and HNNH from the thermal decomposition of a CH{sub 3}N{sub 3} carbene intermediate is also investigated.

  2. Bonding in inorganic compounds: a study by x-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Avanzino, S.C.

    1978-10-01

    Core electron binding energies were measured for a variety of inorganic and organometallic compounds using gas-phase X-ray photoelectron spectroscopy (XPS). The atomic charge distributions in these molecules are deduced from the binding energies, often leading to a better understanding of the bonding in these compounds. The XPS spectra of fifteen volatile tin compounds were recorded. The data suggest that the metal d orbitals are not significantly involved in the bonding. The oxygen ls XPS spectra of gaseous CH/sub 3/Mn(CO)/sub 5/, (..pi..-C/sub 5/H/sub 5/Fe(CO)/sub 2/)/sub 2/, and Co/sub 4/(CO)/sub 12/ can be readily resolved into separate peaks due to bridging and terminal carbonyl groups. The C ls spectrum of Fe(CO)/sub 5/ consists of a single symmetric peak. The carbonyl ligand core binding energies of transition-metal carbonyl complexes are sensitive to differences in the metal-to-CO ligand bonding. Both C ls and O ls carbonyl binding energies correlate well with average C-O stretching force constants or average C-O stretching frequencies. The metal and carbonyl binding energies in a series of pentacarbonylmanganese complexes LMn(CO)/sub 5/ are a good measure of the relative electronegativities of the ligands L. High-quality X-ray photoelectron spectra have been obtained for compounds dissolved in glycerin solutions, and aqueous solutions were converted into glycerin solutions which gave good XRSspectra of the solutes. The technique appears promising as a future analytical application of X-ray photoelectron spectroscopy. The shifts in the binding energies of oxygen, chlorine, and carbon atoms in some isoelectronic isostructural compounds can be explained in terms of simple trends in atomic charges.

  3. CRF-PEPICO: Double velocity map imaging photoelectron photoion coincidence spectroscopy for reaction kinetics studies

    Science.gov (United States)

    Sztáray, Bálint; Voronova, Krisztina; Torma, Krisztián G.; Covert, Kyle J.; Bodi, Andras; Hemberger, Patrick; Gerber, Thomas; Osborn, David L.

    2017-07-01

    Photoelectron photoion coincidence (PEPICO) spectroscopy could become a powerful tool for the time-resolved study of multi-channel gas phase chemical reactions. Toward this goal, we have designed and tested electron and ion optics that form the core of a new PEPICO spectrometer, utilizing simultaneous velocity map imaging for both cations and electrons, while also achieving good cation mass resolution through space focusing. These optics are combined with a side-sampled, slow-flow chemical reactor for photolytic initiation of gas-phase chemical reactions. Together with a recent advance that dramatically increases the dynamic range in PEPICO spectroscopy [D. L. Osborn et al., J. Chem. Phys. 145, 164202 (2016)], the design described here demonstrates a complete prototype spectrometer and reactor interface to carry out time-resolved experiments. Combining dual velocity map imaging with cation space focusing yields tightly focused photoion images for translationally cold neutrals, while offering good mass resolution for thermal samples as well. The flexible optics design incorporates linear electric fields in the ionization region, surrounded by dual curved electric fields for velocity map imaging of ions and electrons. Furthermore, the design allows for a long extraction stage, which makes this the first PEPICO experiment to combine ion imaging with the unimolecular dissociation rate constant measurements of cations to detect and account for kinetic shifts. Four examples are shown to illustrate some capabilities of this new design. We recorded the threshold photoelectron spectrum of the propargyl and the iodomethyl radicals. While the former agrees well with a literature threshold photoelectron spectrum, we have succeeded in resolving the previously unobserved vibrational structure in the latter. We have also measured the bimolecular rate constant of the CH2I + O2 reaction and observed its product, the smallest Criegee intermediate, CH2OO. Finally, the second

  4. The ionisation energy of cyclopentadienone: a photoelectron-photoion coincidence study

    Science.gov (United States)

    Ormond, Thomas K.; Hemberger, Patrick; Troy, Tyler P.; Ahmed, Musahid; Stanton, John F.; Ellison, G. Barney

    2015-08-01

    Imaging photoelectron photoion coincidence (iPEPICO) spectra of cyclopentadienone (C5H4=O and C5D4=O) have been measured at the Swiss Light Source Synchrotron (Paul Scherrer Institute, Villigen, Switzerland) at the Vacuum Ultraviolet (VUV) Beamline. Complementary to the photoelectron spectra, photoionisation efficiency curves were measured with tunable VUV radiation at the Chemical Dynamics Beamline at the Advanced Light Source Synchrotron (Lawrence Berkeley National Laboratory, Berkeley, CA, USA). For both experiments, molecular beams diluted in argon and helium were generated from the vacuum flash pyrolysis of o-phenylene sulphite in a resistively heated microtubular SiC flow reactor. The Franck-Condon profiles and ionisation energies were calculated at the CCSD(T) level of theory, and are in excellent agreement with the observed iPEPICO spectra. The ionisation energies of both cyclopentadienone-d0, IE(C5H4=O), and cyclopentadienone-d4, IE(C5D4=O), were observed to be the same: 9.41 ± 0.01 eV. The mass-selected threshold photoelectron spectrum (ms-TPES) of cyclopentadienone reveals that the C=C stretch in the ground state of the cation is excited upon ionisation, supporting computational evidence that the ground state of the cation is ? 2A2, and is in agreement with previous studies. However, the previously reported ionisation potential has been improved considerably in this work. In addition, since o-benzoquinone (o-O=C6H4=O and o-O=C6D4=O) is also produced in this process, its ms-TPES has been recorded. From the iPEPICO and photoionisation efficiency spectra, we infer an adiabatic ionisation energy of IE(o-O=C6H4=O) = 9.3 ± 0.1 eV, but the rather structureless spectrum indicates a strong change in geometry upon ionisation making this value less reliable.

  5. Dealloying of Cu{sub x}Au studied by hard X-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Rajput, Parasmani, E-mail: parasmani.rajput@northwestern.edu [European Synchrotron Radiation Facility, 6 rue Jules Horowitz, F-38043 Grenoble (France); Gupta, Ajay [UGC-DAE Consortium for Scientific Research, University Campus, Khandwa Road, Indore 452 017 (India); Detlefs, Blanka [European Synchrotron Radiation Facility, 6 rue Jules Horowitz, F-38043 Grenoble (France); Kolb, Dieter M. [Institute for Electrochemistry, University of Ulm, D-89069 Ulm (Germany); Potdar, Satish [UGC-DAE Consortium for Scientific Research, University Campus, Khandwa Road, Indore 452 017 (India); Zegenhagen, Jörg [European Synchrotron Radiation Facility, 6 rue Jules Horowitz, F-38043 Grenoble (France)

    2013-10-15

    Highlights: ► The shift in binding energy of Cu and Au lines in CuAu alloys is opposite to expected from the nobility of the elements. ► The magnitude of the chemical shifts of the metal lines in CuAu alloys is strongly influenced by finite size effects and disorder. ► Cu 3s and/or Au 4f cross-sections are not well described by theory (Scofield). The Cu 3s photoabsorption cross-section seems to be strongly overestimated. ► We find/confirm that (CuAu) dealloying proceeds into depth like a spinodal decomposition. -- Abstract: We studied pristine and leached ultra-thin Cu{sub x}Au (x ≈ 4) films by hard X-ray photoelectron spectroscopy. The Au 4f and Cu 3s core levels show a shift in binding energy which is opposite to expected from the nobility of the elements, which is explained by charge transfer involving differently screening s and d valence levels of the elements [W. Eberhardt, S.C. Wu, R. Garrett, D. Sondericker, F. Jona, Phys. Rev. B 31 (1985) 8285]. The magnitude of the chemical shifts of the metal lines is strongly influenced by the finite size and disorder of the films. Angular dependent photoelectron emission allowed to assess the alloy composition as a function of depth larger than 5 nm. The potential controlled dealloying proceeds into depth like a spinodal decomposition with Cu going into solution and the remaining Au accumulating in the surface region. The compositional gradient did not lead to a significant broadening of the metal photoelectron lines suggesting a non-local screening mechanism.

  6. Scanned-energy mode photoelectron diffraction measurements at beamline 7.0.1

    Energy Technology Data Exchange (ETDEWEB)

    Toomes, R.; Booth, N.A.; Woodruff, D.P. [Univ. of Warwick, Coventry (United Kingdom)] [and others

    1997-04-01

    This report covers the results of the authors first experimental run, in May 1996, conducted to explore the advantages offered by the high spectral resolution available at the SpectroMicroscopy Facility on beam line 7.0 to conduct scanned-energy mode photoelectron diffraction (PhD). This technique is now a well-established method for the determination of local structure of atomic and molecular adsorbates on well-characterised surfaces. The directly-emitted component of an adsorbate core-level photoelectron wavefield interferes coherently with components of the same wavefield elastically scattered by surrounding atoms, leading to a modulation in the photoemission intensity as a function of kinetic energy in any specific emission direction. A series of such PhD modulation spectra, each typically covering energies from 50-500 eV, for a series of different emission directions, provides the basis for a quantitative structure determination of the emitter-scatterer geometry. Within the last years the authors have developed an integrated approach to extract the structural information from these photoelectron diffraction (PhD) spectra in a quantitative way. A direct data inversion technique (the so-called Projection method) provides a first-order estimate of the local adsorbate geometry in the form of an `image` of the scatterer atoms which are nearest neighbours to the emitter. This information is then used as a starting model for optimisation of the structural parameters by comparing the experimental PhD spectra with the results of multiple scattering simulations using a code developed by Fritzsche. The optimisation uses an automated trial-and-error procedure by minimising a reliability factor which provides an objective measure of the quality of agreement between experiment and theory. The authors have successfully applied this approach to the structure determination of about 30 adsorption systems.

  7. Study on RE-Al-Zr-C-N Coating by X-ray Photoelectron Spectroscopy

    Institute of Scientific and Technical Information of China (English)

    韦永德; 马楠; 侯仰龙

    2001-01-01

    Thermal diffusion of coating on 45 steel with rare earths, zirconium, aluminum, carbon and nitrogen was reported. Through X-ray photoelectron spectrum, the binding energy of permeated elements and their existence states were analyzed. Their existence on the surface of treated steel was confirmed by scanning electronic microscopy and energy dispersive spectroscopy. The results show that the rare earth acts as an activator and accelerator of the permeating of other elements. The effect of rare earths on aluminum is greater than that on zirconium.

  8. Coupled-cluster interpretation of the photoelectron spectrum of Ag3 (.).

    Science.gov (United States)

    Bauman, Nicholas P; Hansen, Jared A; Piecuch, Piotr

    2016-08-28

    We use the scalar relativistic ionized equation-of-motion coupled-cluster (IP-EOMCC) approaches to investigate the photoelectron spectrum of Ag3 (-), examining the effects of basis set, number of correlated electrons, level of applied theory including up to 3-hole-2-particle terms, and geometry relaxation. By employing an IP-EOMCC-based extrapolation scheme, we are able to provide an accurate interpretation and complete assignment of peaks and other key features in the experimentally observed spectra, including electron binding energies as high as about 6.5 eV.

  9. In situ photoelectron spectroscopy of molecular-beam-epitaxy grown surfaces

    CERN Document Server

    Oshima, M; Okabayashi, J; Ono, K

    2003-01-01

    Two in situ high-resolution synchrotron radiation photoelectron spectroscopy (SRPES) systems combined with a molecular beam epitaxy (MBE) chamber for III-V compound semiconductors and a laser MBE chamber for strongly correlated oxide films, respectively, have been designed and fabricated to analyze intrinsic and surface/interface electronic structures of these unique materials. The importance of the in situ SRPES has been demonstrated by the results of 1) Si surface nanostructures, 2) GaAs surfaces/interfaces and nanostructures, 3) MnAs magnetic nanostructures, and 4) strongly-correlated La sub 1 sub - sub x Sr sub x MnO sub 3 surfaces/interfaces and superstructures.

  10. Chemical Reaction Between Polyvinyl Alcohol and Titanate Coupling Agent with X-Ray Photoelectron Spectroscopy

    Institute of Scientific and Technical Information of China (English)

    LI Bei-xing; ZHANG Wen-sheng

    2003-01-01

    The chemical reaction between polyvinyl alcohol (PVA) and tri(dioctylpyrophosphoryloxy) isopropyl titanate (NDZ-201) was studied using X-ray photoelectron spectroscopy (XPS).The results show that some C-OH functional groups of PVA react with the titanate coupling agent to form CPVA-O-Ti-O-CPVA bond.The cross-linking of the PVA chains occurs through the formation of CPVA-O-Ti-O-CPVA bonds and produces a three dimensional hydrophobic polymer network.Accordingly,the mechanism is proposed that the titanate coupling agent improves the moisture sensitivity of high alumina cement/polyvinyl alcohol (HAC/PVA) based macro defect free (MDF) composite material.

  11. Photoelectron detection from transient species in organic semiconducting thin films by dual laser pulse irradiation

    Science.gov (United States)

    Hosokai, Takuya; Matsuzaki, Hiroyuki; Furube, Akihiro; Nakamura, Ken

    2017-02-01

    An Nd3+:YAG pulsed laser was employed as a light source for two-photon photoemission from organic semiconducting thin films in low vacuum and air. Photoionization by the two-photon process was confirmed in both the environments by measuring photoemission current. By constructing a pump-probe system, photoemissions from transient species formed by the pump light irradiation were detected by probe light irradiation as a result of a linear increase in the photocurrent with the pump power via a one-photon process. Thus, we propose a novel method called two-photon photoelectron yield spectroscopy to determine the excited-state energy levels in ambient environments.

  12. Structural Investigation of SBGESE Glasses by High Resolution X-Ray Photoelectron Spectroscopy

    Directory of Open Access Journals (Sweden)

    R. Golovchak

    2011-01-01

    Full Text Available The evolution of the structure of Sb8Ge32Se60 (Z=2.72 and Sb20Ge20Se60 (Z=2.60 chalcogenide glasses is determined by high resolution X-ray photoelectron spectroscopy. Glasses with Z=2.60 the structure consists of deformed tetrahedra and pyramids, in which at least one Se atom is substituted by Ge or Sb atom. For the Z=2.72 structure consisting of shared pyramids and tetrahedra with two or more Se atoms substituted by the cations. At the same time, Se-Se dimers are present in both compositions.

  13. Laser induced threshold photoemission magnetic circular dichroism and its application to photoelectron microscope

    Energy Technology Data Exchange (ETDEWEB)

    Nakagawa, Takeshi, E-mail: nakagawa@ims.ac.jp [Institute for Molecular Science, Myodaiji-cho, Okazaki, 444-8585 (Japan); The Graduate University for Advanced Studies (Sokendai), Myodaiji-cho, Okazaki, 444-8585 (Japan); Yokoyama, Toshihiko, E-mail: yokoyama@ims.ac.jp [Institute for Molecular Science, Myodaiji-cho, Okazaki, 444-8585 (Japan); The Graduate University for Advanced Studies (Sokendai), Myodaiji-cho, Okazaki, 444-8585 (Japan)

    2012-10-15

    Highlights: Black-Right-Pointing-Pointer Threshold photoemission magnetic circular dichroism results are presented. Black-Right-Pointing-Pointer The enhanced MCD contrast is used to observe magnetic domains by PEEM. Black-Right-Pointing-Pointer Magnetization axis, probing depth and angle dependence of MCD are described. Black-Right-Pointing-Pointer Laser based measurements in this method expand the possibility of PEEM. -- Abstract: This work enlightens the threshold photoemission magnetic circular dichroism (MCD) and its adaption on photoemission electron microscopy (PEEM) using lasers. MCD is a simple and efficient way to investigate magnetic properties since it does not need any spin analyzers with low efficiency, and thus the MCD related techniques have developed to observe magnetic domains. Usually, MCD in a total yield measurement in the valence band with weak spin-orbit coupling (SOC) excited by low photon energy (h{nu}{<=} 6 eV) does not compete with the X-ray magnetic circular dichroism (XMCD) with strong SOC. XMCD PEEM observation of magnetic domains has been successfully established while MCD PEEM derived from valence bands has not been. However, using angle and energy resolved photoelectron, valence band MCD provides large asymmetry similar to that by XMCD. Threshold measurement of photoelectron in a total electron yield procedure can take advantage of the measurement of photoelectrons with a limited angle and energy mode. This restriction of the photoelectron makes the threshold MCD technique an efficient way to get magnetic information and gives more than 10% asymmetry for Ni/Cu(0 0 1), which is comparable to that obtained by angle resolved photoemission. Thus the threshold MCD technique is a suitable method to observe magnetic domains by PEEM. For threshold MCD, incident angle dependence and high sensitivity to out-of-plane magnetized films compared with in-plane ones are discussed. Ultrashort pulse lasers make it feasible to measure two photon

  14. Method of automatic tuning pf preset coefficient of electron gain of photoelectron multiplier

    CERN Document Server

    Smirnov, O Yu

    2002-01-01

    Paper describes technique to time the preset coefficient of electron gain of photoelectron multiplier (PEM) ensuring high accuracy at minimal involvement of an operator. Subsequent to rough setting of voltage in PEM the automatic system tunes high voltage so that coefficient of electron gain of PEM corresponds to the preset one within the limits of the required accuracy (up to 2%). The technique was efficiently used to tune two thousands of PEMs for the Borexino solar neutrino detector in the Gran Sasso National Laboratory, Italy

  15. X-ray photoelectron spectroscopy study of the effects of ultrapure water on GaAs

    Science.gov (United States)

    Massies, J.; Contour, J. P.

    1985-06-01

    X-ray photoelectron spectroscopy has been used to investigate the effects of de-ionized water on chemical etched GaAs surfaces. When the treatment with water is performed in static conditions (stagnant water) a Ga-rich oxide layer is formed on GaAs at the rate of 10-20 Å h-1. In contrast, when the GaAs surface is treated in dynamic conditions (running water), no oxide buildup is observed. Moreover, running water can remove the oxide film formed in static conditions, as well as oxidized layers due to air exposure. These results are discussed in the framework of cleaning prior to molecular beam epitaxy.

  16. Laser-Induced Electron Diffraction: Inversion of Photoelectron Spectra for Molecular Orbital Imaging

    CERN Document Server

    Puthumpally-Joseph, R; Peters, M; Nguyen-Dang, T T; Atabek, O; Charron, E

    2016-01-01

    In this paper, we discuss the possibility of imaging molecular orbitals from photoelectron spectra obtained via Laser Induced Electron Diffraction (LIED) in linear molecules. This is an extension of our work published recently in Physical Review A \\textbf{94}, 023421 (2016) to the case of the HOMO-1 orbital of the carbon dioxide molecule. We show that such an imaging technique has the potential to image molecular orbitals at different internuclear distances in a sub-femtosecond time scale and with a resolution of a fraction of an Angstr\\"om.

  17. Ionization in elliptically polarized pulses: Multielectron polarization effects and asymmetry of photoelectron momentum distributions

    DEFF Research Database (Denmark)

    Shvetsov-Shilovskiy, Nikolay; Dimitrovski, Darko; Madsen, Lars Bojer

    2012-01-01

    in close to circularly polarized light, and it is validated by comparison with ab initio results and experiments. The momentum distributions are shown to be highly sensitive to the tunneling exit point, the Coulomb force, and the dipole potential from the induced dipole in the atomic core......In the tunneling regime we present a semiclassical model of above-threshold ionization with inclusion of the Stark shift of the initial state, the Coulomb potential, and a polarization induced dipole potential. The model is used for the investigation of the photoelectron momentum distributions...

  18. Assessment of nanocomposite photonic systems with the X-ray photoelectron spectroscopy

    Institute of Scientific and Technical Information of China (English)

    L. Minati; G. Speranza; M. Anderle; M. Ferrari; A. Chiasera; G. C. Righini

    2007-01-01

    The chemical compositions of Ag-Er co-doped phosphate and silicate glasses were investigated with X-ray photoelectron spectroscopy with the purpose to identify the chemical state of silver. The analysis of the Ag 3d core lines show the presence of nanometer-sized silver particles in each of the annealed samples, even if these Ag 3d lines appear to be very different from each other. We explain these results as a different interaction of silver with the two glasses matrix, which leads to a different nucleation rate of the Ag clusters.

  19. Single-order laser high harmonics in XUV for ultrafast photoelectron spectroscopy of molecular wavepacket dynamics

    Directory of Open Access Journals (Sweden)

    Mizuho Fushitani

    2016-11-01

    Full Text Available We present applications of extreme ultraviolet (XUV single-order laser harmonics to gas-phase ultrafast photoelectron spectroscopy. Ultrashort XUV pulses at 80 nm are obtained as the 5th order harmonics of the fundamental laser at 400 nm by using Xe or Kr as the nonlinear medium and separated from other harmonic orders by using an indium foil. The single-order laser harmonics is applied for real-time probing of vibrational wavepacket dynamics of I2 molecules in the bound and dissociating low-lying electronic states and electronic-vibrational wavepacket dynamics of highly excited Rydberg N2 molecules.

  20. Short-range order in amorphous SiO{sub x} by x ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Novikov, Yu. N.; Gritsenko, V. A. [Institute of Semiconductor Physics, Novosibirsk 630090 (Russian Federation)

    2011-07-01

    The Si 2p x ray photoelectron spectra of SiO{sub x} with a different composition of 0 {<=} x {<=} 2 have been studied experimentally and theoretically. The SiO{sub x} films were prepared by low-pressure chemical vapor deposition from SiH{sub 4} and N{sub 2}O source at 750 deg. C. Neither random bonding nor random mixture models can adequately describe the structure of these compounds. The interpretation of the experimental results is discussed according to a large scale potential fluctuation due to the spatial variation of chemical composition in SiO{sub x}.

  1. Investigation of low-Z Coster-Kronig transitions by means of Auger and photoelectron spectroscopy

    Science.gov (United States)

    Yin, L. I.; Tsang, T.; Adler, I.

    1972-01-01

    Experimental intensity ratios of Auger transitions for Co, Ni, Cu, and Zn as well as the relative L sub 2 and L sub 3 level widths of Cu and Zn, derived from their photoelectron spectra, are presented. Evidence is presented that a great deal of vacancy reorganization took place following photoionization and prior to Auger emission. These reorganizations are assumed to be due to Coster-Kronig transitions f sub 23. These results are compared with theoretical calculations and agree with predicted discontinuity at Z = 30 where f sub 23 transitions become energetically impossible.

  2. Hexamethylcyclopentadiene: time-resolved photoelectron spectroscopy and ab initio multiple spawning simulations

    DEFF Research Database (Denmark)

    Wolf, T. J. A.; Kuhlman, Thomas Scheby; Schalk, O.

    2014-01-01

    comparing time-resolved photoelectron spectroscopy (TRPES) with ab initio multiple spawning (AIMS) simulations on the MS-MR-CASPT2 level of theory. We disentangle the relationship between two phenomena that dominate the immediate molecular response upon light absorption: a spectrally dependent delay...... replaced by ‘‘hydrogen atoms’’ having mass 15 and TRPES spectra were calculated. These showed an induction time of (108 10) fs which could directly be assigned to progress along a torsional mode leading to the intersection seam with the molecular ground state. In a stepladder-type approach, the close...

  3. Electronic structure effects in liquid water studied by photoelectron spectroscopy and density functional theory

    Energy Technology Data Exchange (ETDEWEB)

    Nordlund, Dennis; Odelius, Michael; Bluhm, Hendrik; Ogasawara, Hirohito; Pettersson, Lars G.M.; Nilsson, Anders

    2008-04-29

    We present valence photoelectron emission spectra of liquid water in comparison with gas-phase water, ice close to the melting point, low temperature amorphous and crystalline ice. All aggregation states have major electronic structure changes relative to the free molecule, with rehybridization and development of bonding and anti-bonding states accompanying the hydrogen bond formation. Sensitivity to the local structural order, most prominent in the shape and splitting of the occupied 3a{sub 1} orbital, is understood from the electronic structure averaging over various geometrical structures, and reflects the local nature of the orbital interaction.

  4. STUDY ON POLYMER- Ru- Co BIMETALLIC COMPLEXES CATALYSTS Ⅱ. X-RAY PHOTOELECTRON SPECTROSCOPIC ANALYSIS

    Institute of Scientific and Technical Information of China (English)

    ZONG Huijuan; TANG Qi; CHEN Zonghan; JIANG Yingyan

    1991-01-01

    Polymer-Ru-Co bimetallic complexes have been examined by X-ray photoelectron spectroscopy.The catalyst is highly active only when the mole ratio of Co/Ru is 4:3. The activity of catalysts does not depend on the total Co/Ru ratio, but on the surface stoichiometry of Co and Ru. When the relative intensities of Co2p and Ru3d of XP S peaks are close to each other and both are high, the catalyst exhibits its maximum activity.The mechanism of catalytic hydroformylation has been discussed.

  5. Photoelectron Yields of Scintillation Counters with Embedded Wavelength-Shifting Fibers Read Out With Silicon Photomultipliers

    Energy Technology Data Exchange (ETDEWEB)

    Artikov, Akram; et al.

    2017-09-19

    Photoelectron yields of extruded scintillation counters with titanium dioxide coating and embedded wavelength shifting fibers read out by silicon photomultipliers have been measured at the Fermilab Test Beam Facility using 120\\,GeV protons. The yields were measured as a function of transverse, longitudinal, and angular positions for a variety of scintillator compositions and reflective coating mixtures, fiber diameters, and photosensor sizes. Timing performance was also studied. These studies were carried out by the Cosmic Ray Veto Group of the Mu2e collaboration as part of their R\\&D program.

  6. Photoelectron angular distributions from aligned molecules using the R-matrix method

    CERN Document Server

    Harvey, Alex G; Morales, Felipe; Smirnova, Olga

    2014-01-01

    We present a new extension of the UKRmol electron-molecule scattering code suite, which allows one to compute ab initio photoionization and photorecombination amplitudes for complex molecules, resolved both on the molecular alignment (orientation) and the emission angle and energy of the photoelectron. We illustrate our approach using CO$_2$ as an example, and analyze the importance of multi-channel effects by performing our calculations at different, increasing levels of complexity. We benchmark our method by comparing the results of our calculations with experimental data and with theoretical calculations available in the literature.

  7. Detecting weak interactions between Au- and gas molecules: a photoelectron spectroscopic and ab initio study.

    Science.gov (United States)

    Gao, Yi; Huang, Wei; Woodford, Jeffrey; Wang, Lai-Sheng; Zeng, Xiao Cheng

    2009-07-15

    We show that anion photoelectron spectroscopy can be a very sensitive probe for weak intermolecular interactions between gold anion and a noble-gas atom or other nonreactive molecule. High-level ab initio calculations support the measured trend of relatively weak intermolecular interactions among various gold anion-atom complexes. The interaction between Au(-) and H(2)O is much stronger, comparable to a strong hydrogen bond. The interaction between Au(-) and O(2) is weaker than that between Au(-) and a noble-gas atom (Ar, Kr, or Xe).

  8. X-ray Photoelectron Spectroscopy ofGaP_{1-x}N_x Photocorroded as a Result of Hydrogen Productionthrough Water Electrolysis

    Energy Technology Data Exchange (ETDEWEB)

    Mayer, Marie A.; /Illinois U., Urbana /SLAC

    2006-09-27

    Photoelectrochemical (PEC) cells produce hydrogen gas through the sunlight driven electrolysis of water. By extracting hydrogen and oxygen from water and storing solar energy in the H-H bond, they offer a promising renewable energy technology. Addition of dilute amounts of nitrogen to III-V semiconductors has been shown to dramatically increase the stability of these materials for hydrogen production. In an effort to learn more about the origin of semiconductor photocorrosion in PEC cells, three samples of p-type GaP with varying levels of nitrogen content (0%, 0.2%, 2%) were photocorroded and examined by X-ray Photoelectron Spectroscopy (XPS). GaPN samples were observed to be more efficient during the hydrogen production process than the pure GaP samples. Sample surfaces contained gallium oxides in the form of Ga{sub 2}O{sub 3} and Ga(OH){sub 3} and phosphorus oxide (P{sub 2}O{sub 5}), as well as surface oxides from exposure to air. A significant shift in intensity from bulk to surface peaks dramatic nitrogen segregation to the surface during photoelectrochemical hydrogen production. Further investigations, including using a scanning electron microscope to investigate sample topography and inductively coupled plasma mass spectroscopy (ICP-MS) analysis for solution analyses, are under way to determine the mechanism for these changes.

  9. Photoelectron spectroscopy and theoretical study of M(IO3)2(-) (M = H, Li, Na, K): structural evolution, optical isomers, and hyperhalogen behavior.

    Science.gov (United States)

    Hou, Gao-Lei; Wu, Miao Miao; Wen, Hui; Sun, Qiang; Wang, Xue-Bin; Zheng, Wei-Jun

    2013-07-28

    H(IO3)2(-) and M(IO3)2(-) (M = Li, Na, K) anions were successfully produced via electrospray ionization of their corresponding bulk salt solutions, and were characterized by combining negative ion photoelectron spectroscopy and quantum chemical calculations. The experimental vertical detachment energies (VDEs) of M(IO3)2(-) (M = H, Li, Na, K) are 6.25, 6.57, 6.60, and 6.51 eV, respectively, and they are much higher than that of IO3(-) (4.77 eV). The theoretical calculations show that each of these anions has two energetically degenerate optical isomers. It is found that the structure of H(IO3)2(-) can be written as IO3(-)(HIO3), in which the H atom is tightly bound to one of the IO3(-) groups and forms an iodic acid (HIO3) molecule; while the structures of M(IO3)2(-) can be written as (IO3(-))M(+)(IO3(-)), in which the alkali metal atoms interact with the two IO3(-) groups almost equally and bridge the two IO3(-) groups via two O atoms of each IO3(-) with the two MOOI planes nearly perpendicular to each other. In addition, the high VDEs of M(IO3)2(-) (M = Li, Na, K) can be explained by the hyperhalogen behavior of their neutral counterparts.

  10. Photoelectron spectroscopy and theoretical study of M(IO3)2- (M = H, Li, Na, K): Structural evolution, optical isomers, and hyperhalogen behavior

    Science.gov (United States)

    Hou, Gao-Lei; Wu, Miao Miao; Wen, Hui; Sun, Qiang; Wang, Xue-Bin; Zheng, Wei-Jun

    2013-07-01

    H(IO3)2- and M(IO3)2- (M = Li, Na, K) anions were successfully produced via electrospray ionization of their corresponding bulk salt solutions, and were characterized by combining negative ion photoelectron spectroscopy and quantum chemical calculations. The experimental vertical detachment energies (VDEs) of M(IO3)2- (M = H, Li, Na, K) are 6.25, 6.57, 6.60, and 6.51 eV, respectively, and they are much higher than that of IO3- (4.77 eV). The theoretical calculations show that each of these anions has two energetically degenerate optical isomers. It is found that the structure of H(IO3)2- can be written as IO3-(HIO3), in which the H atom is tightly bound to one of the IO3- groups and forms an iodic acid (HIO3) molecule; while the structures of M(IO3)2- can be written as (IO3-)M+(IO3-), in which the alkali metal atoms interact with the two IO3- groups almost equally and bridge the two IO3- groups via two O atoms of each IO3- with the two MOOI planes nearly perpendicular to each other. In addition, the high VDEs of M(IO3)2- (M = Li, Na, K) can be explained by the hyperhalogen behavior of their neutral counterparts.

  11. Theoretical characterization of four distinct isomer types in hydrated-electron clusters, and proposed assignments for photoelectron spectra of water cluster anions.

    Science.gov (United States)

    Jacobson, Leif D; Herbert, John M

    2011-12-14

    Water cluster anions, (H(2)O)(N)(-), are examined using mixed quantum/classical molecular dynamics based on a one-electron pseudopotential model that incorporates many-body polarization and predicts vertical electron detachment energies (VDEs) with an accuracy of ~0.1 eV. By varying the initial conditions under which the clusters are formed, we are able to identify four distinct isomer types that exhibit different size-dependent VDEs. On the basis of a strong correlation between the electron's radius of gyration and its optical absorption maximum, and extrapolating to the bulk limit (N → ∞), our analysis supports the assignment of the "isomer Ib" data series, observed in photoelectron spectra of very cold clusters, as arising from cavity-bound (H(2)O)(N)(-) cluster isomers. The "isomer I" data reported in warmer experiments are assigned to surface-bound isomers in smaller clusters, transitioning to partially embedded isomers in larger clusters. The partially embedded isomers are characterized by a partially formed solvent cavity at the cluster surface, and they are spectroscopically quite similar to internalized cavity isomers. These assignments are consistent with various experimental data, and our theoretical characterization of these isomers sheds new light on a long-standing assignment problem. © 2011 American Chemical Society

  12. X-ray Photoelectron Spectroscopy ofGaP_{1-x}N_x Photocorroded as a Result of Hydrogen Productionthrough Water Electrolysis

    Energy Technology Data Exchange (ETDEWEB)

    Mayer, Marie A.; /Illinois U., Urbana /SLAC

    2006-09-27

    Photoelectrochemical (PEC) cells produce hydrogen gas through the sunlight driven electrolysis of water. By extracting hydrogen and oxygen from water and storing solar energy in the H-H bond, they offer a promising renewable energy technology. Addition of dilute amounts of nitrogen to III-V semiconductors has been shown to dramatically increase the stability of these materials for hydrogen production. In an effort to learn more about the origin of semiconductor photocorrosion in PEC cells, three samples of p-type GaP with varying levels of nitrogen content (0%, 0.2%, 2%) were photocorroded and examined by X-ray Photoelectron Spectroscopy (XPS). GaPN samples were observed to be more efficient during the hydrogen production process than the pure GaP samples. Sample surfaces contained gallium oxides in the form of Ga{sub 2}O{sub 3} and Ga(OH){sub 3} and phosphorus oxide (P{sub 2}O{sub 5}), as well as surface oxides from exposure to air. A significant shift in intensity from bulk to surface peaks dramatic nitrogen segregation to the surface during photoelectrochemical hydrogen production. Further investigations, including using a scanning electron microscope to investigate sample topography and inductively coupled plasma mass spectroscopy (ICP-MS) analysis for solution analyses, are under way to determine the mechanism for these changes.

  13. 75 FR 34573 - Bulk Solid Hazardous Materials: Harmonization With the International Maritime Solid Bulk Cargoes...

    Science.gov (United States)

    2010-06-17

    ... Bulk MSDS Material Safety Data Sheet NCB National Cargo Bureau NEPA National Environmental Policy Act... material safety data sheet (MSDS) address some portions of proposed Sec. 148.60. We agree with the comment... in the form of an MSDS. e. One comment observed that, as proposed in the 1994 NPRM, Sec. 148.60(d...

  14. Photo-electron momentum distribution and electron localization studies from laser-induced atomic and molecular dissociations

    Science.gov (United States)

    Ray, Dipanwita

    The broad objective of ultrafast strong-field studies is to be able to measure and control atomic and molecular dynamics on a femtosecond timescale. This thesis work has two major themes: (1) Study of high-energy photoelectron distributions from atomic targets. (2) Electron localization control in atomic and molecular reactions using shaped laser pulses. The first section focuses on the study of photoelectron diffraction patterns of simple atomic targets to understand the target structure. We measure the full vector momentum spectra of high energy photoelectrons from atomic targets (Xe, Ar and Kr) generated by intense laser pulses. The target dependence of the angular distribution of the highest energy photoelectrons as predicted by Quantitative Rescattering Theory (QRS) is explored. More recent developments show target structure information can be retrieved from photoelectrons over a range of energies, from 4Up up to 10Up, independent of the peak intensity at which the photoelectron spectra have been measured. Controlling the fragmentation pathways by manipulating the pulse shape is another major theme of ultrafast science today. In the second section we study the asymmetry of electron (and ion) emission from atoms (and molecules) by interaction with asymmetric pulses formed by the superposition of two colors (800 & 400 nm). Xe electron momentum spectra obtained as a function of the two-color phase exhibit a pronounced asymmetry. Using QRS theory we can analyze this asymmetric yield of the high energy photoelectrons to determine accurately the laser peak intensity and the absolute phase of the two-color electric field. This can be used as a standard pulse calibration method for all two-color studies. Experiments showing strong left-right asymmetry in D+ ion yield from D2 molecules using two-color pulses is also investigated. The asymmetry effect is found to be very ion-energy dependent.

  15. Technical issues of a high-Tc superconducting bulk magnet

    Science.gov (United States)

    Fujimoto, Hiroyuki

    2000-06-01

    Superconducting magnets made of high-Tc superconductors are promising for industrial applications. It is well known that REBa2Cu3O7-x superconductors prepared by melt processes have a high critical current density, Jc, at 77 K and high magnetic fields. The materials are very promising for high magnetic field applications as a superconducting permanent/bulk magnet with liquid-nitrogen refrigeration. Light rare-earth (LRE) BaCuO bulks, compared with REBaCuO bulks, exhibit a larger Jc in high magnetic fields and a much improved irreversibility field, Hirr, at 77 K. In this study, we discuss technical issues of a high-Tc superconducting bulk magnet, namely the aspects of the melt processing for bulk superconductors, their characteristic superconducting properties and mechanical properties, and trapped field properties of a superconducting bulk magnet. One of the possible applications is a superconducting bulk magnet for the magnetically levitated (Maglev) train in the future.

  16. A route to transparent bulk metals

    KAUST Repository

    Schwingenschlögl, Udo

    2012-07-23

    Hypothetical compounds based on a sapphire host are investigated with respect to their structural as well as electronic features. The results are obtained by electronic structure calculations within density functional theory and the generalized gradient approximation. A quarter of the Al atoms in Al 2O 3 is replaced by a 4d transition metal M ion, with d 0 to d 9 electronic configuration. We perform structure optimizations for all the compounds and analyze the electronic states. Due to the sizeable band gap of the Al 2O 3 host, we can identify promising candidates for transparent bulk metals. We explain the mechanisms leading to this combination of materials properties. © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. Combustion of bulk titanium in oxygen

    Science.gov (United States)

    Clark, A. F.; Moulder, J. C.; Runyan, C. C.

    1975-01-01

    The combustion of bulk titanium in one atmosphere oxygen is studied using laser ignition and several analytical techniques. These were high-speed color cinematography, time and space resolved spectra in the visible region, metallography (including SEM) of specimens quenched in argon gas, X-ray and chemical product analyses, and a new optical technique, the Hilbert transform method. The cinematographic application of this technique for visualizing phase objects in the combustion zone is described. The results indicate an initial vapor phase reaction immediately adjacent to the molten surface but as the oxygen uptake progresses the evaporation approaches the point of congruency and a much reduced evaporation rate. This and the accumulation of the various soluble oxides soon drive the reaction zone below the surface where gas formation causes boiling and ejection of particles. The buildup of rutile cuts off the oxygen supply and the reaction ceases.

  18. DEPLOYMENT OF THE BULK TRITIUM SHIPPING PACKAGE

    Energy Technology Data Exchange (ETDEWEB)

    Blanton, P.

    2013-10-10

    A new Bulk Tritium Shipping Package (BTSP) was designed by the Savannah River National Laboratory to be a replacement for a package that has been used to ship tritium in a variety of content configurations and forms since the early 1970s. The BTSP was certified by the National Nuclear Safety Administration in 2011 for shipments of up to 150 grams of Tritium. Thirty packages were procured and are being delivered to various DOE sites for operational use. This paper summarizes the design features of the BTSP, as well as associated engineered material improvements. Fabrication challenges encountered during production are discussed as well as fielding requirements. Current approved tritium content forms (gas and tritium hydrides), are reviewed, as well as, a new content, tritium contaminated water on molecular sieves. Issues associated with gas generation will also be discussed.

  19. Tuneable film bulk acoustic wave resonators

    CERN Document Server

    Gevorgian, Spartak Sh; Vorobiev, Andrei K

    2013-01-01

    To handle many standards and ever increasing bandwidth requirements, large number of filters and switches are used in transceivers of modern wireless communications systems. It makes the cost, performance, form factor, and power consumption of these systems, including cellular phones, critical issues. At present, the fixed frequency filter banks based on Film Bulk Acoustic Resonators (FBAR) are regarded as one of the most promising technologies to address performance -form factor-cost issues. Even though the FBARs improve the overall performances the complexity of these systems remains high.  Attempts are being made to exclude some of the filters by bringing the digital signal processing (including channel selection) as close to the antennas as possible. However handling the increased interference levels is unrealistic for low-cost battery operated radios. Replacing fixed frequency filter banks by one tuneable filter is the most desired and widely considered scenario. As an example, development of the softwa...

  20. Criticality in Bulk Metallic Glass Constituent Elements

    Science.gov (United States)

    Mota, Rodrigo Miguel Ojeda; Graedel, T. E.; Pekarskaya, Evgenia; Schroers, Jan

    2017-07-01

    Bulk metallic glasses (BMGs), which readily form amorphous phases during solidification, are increasingly being used in first applications of watch components, electronic casings, and sporting goods. The compositions of BMGs typically include four to six elements. Various political and geological factors have recently led to supply disruptions for several metals, including some present in BMG compositions. In this work, we assess the "criticality" of 22 technologically interesting BMG compositions, compare the results with those for three common engineering alloy groups, and derive recommendations for BMG composition choices from a criticality perspective. The criticality of BMGs is found to be generally much higher compared with those for the established engineering alloys. Therefore, criticality concerns should also be considered in the choice between existing and developing novel BMGs.