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Sample records for photoemission spectra xps

  1. Handbook of Monochromatic XPS Spectra, Semiconductors

    NASA Astrophysics Data System (ADS)

    Crist, B. Vincent

    2000-10-01

    This handbook is one of three containing an invaluable collection of research grade XPS Spectra. Each handbook concentrates on a specific family of materials (the elements and their native oxides, semiconductors and polymers) and is entirely self-contained. The introductory section to each handbook includes comprehensive information about the XPS instrument used, the materials and the advanced methods used to collect the spectra. Energy resolution settings, instrument characteristics, energy referencing methods, traceability, energy scale calibration details and transmission function are all reported. Among the many valuable features included in each of these handbooks are: ? All spectra were measured by using AlK monochromatic X-rays ? All spectra were collected in a self-consistent manner to maximise data reliability and quality ? All peaks in the wide spectra are fully annotated and accompanied by detailed atom % tables that report BEs for each of the labelled peaks ? Each high-energy resolution spectrum is peak-fitted and accompanied by detailed tables containing binding energies, FWHMs and relative percentages. In this volume 'Semiconductors' are contained XPS Spectra from a wide range of semiconductive materials and related materials, a rare tool for scientists and analysts in this area. Exclusive features of this volume include: ? Binding energies are accurate to +/- 0.08eV ? Charge compensation was done with a flood-gun mesh-screen system ? Valence band spectra document the occupied density of states (DOS) and the fundamental electronic nature of the semi-conductive materials analysed ? Analyses were done: "as received", "freshly fractured in air", "ion etched" and "chemically treated" ? Alphabetically organised by chemical abbreviations for ease of locating each material This handbook is an invaluable reference for materials scientists and electrical engineers in industry, academia and government laboratories interested in the analysis of semiconductors

  2. Calculation of 3s photoemission spectra of vanadium on graphite

    SciTech Connect

    Krueger, P.; Taguchi, M.; Parlebas, J.C.; Kotani, A.

    1997-06-01

    A few years ago, a satellite structure in the vanadium 3s x-ray photoemission spectroscopy (XPS) spectrum of V clusters upon graphite was observed and attributed to the presence of magnetic moments on the V surface. Here, we present calculations of these spectra using a cluster model that takes into account intra-atomic d-d and d{endash}core electron correlation and hybridization between V d and graphite {pi} states. When the V-graphite distance is increased from 1.5 to 2.0 {Angstrom} the system undergoes a low-to-high spin transition, which is clearly evidenced in the evolution of the XPS line shape. Although direct comparison with experiment is difficult, our study suggests that the observed satellite is due to core hole screening rather than a magnetic moment on the V atom. {copyright} {ital 1997} {ital The American Physical Society}

  3. XPS study of interface formation of CVD SiO2 on InSb. [X-ray Photoemission Spectroscopy

    NASA Technical Reports Server (NTRS)

    Vasquez, R. P.; Grunthaner, F. J.

    1981-01-01

    The interfacial chemistry of CVD SiO2 films deposited on thin native oxides grown on InSb substrates is examined using X-ray photoemission spectroscopy (XPS) and a relatively benign chemical etching technique for depth profiling. An intensity analysis of XPS spectra is used to derive the compositional structure of the interfaces obtained in the SiO2/native oxide/InSb system. Peak positions in these spectra are used to follow the change in substrate surface potential during the etch sequence, and to establish the chemical nature of the species formed during deposition and subsequent processing. Reaction of the substrate with oxygen resulted in an In-rich native oxide and 1-2 monolayers of excess elemental Sb at the native-oxide/substrate interface, incompletely oxidized silane reduced the native oxide, leaving less than 1 monolayer of elemental In at the SiO2/native oxide interface. Etch removal of this thin In-rich layer leads to a change in the substrate surface potential of 0.06 eV, corresponding to a net increase in positive charge. The results are consistent with simple thermodynamic considerations; they are also compared to previously reported studies of deposited dielectrics on III-V compound semiconductors.

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

    NASA Astrophysics Data System (ADS)

    Pauly, N.; Yubero, F.; Tougaard, S.

    2016-10-01

    Identification of specific chemical states and local electronic environments at surfaces by X-ray photoelectron spectroscopy (XPS) is often difficult because it is not straightforward to quantitatively interpret the shape and intensity of shake-up structures that originate from the photoexcitation process. Indeed the shape and intensity of measured XPS structures are strongly affected by both extrinsic excitations due to electron transport out of the surface and intrinsic excitations induced by the sudden creation of the static core hole. These processes must be taken into account to quantitatively extract, from experimental XPS, the primary excitation spectrum of the considered transition which includes all effects that are part of the initial photo-excitation process, i.e. lifetime broadening, spin-orbit coupling, and multiplet splitting. It was previously shown [N. Pauly, S. Tougaard, F. Yubero, Surf. Sci. 620 (2014) 17] that both extrinsic and intrinsic excitations could be included in an effective energy-differential inelastic electron scattering cross section for XPS which is then convoluted with the primary excitation spectrum to model the full XPS spectrum. This method can thus be applied to determine the primary excitation spectrum from any XPS spectrum. We use this approach in the present paper to determine the Au 4f and Ag 3d photoemission spectra from pure metals. We observe that characteristic energy loss features of the XPS spectra are not only due to photoelectron energy losses. We thus prove the existence of a double shake-up process characterized by a 4d → 5s/5p transition for Ag and a 5d → 6s/6p transition for Au. We finally accurately quantify the energy position and intensity of these shake-up peaks.

  5. The Interpretation of XPS Spectra: Insights Into Materials Properties

    SciTech Connect

    Bagus, Paul S.; Ilton, Eugene S.; Nelin, Constance J.

    2013-06-01

    We review basic and advanced concepts needed for the correct analysis of XPS features. We place these concepts on rigorous foundations and explore their physical and chemical meanings without stressing the derivation of the mathematical formulations, which can be found in the cited literature. The significance and value of combining theory and experiment is demonstrated by discussions of the physical and chemical origins of the main and satellite XPS features for a variety of molecular and condensed phase materials.

  6. Electron-phonon coupling and its evidence in the photoemission spectra of lead.

    PubMed

    Reinert, F; Eltner, B; Nicolay, G; Ehm, D; Schmidt, S; Hüfner, S

    2003-10-31

    We present a detailed study of the influence of strong electron-phonon coupling on the photoemission spectra of lead. Representing the strong-coupling regime of superconductivity, the spectra of lead show characteristic features that demonstrate the correspondence of physical properties in the normal and the superconducting state, as predicted by the Eliashberg theory. These features appear on an energy scale of a few meV and are accessible for photoemission only by using modern spectrometers with high-resolution in energy and angle.

  7. Application of the Lucy–Richardson Deconvolution Procedure to High Resolution Photoemission Spectra

    SciTech Connect

    Rameau, J.; Yang, H.-B.; Johnson, P.D.

    2010-07-01

    Angle-resolved photoemission has developed into one of the leading probes of the electronic structure and associated dynamics of condensed matter systems. As with any experimental technique the ability to resolve features in the spectra is ultimately limited by the resolution of the instrumentation used in the measurement. Previously developed for sharpening astronomical images, the Lucy-Richardson deconvolution technique proves to be a useful tool for improving the photoemission spectra obtained in modern hemispherical electron spectrometers where the photoelectron spectrum is displayed as a 2D image in energy and momentum space.

  8. Simulation of XPS C1s spectra of organic monolayers by quantum chemical methods.

    PubMed

    Giesbers, Marcel; Marcelis, Antonius T M; Zuilhof, Han

    2013-04-16

    Several simple methods are presented and evaluated to simulate the X-ray photoelectron spectra (XPS) of organic monolayers and polymeric layers by density functional theory (DFT) and second-order Møller-Plesset theory (MP2) in combination with a series of basis sets. The simulated carbon (C1s) XPS spectra as obtained via B3LYP/6-311G(d,p) or M11/6-311G(d,p) calculations are in good agreement (average mean error <0.3 eV) with the experimental spectra, and good estimates of C1s spectra can be obtained via E(C1s)(exp) = 0.9698EC1s(theory) + 20.34 (in eV) (B3LYP/6-311G(d,p)). As a result, the simulated C1s XPS spectra can elucidate the binding energies of the different carbon species within an organic layer and, in this way, greatly aid the assignment of complicated C1s XPS spectra. The paper gives a wide range of examples, including haloalkanes, esters, (thio-)ethers, leaving groups, clickable functionalities, and bioactive moieties.

  9. Resonant Photoemission and M_{2,3}-Absorption Spectra in Nickel Dichloride

    NASA Astrophysics Data System (ADS)

    Igarashi, J.

    Ni 3p-resonant photoemission and Ni M_{2,3}-absorption spectra are calculated in detail on a cluster of (NiCl_6)^{4-} with the use of the transition matrix elements evaluated on the Herman-Skillman potential in Ni atom. Overall spectral shape agrees well with experiment, allowing a determination of the parameters which characterize Ni 3d and Cl 3p states. Resonance behavior is discussed near the Ni 3p-core level photothreshold. The resonant enhancement is found to be larger for the peak with higher binding energy in the d^7-multiplets.

  10. Efficient modeling of liquid phase photoemission spectra and reorganization energies: Difficult case of multiply charged anions.

    PubMed

    Rubešová, Martina; Jurásková, Veronika; Slavíček, Petr

    2017-03-15

    An efficient approach for quantitative modeling of liquid phase photoelectron spectra, reorganization energies, and redox potentials with DFT-based molecular dynamics simulations is presented. The method is based on a large scale cluster-continuum approach combined with the so-called reflection principle (RP). Finite size clusters of solute molecules with solvating water molecules are at first generated using either classical molecular dynamics or molecular dynamics with a quantum thermostat which accounts for nuclear quantum effects. In the next step, the electron binding energies are calculated. Finite-size corrections for (i) positions of electron binding energies and (ii) width of the spectrum are evaluated via a dielectric continuum approach. The performance of such a reflection principle with additional broadening approach (RP-AB) for oxidation of multiply charged iron anions, [Fe(CN)6 ](4-) and [Fe(CN)6 ](3-) is demonstrated. The role of nuclear quantum effects is discussed as well as the relation between spectroscopic data and electrochemical quantities. Results are compared with recent liquid photoemission experiments, explaining the obstacles for applying liquid phase photoemission spectroscopy as a direct method for obtaining absolute redox potentials and suggesting a way to overcome them. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

  11. Real time cumulant approach for charge-transfer satellites in x-ray photoemission spectra

    SciTech Connect

    Kas, Joshua J.; Vila, Fernando D.; Rehr, John J.; Chambers, Scott A.

    2015-03-01

    X-ray photoemission spectra generally exhibit satellite features in addition to quasi-particle peaks due to many-body excitations which have been of considerable theoretical and experimental interest. However, the satellites attributed to charge-transfer (CT) excitations in correlated materials have proved difficult to calculate from first principles. Here we report a real-time, real-space approach for such calculations based on a cumulant representation of the core-hole Green’s function and time-dependent density functional theory. This approach also yields an interpretation of CT satellites in terms of a complex oscillatory, transient response to a suddenly created core hole. Illustrative results for TiO2 and NiO are in good agreement with experiment.

  12. Revisiting photoemission and inverse photoemission spectra of nickel oxide from first principles: implications for solar energy conversion.

    PubMed

    Alidoust, Nima; Toroker, Maytal Caspary; Carter, Emily A

    2014-07-17

    We use two different ab initio quantum mechanics methods, complete active space self-consistent field theory applied to electrostatically embedded clusters and periodic many-body G0W0 calculations, to reanalyze the states formed in nickel(II) oxide upon electron addition and ionization. In agreement with interpretations of earlier measurements, we find that the valence and conduction band edges consist of oxygen and nickel states, respectively. However, contrary to conventional wisdom, we find that the oxygen states of the valence band edge are localized whereas the nickel states at the conduction band edge are delocalized. We argue that these characteristics may lead to low electron-hole recombination and relatively efficient electron transport, which, coupled with band gap engineering, could produce higher solar energy conversion efficiency compared to that of other transition-metal oxides. Both methods find a photoemission/inverse-photoemission gap of 3.6-3.9 eV, in good agreement with the experimental range, lending credence to our analysis of the electronic structure of NiO.

  13. Revisiting Photoemission and Inverse Photoemission Spectra of Nickel Oxide from First Principles: Implications for Solar Energy Conversion

    SciTech Connect

    Alidoust, Nima; Toroker, Maytal; Carter, Emily A.

    2014-07-17

    We use two different ab initio quantum mechanics methods, complete active space self-consistent field theory applied to electrostatically embedded clusters and periodic many-body G₀W₀ calculations, to reanalyze the states formed in nickel(II) oxide upon electron addition and ionization. In agreement with interpretations of earlier measurements, we find that the valence and conduction band edges consist of oxygen and nickel states, respectively. However, contrary to conventional wisdom, we find that the oxygen states of the valence band edge are localized whereas the nickel states at the conduction band edge are delocalized. We argue that these characteristics may lead to low electron-hole recombination and relatively efficient electron transport, which, coupled with band gap engineering, could produce higher solar energy conversion efficiency compared to that of other transition-metal oxides. Both methods find a photoemission/inverse-photoemission gap of 3.6-3.9 eV, in good agreement with the experimental range, lending credence to our analysis of the electronic structure of NiO.

  14. Photoemission spectra of aqueous solutions of salts from many-body perturbation theory

    NASA Astrophysics Data System (ADS)

    Gaiduk, Alex P.; Skone, Jonathan H.; Govoni, Marco; Galli, Giulia

    The computational design of electrode materials for energy conversion and storage processes requires an accurate description of the energy levels of the electrolyte and of electrolyte/electrode interfaces. Conventional density-functional approximations are in general not well suited for this task as they yield inaccurate orbital energies. Many-body perturbation theory (MBPT) predicts vertical ionization potentials and energy gaps in better agreement with experiments, providing the possibility for an accurate description of the electronic properties of electrolytes. We coupled ab initio molecular dynamics with MBPT calculations to investigate the photoemission spectra of a 1 M aqueous solution of NaCl. For the first time we were able to determine the absolute positions of the spectra peaks, with excellent agreement with experiments for both the solute and solvent peak positions. The best results were obtained using wavefunctions obtained from dielectric-dependent hybrid calculations as a starting point for MBPT. Work supported by DOE BES DE-SC0008938. Computer time provided by the Argonne Leadership Computing Facility through the INCITE program.

  15. Surface and bulk 4f-photoemission spectra of CeIn{sub 3} and CeSn{sub 3}

    SciTech Connect

    Kim, H.; Tjernberg, O.; Chiaia, G.; Kumigashira, H.; Takahashi, T.; Duo, L.; Sakai, O.; Kasaya, M.; Lindau, I.

    1997-07-01

    Resonant photoemission spectroscopy was performed on CeIn{sub 3} and CeSn{sub 3} at the 4d-4f and 3d-4f core thresholds. Using the different surface sensitivity between the two photon energies, surface and bulk 4f-photoemission spectra were derived for both compounds. With the noncrossing approximation of the Anderson impurity model, the 4d-4f resonant spectra together with the surface and bulk spectra were self-consistently analyzed to obtain the microscopic parameters such as the 4f-electron energy and the hybridization strength with conduction electrons. The result shows a substantial difference in these parameters between the surface and the bulk, indicating that it is important to take into account the surface effect in analyzing photoemission spectra of Ce compounds. It is also found that the 4f surface core-level shift is different between CeIn{sub 3} and CeSn{sub 3}. {copyright} {ital 1997} {ital The American Physical Society}

  16. Quantitative Analysis of Valence Photoemission Spectra and Quasiparticle Excitations at Chromophore-Semiconductor Interfaces

    NASA Astrophysics Data System (ADS)

    Patrick, Christopher E.; Giustino, Feliciano

    2012-09-01

    Investigating quasiparticle excitations of molecules on surfaces through photoemission spectroscopy forms a major part of nanotechnology research. Resolving spectral features at these interfaces requires a comprehensive theory of electron removal and addition processes in molecules and solids which captures the complex interplay of image charges, thermal effects, and configurational disorder. Here, we develop such a theory and calculate the quasiparticle energy-level alignment and the valence photoemission spectrum for the prototype biomimetic solar cell interface between anatase TiO2 and the N3 chromophore. By directly matching our calculated photoemission spectrum to experimental data, we clarify the atomistic origin of the chromophore peak at low binding energy. This case study sets a new standard in the interpretation of photoemission spectroscopy at complex chromophore-semiconductor interfaces.

  17. A poly-epoxy surface explored by Hartree-Fock ΔSCF simulations of C1s XPS spectra

    NASA Astrophysics Data System (ADS)

    Gavrielides, A.; Duguet, T.; Esvan, J.; Lacaze-Dufaure, C.; Bagus, P. S.

    2016-08-01

    Whereas poly-epoxy polymers represent a class of materials with a wide range of applications, the structural disorder makes them difficult to model. In the present work, we use good experimental model samples in the sense that they are pure, fully polymerized, flat and smooth, defect-free, and suitable for ultrahigh vacuum x-ray photoelectron spectroscopy, XPS, experiments. In parallel, we perform Hartree-Fock, HF, calculations of the binding energies, BEs, of the C1s electrons in a model molecule composed of the two constituents of the poly-epoxy sample. These C1s BEs were determined using the HF ΔSCF method, which is known to yield accurate values, especially for the shifts of the BEs, ΔBEs. We demonstrate the benefits of combining rigorous theory with careful XPS measurements in order to obtain correct assignments of the C1s XPS spectra of the polymer sample. Both the relative binding energies—by the ΔSCF method—and relative intensities—in the sudden approximation, SA, are calculated. It results in an excellent match with the experimental spectra. We are able to identify 9 different chemical environments under the C1s peak, where an exclusively experimental work would have found only 3 contributions. In addition, we observe that some contributions are localized at discrete binding energies, whereas others allow a much wider range because of the variation of their second neighbor bound polarization. Therefore, HF-ΔSCF simulations significantly increase the spectral resolution of XPS and thus offer a new avenue for the exploration of the surface of polymers.

  18. Features in the electronic structure and photoemission spectra of organic molecular semiconductors: The molecules of metal-phthalocyanines and PTCDA

    NASA Astrophysics Data System (ADS)

    Tikhonov, E. V.; Uspenskii, Yu. A.; Khokhlov, D. R.

    2013-09-01

    The role of many-electron effects in the formation of electronic quasiparticle spectra in organic molecular semiconductors (OMS) is analyzed. Many-body perturbation theory, ab initio calculations of metal phthalocyanines and PTCDA molecules, and experimental photoemission spectra are applied to this analysis. It is shown that density functional theory (DFT) poorly reproduces the electronic spectra of OMS. The use of a hybrid functional method (HFM) provides precise reproduction of both valence and conducting bands, while the HOMO-LUMO gap remains underestimated. The correct gap width is obtained in both DFT and HFM, when it is calculated through ionization and affinity energies. It is shown that such an approach gives a formula for gap correction due to electron correlations, which is close to an expression derived from the GW approximation.

  19. Temperature Dependence of the Yb 4f Spectra in Yb4Bi3 Probed by Photoemission Spectroscopy

    NASA Astrophysics Data System (ADS)

    Harada, Hideyuki; Sekiyama, Akira; Suga, Shigemasa; Imada, Shin; Muro, Takayuki; Jung, Ran-Ju; Matsuda, Kyoko; Takagi, Hiroshi; Ochiai, Akira; Suzuki, Takashi; Harima, Hisatomo

    1999-08-01

    We have performed a photoemission study of Yb4Bi3. Thevalence band spectra have shown no multiplet structures associatedwith the trivalent Yb and revealed that the mean valence of the Yb ionis very close to 2.0. The divalent Yb 4f spectra have shown strongsurface components besides weak but sharp bulk components. The surface4f level shift is about 0.45 eV (300 K), 0.48 eV (150 K) and0.54 eV (20 K). A clear energy shift of the bulk Yb 4f peaks towardEF with decreasing temperature has been observed, althoughYb4Bi3 shows neither phase transition nor crossover. Such anunusual peak shift of the bulk component may originate from a changeof the lattice constant with decreasing temperature. The observednarrowing of the bulk 4f peaks is thought to be due to a phononbroadening (˜7 k BT).

  20. Importance of semicore states in GW calculations for simulating accurately the photoemission spectra of metal phthalocyanine molecules

    NASA Astrophysics Data System (ADS)

    Umari, P.; Fabris, S.

    2012-05-01

    The quasi-particle energy levels of the Zn-Phthalocyanine (ZnPc) molecule calculated with the GW approximation are shown to depend sensitively on the explicit description of the metal-center semicore states. We find that the calculated GW energy levels are in good agreement with the measured experimental photoemission spectra only when explicitly including the Zn 3s and 3p semicore states in the valence. The main origin of this effect is traced back to the exchange term in the self-energy GW approximation. Based on this finding, we propose a simplified approach for correcting GW calculations of metal phthalocyanine molecules that avoids the time-consuming explicit treatment of the metal semicore states. Our method allows for speeding up the calculations without compromising the accuracy of the computed spectra.

  1. First-principles approach to excitons in time-resolved and angle-resolved photoemission spectra

    NASA Astrophysics Data System (ADS)

    Perfetto, E.; Sangalli, D.; Marini, A.; Stefanucci, G.

    2016-12-01

    In this work we put forward a first-principles approach and propose an accurate diagrammatic approximation to calculate the time-resolved (TR) and angle-resolved photoemission spectrum of systems with excitons. We also derive an alternative formula to the TR photocurrent which involves a single time-integral of the lesser Green's function. The diagrammatic approximation applies to the relaxed regime characterized by the presence of quasistationary excitons and vanishing polarization. The nonequilibrium self-energy diagrams are evaluated using excited Green's functions; since this is not standard, the analytic derivation is presented in detail. The final result is an expression for the lesser Green's function in terms of quantities that can all be calculated in a first-principles manner. The validity of the proposed theory is illustrated in a one-dimensional model system with a direct gap. We discuss possible scenarios and highlight some universal features of the exciton peaks. Our results indicate that the exciton dispersion can be observed in TR and angle-resolved photoemission.

  2. XPS spectra of uranyl minerals and synthetic uranyl compounds. II: The O 1s spectrum

    NASA Astrophysics Data System (ADS)

    Schindler, M.; Hawthorne, F. C.; Freund, M. S.; Burns, P. C.

    2009-05-01

    The O 1s spectrum is examined for 19 uranyl minerals of different composition and structure. Spectra from single crystals were measured with a Kratos Axis Ultra X-ray Photoelectron Spectrometer with a magnetic-confinement charge-compensation system. Well-resolved spectra with distinct maxima, shoulders and inflections points, in combination with reported and measured binding energies for specific O 2- species and structural data of the uranyl minerals are used to resolve the fine structure of the O 1s envelope. The resolution of the O 1s spectra includes, for the first time, different O 2- bands, which are assigned to O atoms linking uranyl with uranyl polyhedra ( Usbnd Osbnd U) and O atoms of uranyl groups ( Odbnd Udbnd O). The resolved bands in the O 1s spectrum occur at distinct ranges in binding energy: bands for ( Usbnd Osbnd U) occur at 529.6-530.4 eV, bands for ( Odbnd Udbnd O) occur at 530.6-531.4 eV, bands for O 2- in the equatorial plane of the uranyl polyhedra linking uranyl polyhedra with ( TO n) groups ( T = Si, S, C, P, Se) ( Tsbnd O) occur at 530.9-532.2 eV; bands for (OH) groups in the equatorial plane of the uranyl polyhedra ( OH) occur at 532.0-532.5 eV, bands of (H 2O) groups in the interstitial complex of the uranyl minerals ( H2O interst) occur at 533.0-533.8 eV and bands of physisorbed (H 2O) groups on the surface of uranyl minerals ( H2O adsorb) occur at 534.8-535.2 eV. Treatment of uranyl minerals with acidic solutions results in a decrease in Usbnd Osbnd U and an increase in OH. Differences in the ratio of OH : Odbnd Udbnd O between the surface and bulk structure is larger for uranyl minerals with a high number of Usbnd Osbnd U and Tsbnd O species in the bulk structure which is explained by protonation of underbonded Usbnd O, Usbnd Osbnd U and Tsbnd O terminations on the surface. The difference in the ratio of H2O interst : Odbnd Udbnd O between the bulk and surface structures is larger for uranyl minerals with higher percentages of H2O

  3. Numerical study of the isotope effect in underdoped high-temperature superconductors: Calculation of the angle-resolved photoemission spectra

    NASA Astrophysics Data System (ADS)

    Mishchenko, A. S.; Nagaosa, N.

    2006-03-01

    We present a numerical study of the isotope effect on the angle resolved photoemission spectra (ARPES) in the undoped cuprates. By the systematic-error-free diagrammatic Monte Carlo method, the Lehman spectral function of a single hole in the tt't″-J model in the regime of intermediate and strong couplings to optical phonons is calculated for normal and isotope substituted systems. We found that the isotope effect is strongly energy-momentum dependent, and is anomalously enhanced in the intermediate coupling regime while it approaches that of the localized hole model in the strong coupling regime. We predict the strengths of effect as well as the fine details of the ARPES line shape change. Implications to the doped case are also discussed.

  4. Vibrationally resolved high-resolution NEXAFS and XPS spectra of phenanthrene and coronene

    SciTech Connect

    Fronzoni, Giovanna; Baseggio, Oscar; Stener, Mauro; Hua, Weijie; Tian, Guangjun; Luo, Yi; Apicella, Barbara; Alfé, Michela; Simone, Monica de; Kivimäki, Antti; Coreno, Marcello

    2014-07-28

    We performed a combined experimental and theoretical study of the C1s Near-Edge X-ray Absorption Fine-Structure (NEXAFS) spectroscopy and X-ray Photoelectron Spectroscopy in the gas phase of two polycyclic aromatic hydrocarbons (phenanthrene and coronene), typically formed in combustion reactions. In the NEXAFS of both molecules, a double-peak structure appears in the C1s → LUMO region, which differ by less than 1 eV in transition energies. The vibronic coupling is found to play an important role in such systems. It leads to weakening of the lower-energy peak and strengthening of the higher-energy one because the 0 − n (n > 0) vibrational progressions of the lower-energy peak appear in nearly the same region of the higher-energy peak. Vibrationally resolved theoretical spectra computed within the Frank-Condon (FC) approximation and linear coupling model agree well with the high-resolution experimental results. We find that FC-active normal modes all correspond to in-plane vibrations.

  5. Ab initio study of 2p core-level x-ray photoemission spectra in ferromagnetic transition metals

    NASA Astrophysics Data System (ADS)

    Takahashi, Manabu; Igarashi, Jun-Ichi

    2012-02-01

    We study the 2p core-level x-ray photoemission spectra in ferromagnetic transition metals, Fe, Co, and Ni using a recently developed ab initio method. The excited final states are set up by distributing electrons on the one-electron states calculated under the fully screened potential in the presence of the core hole. We evaluate the overlap between these excited states and the ground state by using one-electron wave functions, and obtain the spectral curves as a function of binding energy. The calculated spectra reproduce well the observed spectra displaying interesting dependence on the element and on the spin of the removed core electron. The origin of the spectral shapes is elucidated in terms of the one-electron states screening the core hole. The magnetic splitting of the threshold energy is also estimated by using the coherent potential approximation within the fully screened potential approximation. It decreases more rapidly than the local spin moment with moving from Fe to Ni. It is estimated to be almost zero for Ni despite the definite local moment about 0.6μB, in agreement with the experiment.

  6. Calculation of Resonant Photoemission and Auger Spectra in La2CuO4

    NASA Astrophysics Data System (ADS)

    Igarashi, Jun-ichi

    1990-05-01

    Cu 3p-resonant photoemission spectrum and Cu M23M45M45 Auger spectrum are calculated in detail on a cluster of (CuO6)10- and (CuO6)9- as a model for the high-Tc material La2-xSr(Ba)xCuO4. Various transition matrix elements are evaluated by using the Herman-Skillman potential on Cu and O atoms. A weak resonant enhancement of the satellite intensity exhibiting two-peak structure is obtained near Cu 3p-core level photothreshold, in addition to a large intensity of the main-band peak due to the direct transition from O atoms. It is shown that the p-d hybridization makes the satellite peaks broad, particularly the peak with lower binding energy. A strong hole doping is shown to give rise to little effect on the spectral shape with about 1 eV reduction of the Coulomb repulsion.

  7. Quantitative analysis of valence photoemission spectra and quasiparticle excitations at chromophore-semiconductor interfaces

    NASA Astrophysics Data System (ADS)

    Patrick, Christopher; Giustino, Feliciano

    2013-03-01

    Understanding electron energetics at interfaces between solids and molecules is a key challenge in many areas of nanotechnology research. Here we develop a quantitative theory of quasiparticle excitations at these interfaces and apply it to the prototypical dye-sensitized solar cell interface of N3 dye molecules adsorbed on the anatase TiO2 (101) surface.[2] Our approach combines density-functional calculations on large interface models, bulk GW calculations,[3] image charge renormalization, thermal broadening and configurational disorder to obtain a quasiparticle spectrum in good agreement with experimental photoemission data. Our calculations clarify the atomistic origin of the chromophore peak at low binding energy, and illustrate the dual role played by the TiO2 substrate in screening the quasiparticle states of the N3 molecule through both long-range image-charge effects and direct charge transfer via the covalently-bonded anchor groups. Work funded by the UK EPSRC and the ERC under the EU FP7/ERC Grant No. 239578. Calculations were performed at the Oxford Supercomputing Centre.

  8. Epitaxial growth of CeO{sub 2}(111) film on Ru(0001): Scanning tunneling microscopy (STM) and x-ray photoemission spectroscopy (XPS) study

    SciTech Connect

    Hasegawa, Tomo; Shahed, Syed Mohammad Fakruddin; Sainoo, Yasuyuki; Beniya, Atsushi; Isomura, Noritake; Watanabe, Yoshihide; Komeda, Tadahiro

    2014-01-28

    We formed an epitaxial film of CeO{sub 2}(111) by sublimating Ce atoms on Ru(0001) surface kept at elevated temperature in an oxygen ambient. X-ray photoemission spectroscopy measurement revealed a decrease of Ce{sup 4+}/Ce{sup 3+} ratio in a small temperature window of the growth temperature between 1070 and 1096 K, which corresponds to the reduction of the CeO{sub 2}(111). Scanning tunneling microscope image showed that a film with a wide terrace and a sharp step edge was obtained when the film was grown at the temperatures close to the reduction temperature, and the terrace width observed on the sample grown at 1060 K was more than twice of that grown at 1040 K. On the surface grown above the reduction temperature, the surface with a wide terrace and a sharp step was confirmed, but small dots were also seen in the terrace part, which are considerably Ce atoms adsorbed at the oxygen vacancies on the reduced surface. This experiment demonstrated that it is required to use the substrate temperature close to the reduction temperature to obtain CeO{sub 2}(111) with wide terrace width and sharp step edges.

  9. Electronic structure, photoemission spectra, and vacuum-ultraviolet optical spectra of CsPbCl3 and CsPbBr3

    NASA Astrophysics Data System (ADS)

    Heidrich, K.; Schäfer, W.; Schreiber, M.; Söchtig, J.; Trendel, G.; Treusch, J.; Grandke, T.; Stolz, H. J.

    1981-11-01

    Optical spectra of CsPbCl3 and CsPbBr3 have been measured in the range from 2 to 10 eV and have been combined with ultraviolet-photoemission-spectroscopy (UPS)-measurements at 21.1 and 40.8 eV. A quantitative band calculation is presented, which takes into account anion-anion interaction as well as electronic states of the Cs+ ion. The prominent features of earlier band models and measurements are reestablished through our measurements and calculations, namely that the valence band consists of anionic p functions and Pb 6s functions, the lowest conduction band being Pb 6p type, and the lowest gap occuring at the R point of the Brillouin zone. Inclusion of a further (Cs 6s-type) conduction band, however, is necessary to bring the calculated joint density of states into agreement with vacuum-ultraviolet optical spectra. The calculated densities of states of the valence bands are in quantitative agreement with those deduced from our UPS measurements.

  10. Angle-resolved photoemission spectra, electronic structure and spin dependent scattering in Ni_1-xFex permalloys

    NASA Astrophysics Data System (ADS)

    Sahrakorpi, S.; Mijnarends, P. E.; Lindroos, M.; Bansil, A.

    2002-03-01

    We present the all electron charge and spin self-consistent electronic structure of Ni_1-xFex permalloys for a range of Fe concentrations, using the first principles Korringa-Kohn-Rostoker coherent potential approximation (KKR-CPA) scheme to treat disorder and the local spin density (LSD) approximation to incorporate exchange-correlation effects. Recent high resolution angle-resolved photoemission spectroscopy (ARPES) experiments on Ni_0.90Fe_0.10 and Ni_0.80Fe_0.20 permalloys are analyzed in terms of the spectral density function, A_B( k_allel, k_⊥= 0,E_F), computed from the KKR-CPA Green function for k_allel values varying along the Γ-K direction in the Brillouin zone (BZ). The widths of the majority as well as the minority spin peaks in the theoretical spectra are in excellent accord with the corresponding ARPES results in all cases, suggesting that spin-dependent disorder scattering constitutes the main scattering mechanism for the carriers in the permalloys. Majority spin states of Ni are virtually undamped by the Fe impurities, while the minority spins at the Fermi energy (E_F) are heavily damped. The nature of the Ni and Fe potentials in the permalloys is explored in detail. The effective disorder parameter in the alloy is found to be strongly dependent on the energy, momentum, spin and symmetry of the specific states involved. The evolution of the electronic states on the Ni and Fe sites as a function of Fe concentration is discussed. The magnetic moments on Ni as well as on Fe are found to remain essentially unchanged with increasing Fe content.

  11. Fingerprints of the hydrogen bond in the photoemission spectra of croconic acid condensed phase: An x-ray photoelectron spectroscopy and ab-initio study

    SciTech Connect

    Bisti, F.; Stroppa, A.; Picozzi, S.; Ottaviano, L.

    2011-05-07

    The electronic structure of Croconic Acid in the condensed phase has been studied by comparing core level and valence band x-ray photoelectron spectroscopy experiments and first principles density functional theory calculations using the Heyd-Scuseria-Ernzerhof screened hybrid functional and the GW approximation. By exploring the photoemission spectra for different deposition thicknesses, we show how the formation of the hydrogen bond network modifies the O 1s core level lineshape. Moreover, the valence band can be explained only if the intermolecular interactions are taken into account in the theoretical approach.

  12. Recent advances in the practical and accurate calculation of core and valence XPS spectra of polymers: From interpretation to simulation?

    NASA Astrophysics Data System (ADS)

    Bureau, Christophe; Chong, Delano P.; Endo, Kazunaka; Delhalle, Joseph; Lecayon, Gérard; Le Moël, Alain

    1997-08-01

    Core and valence X-ray Photoelectron Spectroscopies (XPS) are routinely used to obtain information on the chemical composition, bonding and homogeneity of polymer surfaces. In spite of their apparent conceptual simplicity, Core and Valence Electron Binding Energies (CEBEs and VEBEs) a few electron-volts (eV) or fractions of an eV apart are difficult to interpret. We present some results obtained with various recent theoretical approaches. An emphasis is made on a procedure based on the Density Functional Theory (DFT) that enables the calculation of CEBEs and VEBEs which are in remarkable agreement with experiment. The method has been tested on numerous small (3-6 atoms) to fairly large (15-25 atoms) molecules, and shows an average absolute deviation with experiment of only 0.20 eV for CEBEs and 0.30 eV for VEBEs, i.e. compatible with the resolution of the best XPS experiments carried out at the moment. Besides the quality of its predictions, the procedure takes advantage of the speed and CPU time scaling of DFT as a function of system size: it is computationally tractable, even for surprisingly large systems such as polymers, and may be an interesting accurate alternative to interpret and simulate XPS-probing on real systems. We illustrate the usefullness and pitfalls of this approach in fundamental as well as applied fields such as in the study of Polyacrylonitrile (PAN), Polytetrafluoroethylene (PTFE), Polyvinyldifluoride (PVdF) and γ-Aminopropyltriethoxysilane (γ-APS, an adhesion promoter).

  13. Intensity analysis of XPS spectra to determine oxide uniformity - Application to SiO2/Si interfaces

    NASA Technical Reports Server (NTRS)

    Vasquez, R. P.; Grunthaner, F. J.

    1980-01-01

    A simple method of determining oxide uniformity is derived which requires no knowlege of film thickness, escape depth, or film composition. The method involves only the measurement of oxide and substrate intensities and is illustrated by analysis of XPS spectral data for thin SiO2 films grown both thermally and by low-temperature chemical vapor deposition on monocrystalline Si. A region 20-30 A thick is found near the SiO2/Si interface on thermally oxidized samples which has an inelastic mean free path 35% less than that found in the bulk oxide. This is interpreted as being due to lattice mismatch resulting in a strained region which is structurally, but not stoichiometrically, distinct from the bulk oxide.

  14. Intensity analysis of XPS spectra to determine oxide uniformity - Application to SiO2/Si interfaces

    NASA Technical Reports Server (NTRS)

    Vasquez, R. P.; Grunthaner, F. J.

    1980-01-01

    A simple method of determining oxide uniformity is derived which requires no knowlege of film thickness, escape depth, or film composition. The method involves only the measurement of oxide and substrate intensities and is illustrated by analysis of XPS spectral data for thin SiO2 films grown both thermally and by low-temperature chemical vapor deposition on monocrystalline Si. A region 20-30 A thick is found near the SiO2/Si interface on thermally oxidized samples which has an inelastic mean free path 35% less than that found in the bulk oxide. This is interpreted as being due to lattice mismatch resulting in a strained region which is structurally, but not stoichiometrically, distinct from the bulk oxide.

  15. Evidence for phonon-like charge and spin fluctuations from an analysis of angle-resolved photoemission spectra of La2-xSrxCuO4 superconductors

    NASA Astrophysics Data System (ADS)

    Mazza, G.; Grilli, M.; Di Castro, C.; Caprara, S.

    2013-01-01

    In high temperature superconductors we provide evidence of spin and mixed phonon-charge collective modes as mediators of the effective electron-electron interaction and suggestive of a charge and spin density wave instability competing with superconductivity. Indeed, we show that the so-called kinks and waterfalls observed in angle-resolved photoemission spectra of La2-xSrxCuO4, a prototypical high-Tc superconducting cuprate, are due to the coupling of quasiparticles with two distinct nearly critical collective modes with finite characteristic wave vectors, typical of charge and spin fluctuations. The simultaneous presence of these two modes reconciles the long standing dichotomy whether kinks are due to phonons or spin waves.

  16. Molecular engineering in symmetric end-substituted oligothiophene derivatives: analysis of condensed-phase photoemission spectra using semiempirical Hartree-Fock calculations.

    PubMed

    Kushto, Gary P; Watkins, Neil J; Mäkinen, Antti J; Kafafi, Zakya H

    2007-05-31

    The electronic structures of two series of end-capped thiophene oligomers, one set containing the electron-deficient dimesitylboryl end-cap and one containing the electron-rich triaryl amine end-cap, have been modeled using semiempirical quantum chemical calculations and the results used to assign features in the photoemission spectra of the materials in the condensed phase. For the thiophene oligomers end-capped with the electron-deficient dimesitylboryl moieties, the energy of the occupied frontier orbitals is largely governed by pi-type orbitals of the thiophene repeat units in the oligothiophene main chain. Conversely, in oligomers end-capped with electron-rich triarylamine moieties, the occupied frontier orbital energies are largely governed by orbital states of heavily mixed character associated with thiophene pi-type systems and the low-lying nitrogen lone pairs of end capping groups.

  17. Iron resonant photoemission spectroscopy on anodized hematite points to electron hole doping during anodization.

    PubMed

    Braun, Artur; Chen, Qianli; Flak, Dorota; Fortunato, Giuseppino; Gajda-Schrantz, Krisztina; Grätzel, Michael; Graule, Thomas; Guo, Jinghua; Huang, Tzu-Wen; Liu, Zhi; Popelo, Anastasiya V; Sivula, Kevin; Wadati, Hiroki; Wyss, Pradeep P; Zhang, Liang; Zhu, Junfa

    2012-08-27

    Anodization of α-Fe(2)O(3) (hematite) electrodes in alkaline electrolyte under constant potential conditions the electrode surface in a way that an additional current wave occurs in the cyclic voltammogram. The energy position of this current wave is closely below the potential of the anodization treatment. Continued cycling or exchanging of the electrolyte causes depletion of this new feature. The O 1s and Fe 2p core-level X-ray photoelectron spectra (XPS) and near-edge X-ray absorption fine structure (NEXAFS) spectra of such conditioned hematite exhibit a chemical shift towards higher binding energies, in line with the general perception that anodization generates oxide species with dielectric properties. The valence band XPS and particularly the iron resonant valence band photoemission spectra, however, are shifted towards the opposite direction, that is, towards the Fermi energy, suggesting that hole doping on hematite has taken place during anodization. Quantitative analysis of the Fe 2p resonant valence band photoemission spectra shows that the spectra obtained at the Fe 2p absorption threshold are shifted by virtually the same energy as the anodization potential towards the Fermi energy. The tentative interpretation of this observation is that anodization forms a surface film on the hematite that is specific to the anodization potential.

  18. Effects of CeO2 on the XPS valence band spectra of coal under the combustion initialization stage at 400°C

    NASA Astrophysics Data System (ADS)

    Qi, Cheng-lin; Zhang, Jian-liang; Ma, Chao; Feng, Gen-sheng; Song, Zhong-ping

    2013-04-01

    In order to get the catalytic mechanism of CeO2 on graphite and coal at 400°C, the morphologies of coal, graphite, and CeO2 before and after combustion were analyzed through X-ray photoelectron spectroscopy (XPS). It is found that the particle size of coal is mostly between 11.727 and 64.79 μm, while the particle size of CeO2 is between 1.937 and 11.79 μm. The agglomeration of coal and CeO2 can be seen by scanning electron microscopy (SEM) after reaction. XPS results show that with the addition of CeO2, the intensity of binding energy gets stronger, but there is no energy peak transition. Comparing the character of coal with and without the addition of CeO2, it can be seen that the C-C bond fractures first at 400°C, while the C-H energy-band takes electrons at the same time to be far away from the Fermi level, and the O 2s, O 2p, and C sp hybrid orbitals are all excited. Adding CeO2 can enhance the activity of the whole coal. In addition, through XPS analysis, combined with the oxygen transfer theory and the electron transfer theory, the catalytic mechanism of CeO2 for pulverized coal combustion could be obtained.

  19. The influence of oxygen adsorption on the NEXAFS and core-level XPS spectra of the C{sub 60} derivative PCBM

    SciTech Connect

    Brumboiu, Iulia Emilia Eriksson, Olle; Brena, Barbara; Ericsson, Leif; Hansson, Rickard; Moons, Ellen

    2015-02-07

    Fullerenes have been a main focus of scientific research since their discovery due to the interesting possible applications in various fields like organic photovoltaics (OPVs). In particular, the derivative [6,6]-phenyl-C{sub 60}-butyric acid methyl ester (PCBM) is currently one of the most popular choices due to its higher solubility in organic solvents compared to unsubstituted C{sub 60}. One of the central issues in the field of OPVs is device stability, since modules undergo deterioration (losses in efficiency, open circuit voltage, and short circuit current) during operation. In the case of fullerenes, several possibilities have been proposed, including dimerization, oxidation, and impurity related deterioration. We have studied by means of density functional theory the possibility of oxygen adsorption on the C{sub 60} molecular moiety of PCBM. The aim is to provide guidelines for near edge X-ray absorption fine structure (NEXAFS) and X-ray photoelectron spectroscopy (XPS) measurements which can probe the presence of atomic or molecular oxygen on the fullerene cage. By analysing several configurations of PCBM with one or more adsorbed oxygen atoms, we show that a joint core level XPS and O1s NEXAFS investigation could be effectively used not only to confirm oxygen adsorption but also to pinpoint the bonding configuration and the nature of the adsorbate.

  20. Momentum resolution in inverse photoemission

    SciTech Connect

    Zumbülte, A.; Schmidt, A. B.; Donath, M.

    2015-01-15

    We present a method to determine the electron beam divergence, and thus the momentum resolution, of an inverse-photoemission setup directly from a series of spectra measured on Cu(111). Simulating these spectra with different beam divergences shows a distinct influence of the divergence on the appearance of the Shockley surface state. Upon crossing the Fermi level, its rise in intensity can be directly linked with the beam divergence. A comparison of measurement and simulation enables us to quantify the momentum resolution independent of surface quality, energy resolution, and experimental geometry. With spin resolution, a single spectrum taken around the Fermi momentum of a spin-split surface state, e.g., on Au(111), is sufficient to derive the momentum resolution of an inverse-photoemission setup.

  1. Hard x-ray photoemission spectroscopy on the trilayer system MgO/Au/Fe using standing-wave excitation

    NASA Astrophysics Data System (ADS)

    Döring, S.; Schönbohm, F.; Berges, U.; Bürgler, D. E.; Schneider, C. M.; Gorgoi, M.; Schäfers, F.; Westphal, C.

    2013-09-01

    The trilayer system MgO/Au monolayer/Fe was investigated by hard x-ray photoemission experiments in combination with the standing-wave technique. The insertion of the Au layer into the Fe/MgO tunnel junction provides an additional handle to influence the properties of the interface. The recently explored method of standing-wave excited hard x-ray photoemission was used to investigate both the structural properties and chemical states of the interfacial layers in one experiment. The results show that the Au monolayer does not grow as a closed layer, but intermixes strongly with the Fe below. This behaviour results in a very sharp interface between the Au/Fe and the MgO layer on top. However, the XPS spectra show no hint for a formation of FeO at the interface.

  2. High-Energy Anomaly in the Angle-Resolved Photoemission Spectra of Nd2-xCexCuO4: Evidence for a Matrix Element Effect

    NASA Astrophysics Data System (ADS)

    Rienks, E. D. L.; ńrrälä, M.; Lindroos, M.; Roth, F.; Tabis, W.; Yu, G.; Greven, M.; Fink, J.

    2014-09-01

    We use polarization-dependent angle-resolved photoemission spectroscopy (ARPES) to study the high-energy anomaly (HEA) in the dispersion of Nd2-xCexCuO4, x =0.123. We find that at particular photon energies the anomalous, waterfall-like dispersion gives way to a broad, continuous band. This suggests that the HEA is a matrix element effect: it arises due to a suppression of the intensity of the broadened quasiparticle band in a narrow momentum range. We confirm this interpretation experimentally, by showing that the HEA appears when the matrix element is suppressed deliberately by changing the light polarization. Calculations of the matrix element using atomic wave functions and simulation of the ARPES intensity with one-step model calculations provide further evidence for this scenario. The possibility to detect the full quasiparticle dispersion further allows us to extract the high-energy self-energy function near the center and at the edge of the Brillouin zone.

  3. Universal High Energy Anomaly in the Angle-Resolved Photoemission Spectra of High Temperature Superconductors: Possible Evidence of Spinon and Holon Branches

    NASA Astrophysics Data System (ADS)

    Graf, J.; Gweon, G.-H.; McElroy, K.; Zhou, S. Y.; Jozwiak, C.; Rotenberg, E.; Bill, A.; Sasagawa, T.; Eisaki, H.; Uchida, S.; Takagi, H.; Lee, D.-H.; Lanzara, A.

    2007-02-01

    A universal high energy anomaly in the single particle spectral function is reported in three different families of high temperature superconductors by using angle-resolved photoemission spectroscopy. As we follow the dispersing peak of the spectral function from the Fermi energy to the valence band complex, we find dispersion anomalies marked by two distinctive high energy scales, E1≈0.38eV and E2≈0.8eV. E1 marks the energy above which the dispersion splits into two branches. One is a continuation of the near parabolic dispersion, albeit with reduced spectral weight, and reaches the bottom of the band at the Γ point at ≈0.5eV. The other is given by a peak in the momentum space, nearly independent of energy between E1 and E2. Above E2, a bandlike dispersion reemerges. We conjecture that these two energies mark the disintegration of the low-energy quasiparticles into a spinon and holon branch in the high Tc cuprates.

  4. Extracting the spectral function of the cuprates by a full two-dimensional analysis: Angle-resolved photoemission spectra of Bi2Sr2CuO6

    SciTech Connect

    Meevasana, W.

    2010-04-30

    Recently, angle-resolved photoemission spectroscopy (ARPES) has revealed a dispersion anomaly at high binding energy near 0.3-0.5 eV in various families of the high-temperature superconductors. For further studies of this anomaly we present a new two-dimensional fitting-scheme and apply it to high-statistics ARPES data of the strongly-overdoped Bi{sub 2}Sr{sub 2}CuO{sub 6} cuprate superconductor. The procedure allows us to extract the self-energy in an extended energy and momentum range. It is found that the spectral function of Bi{sub 2}Sr{sub 2}CuO{sub 6} can be parameterized using a small set of tight-binding parameters and a weakly-momentum-dependent self-energy up to 0.7 eV in binding energy and over the entire first Brillouin zone. Moreover the analysis gives an estimate of the momentum dependence of the matrix element, a quantity, which is often neglected in ARPES analyses.

  5. Photoemission studies of semiconductor nanocrystals

    SciTech Connect

    Hamad, K. S.; Roth, R.; Alivisatos, A. P.

    1997-04-01

    Semiconductor nanocrystals have been the focus of much attention in the last ten years due predominantly to their size dependent optical properties. Namely, the band gap of nanocrystals exhibits a shift to higher energy with decreasing size due to quantum confinement effects. Research in this field has employed primarily optical techniques to study nanocrystals, and in this respect this system has been investigated extensively. In addition, one is able to synthesize monodisperse, crystalline particles of CdS, CdSe, Si, InP, InAs, as well as CdS/HgS/CdS and CdSe/CdS composites. However, optical spectroscopies have proven ambiguous in determining the degree to which electronic excitations are interior or surface admixtures or giving a complete picture of the density of states. Photoemission is a useful technique for understanding the electronic structure of nanocrystals and the effects of quantum confinement, chemical environments of the nanocrystals, and surface coverages. Of particular interest to the authors is the surface composition and structure of these particles, for they have found that much of the behavior of nanocrystals is governed by their surface. Previously, the authors had performed x-ray photoelectron spectroscopy (XPS) on CdSe nanocrystals. XPS has proven to be a powerful tool in that it allows one to determine the composition of the nanocrystal surface.

  6. Calcination products of gibbsite studied by X-ray diffraction, XPS and solid-state NMR

    SciTech Connect

    Malki, A.; Mekhalif, Z.; Detriche, S.; Fonder, G.; Boumaza, A.; Djelloul, A.

    2014-07-01

    The changes caused by heat treatment of gibbsite powder at 300–1473 K were studied using the X-ray diffraction (XRD), X-ray photoemission (XPS) spectra and {sup 27}Al magic angle spinning nuclear magnetic resonance spectroscopy ({sup 27}Al MAS NMR). XRD analysis indicates that the transformation sequence involves the formation of κ-Al{sub 2}O{sub 3} as an intermediate phase between χ- and α-Al{sub 2}O{sub 3}. The crystallite size of χ-Al{sub 2}O{sub 3} is as small as 10 nm. XPS analysis indicates that the ratio of aluminium atoms to oxygen atoms in χ-Al{sub 2}O{sub 3} and κ-Al{sub 2}O{sub 3} increases, whereas the expected ratio is observed in α-Al{sub 2}O{sub 3}. The percentage of AlO{sub 4} units in the transition aluminas follows the same behaviour as the ratio of Al/O. - Graphical abstract: The percentage of AlO{sub 4} units in transition aluminas follows the same behaviour as the ratio of Al/O. - Highlights: • Calcination products of gibbsite studied by XRD, XPS and solid-state NMR. • The crystallite size of χ-Al{sub 2}O{sub 3} is as small as 10 nm. • The Al/O atomic ratio determined by XPS is larger than 2/3 in χ-Al{sub 2}O{sub 3} and κ-Al{sub 2}O{sub 3}. • The percentage of AlO{sub 4} in the aluminas follows the same behaviour as the Al/O atomic ratio.

  7. X-PEEM, XPS and ToF-SIMS characterisation of xanthate induced chalcopyrite flotation: Effect of pulp potential

    NASA Astrophysics Data System (ADS)

    Kalegowda, Yogesh; Chan, Yuet-Loy; Wei, Der-Hsin; Harmer, Sarah L.

    2015-05-01

    Synchrotron-based X-ray photoemission electron microscopy (X-PEEM), X-ray photo-electron spectroscopy (XPS), time-of-flight secondary ion mass spectrometry (ToF-SIMS) and ultraviolet visible spectroscopy were used to characterize the flotation behaviour of chalcopyrite with xanthate at different processing conditions. The flotation recovery of chalcopyrite decreased from 97% under oxidative conditions (Eh ~ 385 mV SHE, pH 4) to 41% at a reductive potential of - 100 mV SHE (at pH 9). X-PEEM images constructed from the metal L3 absorption edges were used to produce near-edge X-ray absorption fine structure (NEXAFS) spectra from regions of interest, allowing the variability in mineral surface chemistry of each mineral particle to be analysed, and the effect of pulp potential (Eh) on the flotation of chalcopyrite to be determined. XPS, ToF-SIMS and NEXAFS analyses of chalcopyrite particles at oxidative conditions show that the surface was mildly oxidised and covered with adsorbed molecular CuEX. The Cu 2p XPS and Cu L2,3 NEXAFS spectra were dominated by CuI species attributed to bulk chalcopyrite and adsorbed CuEX. At a reductive potential of - 100 mV SHE, an increase in concentration of CuI and FeIII oxides and hydroxides was observed. X-PEEM analysis was able to show the presence of a low percentage of CuII oxides (CuO or Cu(OH)2) with predominantly CuI oxide (Cu2O) which is not evident in Cu 2p XPS spectra.

  8. UHV-MOCVD growth of TiO 2 on SiO x/Si(1 1 1): Interfacial properties reflected in the Si 2p photoemission spectra

    NASA Astrophysics Data System (ADS)

    Karlsson, P. G.; Richter, J. H.; Andersson, M. P.; Blomquist, J.; Siegbahn, H.; Uvdal, P.; Sandell, A.

    2005-04-01

    Metal-organic chemical vapour deposition growth of titanium oxide on moderately pre-oxidised Si(1 1 1) using the titanium(IV) isopropoxide precursor has been studied for two different growth modes, reaction-limited growth at 300 °C and flux-limited growth at 500 °C. The interfacial properties have been characterized by monitoring synchrotron radiation excited Si 2p photoemission spectra. The cross-linking from oxidised Si to bulk Si after TTIP exposure has been found to be very similar to that of SiO x/Si(1 1 1). However, the results show that the additional oxidation of Si most probably causes a corrugation of the SiO x/Si interface. Those conclusions are valid for both growth modes. A model is introduced in which the amorphous interface region is described as (TiO 2) x(SiO 2) y where x and y changes linearly and continuously over the interface. The model quantifies how (TiO 2) x(SiO 2) y mixing changes the relative intensities of the signals from silicon oxide and silicon. The method can be generalised and used for the analyses of other metal-oxides on silicon.

  9. Valence photoemission spectra of aqueous Fe(2+/3+) and [Fe(CN)6](4-/3-) and their interpretation by DFT calculations.

    PubMed

    Seidel, Robert; Thürmer, Stephan; Moens, Jan; Geerlings, Paul; Blumberger, Jochen; Winter, Bernd

    2011-10-13

    Aqueous solutions of ferrous and ferric iron (Fe(2+/3+)) and of the iron-hexacyano complexes [Fe(CN)(6)](4-/3-) are studied by photoelectron spectroscopy using a liquid microjet in conjunction with synchrotron soft X-rays for ionization. For Fe(2+)(aq) we observe two well-resolved peaks at 7.09 and 9.16 eV electron binding energy (BE) that can be assigned to the iron-hexaaquo complex. For Fe(3+)(aq) we observe only one peak above the highest valence band of liquid water, at 10.08 eV BE. Interpreting the spectra in terms of the one-electron levels of Kohn-Sham density functional theory, we find that the two peaks for Fe(2+)(aq) originate from the energy splitting between the highest occupied β (= minority) spin level (Fe d(t(2g))) and the five highest occupied α (= majority) spin levels (Fe d(t(2g)) and d(e(g))). The peak for Fe(3+)(aq) arises from d-levels that are strongly mixed with the solvent. The spectra of the aqueous hexacyano complexes show a single strong peak at 6.11 and 7.52 eV BE for [Fe(CN)(6)](4-) and [Fe(CN)(6)](3-), respectively, originating from the highest occupied Fe d(t(2g)) levels, and two further peaks at higher BE originating from the cyano ligands. The PE spectra of the reduced aquo and cyano ions are then used to obtain-solely on experimental grounds-values for the reorganization free energy of the oxidized ions. DFT/continuum calculations of this important parameter in the Marcus theory of oxidation reactions are in fairly good agreement with experiment.

  10. In-situ X-ray Photoemission Spectroscopy Study of Atomic Layer Deposition of TiO2 on Silicon Substrate

    NASA Astrophysics Data System (ADS)

    Youb Lee, Seung; Jeon, Cheolho; Kim, Seok Hwan; Kim, Yooseok; Jung, Woosung; An, Ki-Seok; Park, Chong-Yun

    2012-03-01

    In-situ X-ray photoemission spectroscopy (XPS) has been used to investigate the initial stages of TiO2 growth on a Si(001) substrate by atomic layer deposition (ALD). The core level spectra of Si 2p, C 1s, O 1s, and Ti 2p were measured at every half reaction in the titanium tetra-isopropoxide (TTIP)-H2O ALD process. The ligand exchange reactions were verified using the periodic oscillation of the C 1s concentration, as well as changes in the hydroxyl concentration. XPS analysis revealed that Ti2O3 and Si oxide were formed at the initial stages of TiO2 growth. A stoichiometric TiO2 layer was dominantly formed after two cycles and was chemically saturated after four cycles.

  11. In-situ X-ray Photoemission Spectroscopy Study of Atomic Layer Deposition of TiO2 on Silicon Substrate

    NASA Astrophysics Data System (ADS)

    Lee, Seung Youb; Jeon, Cheolho; Kim, Seok Hwan; Kim, Yooseok; Jung, Woosung; An, Ki-Seok; Park, Chong-Yun

    2012-03-01

    In-situ X-ray photoemission spectroscopy (XPS) has been used to investigate the initial stages of TiO2 growth on a Si(001) substrate by atomic layer deposition (ALD). The core level spectra of Si 2p, C 1s, O 1s, and Ti 2p were measured at every half reaction in the titanium tetra-isopropoxide (TTIP)--H2O ALD process. The ligand exchange reactions were verified using the periodic oscillation of the C 1s concentration, as well as changes in the hydroxyl concentration. XPS analysis revealed that Ti2O3 and Si oxide were formed at the initial stages of TiO2 growth. A stoichiometric TiO2 layer was dominantly formed after two cycles and was chemically saturated after four cycles.

  12. Photoemission study of Li@C60

    NASA Astrophysics Data System (ADS)

    Yagi, Hajime; Ogasawara, Naoko; Zenki, Masashi; Miyazaki, Takafumi; Hino, Shojun

    2016-05-01

    Ultraviolet and X-ray photoelectron spectra (UPS and XPS) of thin films prepared by either depositing or applying [Li@C60]+(PF6)- on the substrates are presented. The UPS and XPS of [Li@C60]+(PF6)- applied films suggest that PF6- anions come out from the surface by annealing at 250 °C. The UPS and XPS of the deposited thin films indicate that the film does not contain PF6- anion but is composed of only Li@C60. Changing the sublimation temperature reveals that encapsulated Li cations begin to escape from the C60 cage when heated above 550 °C.

  13. Rondorfite-type structure — XPS and UV–vis study

    SciTech Connect

    Dulski, M.; Bilewska, K.; Wojtyniak, M.; Szade, J.; Kusz, J.; Nowak, A.; Wrzalik, R.; and others

    2015-10-15

    Highlights: • Structural and spectroscopic characterization of chlorosilicate mineral, rondorfite. • Characterization of main photoemission lines and valence band spectra. • The study of color origin’s using UV–vis spectroscopy. • Analysis of structural changes in context of origin of natural fluorescence. • Discussion of a new application possibilities of analyzed mineral - Abstract: This paper focuses on X-ray diffraction, X-ray photoelectron and UV–vis spectroscopy of two different (green, orange) rondorfite samples. The differences in the sample color originate from various O/Cl ratios. The orange color was found to be related either to the isomorphic substitution of Fe{sup 3+}/Al{sup 3+} for Mg{sup 2+}, the presence of atypical [MgO{sub 4}] tetrahedrons in crystal structure or electronegativity of the sample. The tetrahedron is known to be very prone to accumulation of impurities and substitute atoms. Moreover, the XPS data showed tetrahedrally coordinated Mg{sup 2+} and isomorphic substitution of Al{sup 3+}/Fe{sup 3+} for Mg{sup 2+}, which influences local disordering and the point defects density and distribution. Non-equilibrium chlorine positions inside the crystal cages as well as Ca-Cl bonds have also been found. The XPS measurements as a function of temperature indicate occurrence of a structural transformation at about 770 K which is accompanied by a rotation of silicate tetrahedra within magnesiosilicate pentamer and luminescence disappearance.

  14. Core-level Photoemission Study for Cuprates with a Dynamical Mean-Field Approach Considering Realistic Crystal Structure

    NASA Astrophysics Data System (ADS)

    Hariki, Atsushi; Uozumi, Takayuki

    2013-03-01

    Recently, remarkable experimental progress reveals some characteristic spectral features in the 2p3/2main line of Cu 2p core-level X-ray photoemission spectra (XPS). The structures show strong material dependence and drastic changes for electron or hole doping. Van Veenendaal et al., pointed out that the main line shape is strongly affected by the so-called nonlocal screening which is accompanied by a formation of a Zhang-Rice singlet (ZRS) in the XPS final state. On the other hand, Taguchi et al., shows these features are reproduced by introducing an phenomenological extended impurity model. We consider that this topic on 2pXPS of cuprates still remain controversial. In this study, we propose another approach based on the dynamical mean field theory(DMFT) considering the realistic crystal structure. Many-particle effects including the ZRS is appropriately embedded in the hybridization function of a single impurity Anderson model through the DMFT self-consistent cycle. Our approach reproduces experimental results and shows that the Cu 2p3/2 main line is closely related with the quasi-particle structure near the Fermi energy.

  15. Crystal momentum dependence of the correlation satellite intensity in the 3p → 3d resonant photoemission spectra of Bi2Sr2CaCu2O8 + δ

    NASA Astrophysics Data System (ADS)

    Goldoni, A.; Corradini, V.; del Pennino, U.; Sangalli, P.; Parmigiani, F.; Avila, J.; Teodorescu, C.

    2000-05-01

    Angle-resolved resonant photoemission measurements at the Cu3p → Cu3d threshold have been performed on the superconducting cuprate Bi2Sr2CaCu2O8 + δ. We have investigated in particular the correlation satellite appearing in the valence band photoemission spectrum to investigate the effect of solid state on the interference effect occurring at resonance. We found that the intensity of the correlation satellite changes with the electron take-off angle in a way that depends on the particular crystallographic direction and on the sample hole doping. These results indicate that the intensity enhancement at the absorption edge is a real resonance albeit the intermediate state in the autoionization process is partly delocalised. This fact does not prevent the occurrence of interference between indirect and direct photoemission.

  16. Direct characterization of the energy level alignments and molecular components in an organic hetero-junction by integrated photoemission spectroscopy and reflection electron energy loss spectroscopy analysis

    NASA Astrophysics Data System (ADS)

    Yun, Dong-Jin; Shin, Weon-Ho; Bulliard, Xavier; Park, Jong Hwan; Kim, Seyun; Chung, Jae Gwan; Kim, Yongsu; Heo, Sung; Kim, Seong Heon

    2016-08-01

    A novel, direct method for the characterization of the energy level alignments at bulk-heterojunction (BHJ)/electrode interfaces on the basis of electronic spectroscopy measurements is proposed. The home-made in situ photoemission system is used to perform x-ray/ultraviolet photoemission spectroscopy (XPS/UPS), reflection electron energy loss spectroscopy (REELS) and inverse photoemission spectroscopy of organic-semiconductors (OSCs) deposited onto a Au substrate. Through this analysis system, we are able to obtain the electronic structures of a boron subphthalocyanine chloride:fullerene (SubPC:C60) BHJ and those of the separate OSC/electrode structures (SubPC/Au and C60/Au). Morphology and chemical composition analyses confirm that the original SubPC and C60 electronic structures remain unchanged in the electrodes prepared. Using this technique, we ascertain that the position and area of the nearest peak to the Fermi energy (EF = 0 eV) in the UPS (REELS) spectra of SubPC:C60 BHJ provide information on the highest occupied molecular orbital level (optical band gap) and combination ratio of the materials, respectively. Thus, extracting the adjusted spectrum from the corresponding SubPC:C60 BHJ UPS (REELS) spectrum reveals its electronic structure, equivalent to that of the C60 materials. This novel analytical approach allows complete energy-level determination for each combination ratio by separating its electronic structure information from the BHJ spectrum.

  17. PHOTOEMISSION PROPERTIES OF LEAD.

    SciTech Connect

    SMEDLEY,J.; RAO,T.; WARREN,J.; SEKUTOWICZ,J.; LEFFERTS,R.; LIPSKI,A.

    2004-07-05

    In this paper we present a study of the photoemission properties of lead at several UV wavelengths, including a study of the damage threshold of electroplated lead under laser cleaning. A quantum efficiency in excess of 0.1% has been achieved for a laser cleaned, electroplated lead sample with a laser wavelength of 193 nm. Niobium cathodes have been measured for comparison, and lead is found to be a superior photoemitter for all measured wavelengths.

  18. Two photon photoemission of deposited silver clusters

    NASA Astrophysics Data System (ADS)

    Busolt, U.; Cottancin, E.; Röhr, H.; Socaciu, L.; Leisner, T.; Wöste, L.

    We use time resolved two photon photoemission to study the stability of size selected silver clusters deposited onto highly oriented pyrolytic graphite (HOPG) substrates. Size-selected Agn+ clusters (n=2-9) are deposited at low coverage onto HOPG surfaces at liquid nitrogen temperatures. After deposition, the samples are irradiated by a series of ultrashort laser pulse pairs. Photoelectrons created by two photon photoemission are collected in a magnetic bottle type time-of-flight photoelectron spectrometer. Their kinetic energy distribution is recorded as a function of the delay time between subsequent light pulses. With the exception of Ag3 the size dependence of the photoelectron spectra reveals a pronounced odd/even effect, which is well known for gas phase silver clusters. This indicates that the deposited clusters retain their size and identity on the sample. The lifetime of the photoexcitation rises with cluster size. This is attributed to an increasing electronic density of states for larger clusters.

  19. Angle-resolved photoemission extended fine structure

    SciTech Connect

    Barton, J.J.

    1985-03-01

    Measurements of the Angle-Resolved Photoemission Extended Fine Structure (ARPEFS) from the S(1s) core level of a c(2 x 2)S/Ni(001) are analyzed to determine the spacing between the S overlayer and the first and second Ni layers. ARPEFS is a type of photoelectron diffraction measurement in which the photoelectron kinetic energy is swept typically from 100 to 600 eV. By using this wide range of intermediate energies we add high precision and theoretical simplification to the advantages of the photoelectron diffraction technique for determining surface structures. We report developments in the theory of photoelectron scattering in the intermediate energy range, measurement of the experimental photoemission spectra, their reduction to ARPEFS, and the surface structure determination from the ARPEFS by combined Fourier and multiple-scattering analyses. 202 refs., 67 figs., 2 tabs.

  20. XPS studies of chemically modified banana fibers.

    PubMed

    Pothan, L A; Simon, F; Spange, S; Thomas, S

    2006-03-01

    Banana fibers obtained from the sheath of the banana plant (Musa Sapientum) whose major constituent is cellulose were modified using various chemical agents in order to improve their compatibility with the polymer matrix. The change in the surface composition of the raw and chemically modified fiber was investigated using various techniques such as solvatochromism, electrokinetic measurements, and XPS. Surface characterization by XPS showed the presence of numerous elements on the surface of the fiber. Investigation of the surface after alkali treatment on the other hand showed the removal of most of the elements. Silane treatment was found to introduce a considerable amount of silicon on the surface of the fiber. The [O]/[C] ratio was found to decrease in all cases except for the fluorinated and vinyl silane treated fibers. Detailed investigation of the deconvoluted C 1s spectra revealed the change in the percentage atomic concentration of the various elements on the fiber surface. The dissolution of the various surface components by alkali treatment, which was earlier revealed by SEM, was further confirmed by XPS. The XPS results were found to perfectly agree with the solvatochromic and electrokinetic measurements.

  1. Inverse photoemission of adsorbed xenon multilayers on Ru(001): Refutation of final-state screening effects

    NASA Astrophysics Data System (ADS)

    Wandelt, K.; Jacob, W.; Memmel, N.; Dose, V.

    1986-09-01

    In this Letter we describe photoemission and inverse photoemission spectra of adsorbed xenon multilayers on Ru(001). Electron energy-loss spectra of xenon adsorbed on gold by Demuth, Avouris, and Schmeisser are included in the discussion. The observed layer-dependent shifts of the inverse photoemission spectra closer to the Fermi level clearly invalidate image screening effects as being the dominant cause of these shifts but support a ``floating'' of the adsorbed Xe potential well as a whole with the surface potential in the initial state.

  2. Monochromatic electron photoemission from diamondoid monolayers

    SciTech Connect

    Yang, Wanli; Yang, Wanli L.; Fabbri, J.D.; Willey, T.M.; Lee, J.R.I.; Dahl, J.E.; Carlson, R.M.K.; Schreiner, P.R.; Fokin, A.A.; Tkachenko, B.A.; Fokina, N.A.; Meevasana, W.; Mannella, N.; Tanaka, K.; Zhou, X.J.; van Buuren, T.; Kelly, M.A.; Hussain, Z.; Melosh, N.A.; Shen, Z.-X.

    2007-02-27

    We found monochromatic electron photoemission from large-area self-assembled monolayers of a functionalized diamondoid, [121]tetramantane-6-thiol. Photoelectron spectra of the diamondoid monolayers exhibited a peak at the low-kinetic energy threshold; up to 68percent of all emitted electrons were emitted within this single energy peak. The intensity of the emission peak is indicative of diamondoids being negative electron affinity materials. With an energy distribution width of less than 0.5 electron volts, this source of monochromatic electrons may find application in technologies such as electron microscopy, electron beam lithography, and field-emission flatpanel displays.

  3. Monochromatic Electron Photoemission from DiamondoidMonolayers

    SciTech Connect

    Yang, W.L.

    2010-04-15

    We found monochromatic electron photoemission from large-area self-assembled monolayers of a functionalized diamondoid, [121]tetramantane-6-thiol. Photoelectron spectra of the diamondoid monolayers exhibited a peak at the low-kinetic energy threshold; up to 68% of all emitted electrons were emitted within this single energy peak. The intensity of the emission peak is indicative of diamondoids being negative electron affinity materials. With an energy distribution width of less than 0.5 electron volts, this source of monochromatic electrons may find application in technologies such as electron microscopy, electron beam lithography, and field-emission flat-panel displays.

  4. Crystal structure and X-ray photoemission spectroscopic study of A{sub 2}LaMO{sub 6} [A=Ba, Ca; M=Nb, Ta

    SciTech Connect

    Dutta, Alo; Saha, Sujoy; Sinha, T.P.

    2015-09-15

    The X-ray photoemission spectroscopic (XPS) study of the double perovskite oxides A{sub 2}LaMO{sub 6} [A=Ba, Ca; M=Nb, Ta] synthesized by the solid-state reaction technique has been carried out to investigate the nature of the chemical state of the constituent ions and the bonding between them. The Rietveld refinement of the X-ray diffraction patterns suggests the monoclinic crystal structure of all the materials at room temperature. The negative and positive chemical shifts of the core level XPS spectrum of O-1s and Nb-3d{sub 3/2}/Ta-4f{sub 5/2} respectively suggest the covalent bonding between Nb/Ta cations and O ion. The change of the bonding strength between the anion and the cations from one material to another has been analyzed. The vibrational property of the materials is investigated using the room temperature Raman spectra. A large covalency of Ta-based compound than Nb compound is confirmed from the relative shifting of the Raman modes of the materials. - Graphical abstract: Crystal structure of two perovskite oxides CLN and CLT is investigated. XPS study confirms the two different co-ordination environments of Ca and covalent bonding between B-site cations and O-ion. - Highlights: • Ordered perovskite structure obtained by Rietveld refinement of XRD patterns. • Study of nature of chemical bonding by X-ray photoemission spectroscopy. • Opposite chemical shift of d-states of Nb/Ta with respect to O. • Covalent bonding between d-states of Nb/Ta and O. • Relative Raman shifts of CLN and CLT substantiate the more covalent character of Ta than Nb.

  5. Real-time observation of collective excitations in photoemission

    NASA Astrophysics Data System (ADS)

    Lemell, C.; Neppl, S.; Wachter, G.; Tőkési, K.; Ernstorfer, R.; Feulner, P.; Kienberger, R.; Burgdörfer, J.

    2015-06-01

    Ejection of an electron by absorption of an extreme ultraviolet (xuv) photon probes the many-electron response of a solid well beyond the single-particle picture. Photoemission spectra feature complex correlation satellite structures signifying the simultaneous excitation of single or multiple plasmons. The time delay of the plasmon satellites relative to the main line can be resolved in attosecond streaking experiments. Time-resolved photoemission thus provides the key to discriminate between intrinsic and extrinsic plasmon excitation. We demonstrate the determination of the branching ratio between intrinsic and extrinsic plasmon generation for simple metals.

  6. Photoemission investigation of the interaction of SO 2 with V 2O 3 surfaces

    NASA Astrophysics Data System (ADS)

    Smith, Kevin E.; Henrich, Victor E.

    1990-01-01

    The interaction of SO 2 with a variety of single crystal V 2O 3 surfaces has been investigated using ultraviolet photoemission spectroscopy (UPS) and X-ray photoemission spectroscopy (XPS). The reaction of SO 2 with metallic high defect density (10 overline12) surfaces of both pure V 2O 3 and V 2O 3 doped with 1.5 at% Cr was found to be very weak, saturating for exposures above 5 L. Analysis of the S 2p binding energy indicates that both molecular and dissociative adsorption occur, producing both sulfide and sulfate/sulfite at the surface. The reaction was found to be similar, though weaker, on insulating nearly perfect Cr-doped V 2O 3(10 overline12) surfaces; core level spectra indicate the production of similar compounds on both cleaved and sputtered surfaces. Exposure of either nearly perfect or sputtered V 2O 3 surfaces to O 2 severely inhibits subsequent uptake of SO 2. No simple dependency of SO 2 adsorption on population of the V 3d states could be discovered. The reaction of SO 2 with V 2O 3(10 overline12) surfaces is dramatically different from that seen on Ti 2O 3(10 overline12); the latter reaction completely and violently oxidises the surfaces, producing TiS 2- and TiO 2-like structures at the surface. It is believed that the difference in reactivity is related to the difference in orbital character of the d electrons between Ti 2O 3 and V 2O 3.

  7. Temperature dependent core photoemission in Ce 24Co 11

    NASA Astrophysics Data System (ADS)

    Abbati, I.; Braicovich, L.; Michelis, B.; Fasana, A.; Olcese, G. L.; Canepa, F.; Costa, G. A.

    1985-09-01

    We present Ce 3 d photoemission results (XPS with Al Kα) in the temperature range 100-660°K. The mixed valence behaviour of Ce is very clear with an increase of the valence at lower temperature. A model analysis (of the Gunnarsson and Schönhammer type) gives the weight of the ⨍ 0 configuration equal to 0.19 at 300°K and equal to 0.23 at 100°K. This soft temperature dependence is discussed in connection with the temperature dependence of magnetic properties and with the chemistry of Ce intermetallics.

  8. Comparative photoemission study of amorphous and crystalline As

    NASA Astrophysics Data System (ADS)

    Takahashi, T.; Harada, Y.; Hamanaka, H.

    1981-09-01

    Careful photoemission (ultraviolet, UPS and x-ray, XPS) studies were performed for amorphous and crystalline As in order to terminate the long-standing controversy upon the feature of the 4p-derived portion of the density of valence states of rhombohedral As. The 4p band of rhombohedral As exhibits a twin-peak structure as in the case of amorphous As. The present results are in line with Shevchik's data rather than those of Ley et al., in which only one broad band is observed in the 4p-derived portion in the spectrum of rhombohedral As.

  9. Effects of the electron-hole pair in Auger and X-ray photoemission spectroscopy from surfaces of Fe-Si

    NASA Astrophysics Data System (ADS)

    Gervasoni, J. L.; Jenko, M.; Poniku, B.; Belič, I.; Juan, A.

    2015-07-01

    In this work, we investigate in detail the effects due to the interaction between an electron and a stationary positive ion (or atomic hole) in the neighborhood of a surface of Fe-Si, having a strong plasmon peak in their electron energy loss spectra, when it is excited with synchrotron radiation. We take into account the effects due to the sudden creation of an electron and the residual holes, one in the case of X-ray photoemission spectroscopy (XPS) and two in the case of Auger electron spectroscopy (AES). We use a semi classical dielectric formulation for the photoelectron trajectory, and we estimated the parameter rs, the radius of the sphere occupied by one electron in the solid, which is critical in order to define the electron density of the alloy. With the cited formulation, we have obtained a detailed behavior of the different contributions of the collective excitations in both processes.

  10. Plasmon Enhanced Photoemission

    SciTech Connect

    Polyakov, Aleksandr

    2012-05-08

    Next generation ultrabright light sources will operate at megahertz repetition rates with temporal resolution in the attosecond regime. For an X-Ray Free Electron Laser (FEL) to operate at such repetition rate requires a high quantum efficiency (QE) cathode to produce electron bunches of 300 pC per 1.5 μJ incident laser pulse. Semiconductor photocathodes have sufficient QE in the ultraviolet (UV) and the visible spectrum, however, they produce picosecond electron pulses due to the electron-phonon scattering. On the other hand, metals have two orders of magnitude less QE, but can produce femtosecond pulses, that are required to form the optimum electron distribution for high efficiency FEL operation. In this work, a novel metallic photocathode design is presented, where a set of nano-cavities is introduced on the metal surface to increase its QE to meet the FEL requirements, while maintaining the fast time response. Photoemission can be broken up into three steps: (1) photon absorption, (2) electron transport to the surface, and (3) crossing the metal-vacuum barrier. The first two steps can be improved by making the metal completely absorbing and by localizing the fields closer to the metal surface, thereby reducing the electron travel distance. Both of these effects can be achieved by coupling the incident light to an electron density wave on the metal surface, represented by a quasi-particle, the Surface Plasmon Polariton (SPP). The photoemission then becomes a process where the photon energy is transferred to an SPP and then to an electron. The dispersion relation for the SPP defines the region of energies where such process can occur. For example, for gold, the maximum SPP energy is 2.4 eV, however, the work function is 5.6 eV, therefore, only a fourth order photoemission process is possible. In such process, four photons excite four plasmons that together excite only one electron. The yield of such non-linear process depends strongly on the light intensity. In

  11. Plasmon Enhanced Photoemission

    NASA Astrophysics Data System (ADS)

    Polyakov, Aleksandr N.

    Next generation ultrabright light sources will operate at megahertz repetition rates with temporal resolution in the attosecond regime. For an X-Ray Free Electron Laser (FEL) to operate at such repetition rate requires a high quantum efficiency (QE) cathode to produce electron bunches of 300 pC per 1.5mu J incident laser pulse. Semiconductor photocathodes have sufficient QE in the ultraviolet (UV) and the visible spectrum, however, they produce picosecond electron pulses due to the electron-phonon scattering. On the other hand, metals have two orders of magnitude less QE, but can produce femtosecond pulses, that are required to form the optimum electron distribution for high efficiency FEL operation. In this work, a novel metallic photocathode design is presented, where a set of nano-cavities is introduced on the metal surface to increase its QE to meet the FEL requirements, while maintaining the fast time response. Photoemission can be broken up into three steps: (1) photon absorption, (2) electron transport to the surface, and (3) crossing the metal-vacuum barrier. The first two steps can be improved by making the metal completely absorbing and by localizing the fields closer to the metal surface, thereby reducing the electron travel distance. Both of these effects can be achieved by coupling the incident light to an electron density wave on the metal surface, represented by a quasi-particle, the Surface Plasmon Polariton (SPP). The photoemission then becomes a process where the photon energy is transferred to an SPP and then to an electron. The dispersion relation for the SPP defines the region of energies where such process can occur. For example, for gold, the maximum SPP energy is 2.4 eV, however, the work function is 5.6 eV, therefore, only a fourth order photoemission process is possible. In such process, four photons excite four plasmons that together excite only one electron. The yield of such non-linear process depends strongly on the light intensity. In

  12. XPS Determination of Uranium Oxidations States

    SciTech Connect

    Ilton, Eugene S.; Bagus, Paul S.

    2011-12-01

    This contribution is both a review of different aspects of the XPS spectra that can help one determine U oxidation states and a personal perspective on how to effectively model the XPS of complicated mixed valence U phases. After a discussion of the valence band, the focus lingers on the U4f region, where the use of binding energies, satellite structures, and peak shapes is discussed in some detail. Binding energies were shown to be very dependent on composition/structure and consequently unreliable guides to oxidation state, particularly where assignment of composition is difficult. Likewise, the spin orbit split 4f7/2 and 4f5/2 peak shapes do not carry significant information on oxidation states. In contrast, both satellite-primary peak binding energy separations, as well as intensities too lesser extent, are relatively insensitive to composition/structure within the oxide-hydroxide-hydrate system and can be used to both identify and help quantify U oxidation states in mixed valence phases. An example of the usefulness of the satellite structure in constraining the interpretation of a complex multivalence U compound is given.

  13. Structural, magnetic and XPS studies of Sn0.95Co0.05O2-0.05 and Sn0.95Fe0.05O2-0.05 nanoparticles

    NASA Astrophysics Data System (ADS)

    Kaur, Jasneet; Sahni, Kunal; Kumar, Vikas; Thakur, Kartik; Kotnala, R. K.; Verma, Kuldeep Chand

    2013-02-01

    Structural, microstructural, X-ray photoemission spectra (XPS) and magnetic properties of transition metal ion [5 mol% of Co (SC5) and Fe (SF5)]-doped SnO2 nanoparticles have been studied. The SC5 and SF5 nanoparticles were synthesized by a chemical route using polyvinyl alcohol as surfactant. The doped SnO2 crystallites were found to exhibit a tetragonal rutile structure and the average grains size was measured by the Scherer relation of X-ray diffraction. Transmission electron micrographs showed that the average grain size of SC5 is smaller than SF5. SC5 nanoparticles showed strong ferromagnetic behaviour but SF5 exhibited an F-centre exchange (FCE) mechanism. Temperature-dependent magnetization showed the values of phase transition temperature. XPS confirmed the presence of Sn-O-Co and Sn-O-Fe bonds in these SC5 and SF5 nanoparticles. The oxidation states of Sn, Co and Fe were found to be +4, +2 and +2, respectively, while the core level XPS peaks of Sn 3d, O 1s, Co 2p and Fe 2p were analyzed.

  14. High-harmonic XUV source for time- and angle-resolved photoemission spectroscopy

    SciTech Connect

    Dakovski, Georgi L; Li, Yinwan; Durakiewicz, Tomasz; Rodriguez, George

    2009-01-01

    We present a laser-based apparatus for visible pump/XUV probe time- and angle-resolved photoemission spectroscopy (TRARPES) utilizing high-harmonic generation from a noble gas. Femtosecond temporal resolution for each selected harmonic is achieved by using a time-delay-compensated monochromator (TCM). The source has been used to obtain photoemission spectra from insulators (UO{sub 2}) and ultrafast pump/probe processes in semiconductors (GaAs).

  15. Anharmonic surface vibrations in photoemission from alkali metals

    SciTech Connect

    Wertheim, G.K.; Riffe, D.M.; Citrin, P.H. )

    1994-01-15

    The phonon widths of outermost core-electron photoemission spectra from (110)-oriented overlayers of Na, K, and Rb metals show the expected Debye behavior for the bulk atoms, but significant deviations for the surface atoms. The data indicate a softening of the surface vibrational mode above 200 K. This effect, which is weak in Na but strong in K and Rb, demonstrates that the vibrational mode normal to the surface is anharmonic.

  16. The origin of Monochromatic Photoemission Peak in Diamondod Monolayer

    SciTech Connect

    Clay, W. A.

    2010-02-24

    Recent photoemission experiments have discovered a highly monochromatized secondary electron peak emitted from diamondoid self-assembled monolayers on metal substrates. New experimental data and simulation results are presented to show that a combination of negative electron affinity and strong electron-phonon scattering is responsible for this behavior. The simulation results are generated using a simple Monte Carlo transport algorithm. The simulated spectra recreate the main spectral features of the measured ones.

  17. Photoemission study of cerium silicate model systems

    NASA Astrophysics Data System (ADS)

    Skála, Tomáš; Matolín, Vladimír

    2013-01-01

    Interaction of silicon with cerium oxide was studied by photoelectron spectroscopy using two model systems CeOx/Si(1 1 1) and Si/CeO2(1 1 1)/Cu(1 1 1) which can be used for fundamental studies in the field of microelectronics and heterogeneous catalysis. The interaction was found to be strong and lead to a formation of cerium silicate films of the proposed stoichiometry Ce4.67Si3O13. Their maximum thickness was limited by diffusion of silicon. Beside silicate other compounds were growing on the surface - SiO2, Si2O, Si, and CeO2. The assignment of the formed species is based on the interpretation of photoemission spectra involving the measurements of various reference O/Si and Sisbnd O/Cu systems.

  18. Spin polarization and magnetic dichroism in core-level photoemission from ferromagnets

    SciTech Connect

    Menchero, Jose Gabriel

    1997-05-01

    In this thesis we present a theoretical investigation of angle- and spin-resolved core-level photoemission from ferromagnetic Fe and Ni. We also consider magneto-dichroic effects due to reversal of the photon helicity or reversal of the sample magnetization direction. In chapter 1, we provide a brief outline of the history of photoemission, and show how it has played an important role in the development of modern physics. We then review the basic elements of the theory of core-level photoemission, and discuss the validity of the some of the commonly-used approximations. In chapter 2, we present a one-electron theory to calculate spin- and angle-resolved photoemission spectra for an arbitrary photon polarization. The Hamiltonian includes both spin-orbit and exchange interactions. As test cases for the theory, we calculate the spin polarization and magnetic dichroism for the Fe 2p core level, and find that agreement with experiment is very good.

  19. XPS characterization of naturally aged wood

    NASA Astrophysics Data System (ADS)

    Popescu, Carmen-Mihaela; Tibirna, Carmen-Mihaela; Vasile, Cornelia

    2009-12-01

    Wood deterioration over time (by a simultaneously biological, chemical or physical attack) is an inevitable continuous process in the environment. This process destroys all heritage resulting in a loss of valuable old wooden structures and their properties. What type of deterioration occurs and how these processes impact the wood are important questions that need consideration if old wooden structures are to be studied and properly preserved. X-ray photoelectron spectroscopy (XPS) was employed to analyze the undegraded (sound wood of ˜6 years) and degraded lime wood (˜150 years, ˜180 years, ˜250 years) from painting supports, differing in terms of the provenance, conservation status and environmental conditions of storage. Elaborated XPS analysis (comparison of C and O individual spectra, decomposition for each atomic component, calculation of O/C ratio) provided a view of the composition of the sample surfaces analyzed. On the basis of these results, it was confirmed that significant changes occurred in the first period of ageing, the ˜150 years lime wood sample having the highest percent of the carbon atoms and the lowest percentage of oxygen atoms and, respectively O/C ratio. According to our previous studies (X-ray diffraction, FTIR spectroscopy, analytical pyrolysis combined with gas chromatography/mass spectrometry and ESR-spectroscopy results), these features could be attributed to the fact that hemicelluloses and amorphous cellulose are degraded in time, whereas the crystalline fraction of cellulose decreases more slowly than the amorphous one. Consequently, the observation may be made that lignin is not so easily degraded under the environmental conditions where paintings are frequently exposed.

  20. Os layers spontaneously deposited on the Pt(111) electrode : XPS, STM and GIF-XAS study.

    SciTech Connect

    Rhee, C. K.; Wakisaka, M.; Tolmachev, Y.; Johnston, C.; Haasch, R.; Attenkofer, K.; Lu, G. Q.; You, H.; Wieckowski, A.; Univ. of Illinois Champaigh-Urbana

    2003-01-01

    Scanning tunneling microscopy (STM) characterized adlayers of spontaneously deposited osmium on a Pt(111) electrode were investigated using ex-situ X-ray photoemission spectroscopy (XPS) and in-situ grazing incidence fluorescence X-ray absorption spectroscopy (GIF-XAS). After a single spontaneous deposition, monoatomic (or nearly monoatomic) nanoislands of osmium are formed. The island diameter varies from 2 to 5 nm depending on the Os coverage, which in turn is adjusted by varying the concentration of the Os precursor salt (OsCl3) in the deposition bath and/or by the deposition time. XPS reveals three oxidation states: a metallic Os (the 4f7/2 core level binding energy of 50.8 eV), Os(IV) (51.5 eV) and Os(VIII) (52.4 eV). The metallic osmium exists at potentials below 500 mV (vs. RHE) while above 500 mV osmium is oxidized to Os(IV). Electrodissolution of osmium begins above 900 mV and occurs simultaneously with platinum oxidation. At ca. 1200 mV V versus the RHE reference, the oxidation state of some small amounts of osmium that survive dissolution is the Os(VIII). We demonstrate, for the first time, that mixed or odd valencies of osmium exist on the platinum surface at potentials higher that 800 mV. In-situ GIF-XAS measurements of an Os LIII edge also reveal the presence of three Os oxidation states. Namely, below the electrode potential of 400 mV, the X-ray fluorescent energy at maximum absorption is 10.8765 keV, and is characteristic of the metallic Os. In the potential range between 500 and 1000 mV this energy is gradually shifted to higher values, assignable to higher valencies of osmium, like Os(IV). This tendency continues to higher potentials consistent with the third, highly oxidized osmium form present, most likely Os(VIII). The variation of the 'raw edge jump height' of Os with the electrode potential, which is equivalent to a drop in osmium surface concentration, demonstrates that the electrochemical stripping of Os begins below 1.0 V versus RHE, as

  1. Photoemission-based microelectronic devices

    PubMed Central

    Forati, Ebrahim; Dill, Tyler J.; Tao, Andrea R.; Sievenpiper, Dan

    2016-01-01

    The vast majority of modern microelectronic devices rely on carriers within semiconductors due to their integrability. Therefore, the performance of these devices is limited due to natural semiconductor properties such as band gap and electron velocity. Replacing the semiconductor channel in conventional microelectronic devices with a gas or vacuum channel may scale their speed, wavelength and power beyond what is available today. However, liberating electrons into gas/vacuum in a practical microelectronic device is quite challenging. It often requires heating, applying high voltages, or using lasers with short wavelengths or high powers. Here, we show that the interaction between an engineered resonant surface and a low-power infrared laser can cause enough photoemission via electron tunnelling to implement feasible microelectronic devices such as transistors, switches and modulators. The proposed photoemission-based devices benefit from the advantages of gas-plasma/vacuum electronic devices while preserving the integrability of semiconductor-based devices. PMID:27811946

  2. Photoemission-based microelectronic devices

    NASA Astrophysics Data System (ADS)

    Forati, Ebrahim; Dill, Tyler J.; Tao, Andrea R.; Sievenpiper, Dan

    2016-11-01

    The vast majority of modern microelectronic devices rely on carriers within semiconductors due to their integrability. Therefore, the performance of these devices is limited due to natural semiconductor properties such as band gap and electron velocity. Replacing the semiconductor channel in conventional microelectronic devices with a gas or vacuum channel may scale their speed, wavelength and power beyond what is available today. However, liberating electrons into gas/vacuum in a practical microelectronic device is quite challenging. It often requires heating, applying high voltages, or using lasers with short wavelengths or high powers. Here, we show that the interaction between an engineered resonant surface and a low-power infrared laser can cause enough photoemission via electron tunnelling to implement feasible microelectronic devices such as transistors, switches and modulators. The proposed photoemission-based devices benefit from the advantages of gas-plasma/vacuum electronic devices while preserving the integrability of semiconductor-based devices.

  3. Angle- and spin-resolved photoemission from ferromagnets

    NASA Astrophysics Data System (ADS)

    Cherepkov, N. A.; Kuznetsov, V. V.

    1996-07-01

    Equations for angle- and spin-resolved photoemission from core levels of ferromagnets are derived using the atomic model. They are applied to the n p subshells and to the particular geometries of experiment with the photoemission normal to the surface, which have been used already in several experiments. It is shown that for these geometries the spin-resolved spectra obtained with linearly polarized light are especially simple and contain the contribution of only one or two magnetic sublevels of the 0953-8984/8/27/008/img5 state, and of only one sublevel of the 0953-8984/8/27/008/img6 state, which allow one to resolve the magnetic splitting of core levels. The use of circularly polarized or unpolarized light gives a less transparent picture.

  4. Study of Photoemissive Dusty Plasma

    NASA Astrophysics Data System (ADS)

    Gavrikov, A. V.; Fortov, V. E.; Petrov, O. F.; Babichev, V. N.; Filippov, A. V.; Pal', A. F.; Starostin, A. N.

    2008-09-01

    The present work deals with the experimental and theoretical investigation of photoemissive charging of polydisperse dust particles. The characteristic size of dust particles under consideration was 0.1-25 mkm. The experimental part of this work was devoted to the study of positive charging of macroparticles under UV-radiation that acted on dusty formations. Investigations were carried out in argon at normal pressure with particles of different materials. Dust structure was subjected to radiation. The power and frequency spectrum of this radiation was close to corresponding parameters of sun radiation near the top layers of Earth atmosphere. Owing to electron photoemission the macroparticles became positively charged. On the basis of experimental data the estimation of this charge was performed. It was about 500 elementary charges for micron particles. The theoretical part of present work included the numerical simulation of photoemissive dusty plasma decay in a drift-diffusion approximation. The model included equilibrium equation for positively charged macroparticles (in experiment, the percent of these particles was about 90), negatively charged dust particles (about 10%), positive ions (those were born by electron strike of buffered gas atoms) and electrons. Also the model included the Poisson equation for determination of potential distribution in the discharge region. The results of numerical calculations were in a satisfactory correspondence with experimental data both for time dependences of positively and negatively charged macroparticles concentrations and for their velocities.

  5. Study of Photoemissive Dusty Plasma

    SciTech Connect

    Gavrikov, A. V.; Fortov, V. E.; Petrov, O. F.; Babichev, V. N.; Filippov, A. V.; Pal', A. F.; Starostin, A. N.

    2008-09-07

    The present work deals with the experimental and theoretical investigation of photoemissive charging of polydisperse dust particles. The characteristic size of dust particles under consideration was 0.1-25 mkm. The experimental part of this work was devoted to the study of positive charging of macroparticles under UV-radiation that acted on dusty formations. Investigations were carried out in argon at normal pressure with particles of different materials. Dust structure was subjected to radiation. The power and frequency spectrum of this radiation was close to corresponding parameters of sun radiation near the top layers of Earth atmosphere. Owing to electron photoemission the macroparticles became positively charged. On the basis of experimental data the estimation of this charge was performed. It was about 500 elementary charges for micron particles. The theoretical part of present work included the numerical simulation of photoemissive dusty plasma decay in a drift-diffusion approximation. The model included equilibrium equation for positively charged macroparticles (in experiment, the percent of these particles was about 90), negatively charged dust particles (about 10%), positive ions (those were born by electron strike of buffered gas atoms) and electrons. Also the model included the Poisson equation for determination of potential distribution in the discharge region. The results of numerical calculations were in a satisfactory correspondence with experimental data both for time dependences of positively and negatively charged macroparticles concentrations and for their velocities.

  6. Photocathode device that replenishes photoemissive coating

    SciTech Connect

    Moody, Nathan A.; Lizon, David C.

    2016-06-14

    A photocathode device may replenish its photoemissive coating to replace coating material that desorbs/evaporates during photoemission. A linear actuator system may regulate the release of a replenishment material vapor, such as an alkali metal, from a chamber inside the photocathode device to a porous cathode substrate. The replenishment material deposits on the inner surface of a porous membrane and effuses through the membrane to the outer surface, where it replenishes the photoemissive coating. The rate of replenishment of the photoemissive coating may be adjusted using the linear actuator system to regulate performance of the photocathode device during photoemission. Alternatively, the linear actuator system may adjust a plasma discharge gap between a cartridge containing replenishment material and a metal grid. A potential is applied between the cartridge and the grid, resulting in ejection of metal ions from the cartridge that similarly replenish the photoemissive coating.

  7. INVESTIGATION OF PHOTOEMISSION SOLAR ENERGY CONVERTERS

    DTIC Science & Technology

    The feasibility of making a photoemissive solar energy converter was investigated theoretically and in practical devices. Theoretical...practical device was only one-tenth of one percent. In support of the work done directly in fabrication of photoemissive solar energy converters, numerous...measurements were made of the properties of photoemitters under the high light and high current conditions typical of photoemissives solar energy converter

  8. XPS and SPR analysis of glycoarray surface density.

    PubMed

    Dhayal, Marshal; Ratner, Daniel M

    2009-02-17

    Despite the fact that the carbohydrate microarray has seen increasing use within the field of glycobiology, the surface chemistry of the glycoarray remains largely unexplored. Motivated by the need to develop surface analytical techniques to characterize carbohydrate-modified surfaces, we developed a quantitative X-ray photoelectron spectroscopy (XPS) and surface plasmon resonance imaging (SPR imaging) method to study glycan biosensors. We performed a comparative analysis on the relative coverage of mixed self-assembled monolayers (SAMs) on gold, consisting of a thiol-functionalized trimannoside (Manalpha1,2Manalpha1,2Manalpha-OEG-SH) at varying concentrations (0-100%) mixed separately with two thiol-containing polyethylene glycol oligomers. XPS C1s core level analysis was used to identify the O-C-O functionality unique to the carbohydrate acetal moiety and to separate and quantify the relative coverage of sugar in carbohydrate/OEG mixed SAMs. XPS spectra of the mixed SAMs demonstrated a proportional increase in the acetal signature of the glycan with increasing sugar concentration. To relate surface glycan density with biological function, we carried out a kinetic analysis of Concanavalin A (ConA) binding to SAMs of varying densities of carbohydrate using SPR imaging. We observed protein binding that was highly dependent on both glycan density and the nature of the OEG-thiol used in the mixed self-assembly. These results illustrate the utility of surface analytical techniques such as XPS and SPR in carbohydrate biosensor characterization and optimization.

  9. X-ray photoemission study of the infinite-layer cuprate superconductor Sr(0.9) La (0.1) CuO(2)

    NASA Technical Reports Server (NTRS)

    Vasquez, R. P.; Jung, C. U.; Kim, J. Y.; Kim, M. S.; Lee, S. Y.; Lee, S. I.

    2001-01-01

    The electron-doped infinite-layer superconductor Sr(0.9)La(0.1) CuO(2) is studied with x-ray photoemission spectroscopy (XPS). A nonaqueous chemical etchant is shown to effectively remove contaminants and to yield surfaces from which signals intrinsic to the superconductor dominate.

  10. X-ray photoemission study of the infinite-layer cuprate superconductor Sr(0.9) La (0.1) CuO(2)

    NASA Technical Reports Server (NTRS)

    Vasquez, R. P.; Jung, C. U.; Kim, J. Y.; Kim, M. S.; Lee, S. Y.; Lee, S. I.

    2001-01-01

    The electron-doped infinite-layer superconductor Sr(0.9)La(0.1) CuO(2) is studied with x-ray photoemission spectroscopy (XPS). A nonaqueous chemical etchant is shown to effectively remove contaminants and to yield surfaces from which signals intrinsic to the superconductor dominate.

  11. Angular resolved XPS applied to V 2O 5-based catalysts

    NASA Astrophysics Data System (ADS)

    Devriendt, K.; Poelman, H.; Fiermans, L.; Creten, G.; Froment, G. F.

    1996-05-01

    Two applications of angular dependent XPS (X-ray photoelectron spectroscopy) experiments, performed with a Perkin Elmer Phi 5500 ESCA system in the framework of a monolayer catalyst research project, are illustrated. XPFS (X-ray photoelectron forward scattering) measurements were used to show the oxygen removal at the surface of catalytically reduced V 2O 5(001) pellets, in comparison with pure V 2O 5. ARXPS (angle resolved XPS) polar scans were taken from a model catalyst system (TiO 2 anatase supported V 2O 5 layers) in order to determine their components and the chemical state of the system. With the use of the statistical technique MLCFA (maximum likelihood common factor analysis), different overlapping components in the V and Ti photoemission peaks were separated, pointing towards the existence of a VTiO bonding at the {V2O5}/{TiO2} interface.

  12. Auger and x-ray photoemission spectroscopy study on Cs2Te photocathodes

    NASA Astrophysics Data System (ADS)

    di Bona, A.; Sabary, F.; Valeri, S.; Michelato, P.; Sertore, D.; Suberlucq, G.

    1996-09-01

    Thin films of Cs2Te have been produced and analyzed by Auger depth profiling and x-ray photoemission spectroscopy (XPS). The formation of the photoemissive material passes through different phases, each of them has been characterized by XPS and by its total yield in the spectral region 3.5-5 eV. Copper and molybdenum substrates have been considered. While Mo behaves to all practical purposes like an ideal support for Cs2Te, strong diffusion from the substrate material into the photoemissive film has been observed on photocathodes fabricated on Cu. The ruggedness of the photocathodes has been tested by exposing them to a few hundred Langmuirs of different gases, namely O2, CO2, CO, N2, and CH4. The last three have no effect on the photocathode lifetime, while a substantial reduction of the quantum efficiency has been observed after the exposure to oxygen. The main reason for this is the formation of a thick cesium oxide layer at the surface of the photocathode. However, the oxygen pollution can be partially recovered by the combined effect of heating the photocathode at 230 °C and illuminating the poisoned material with the 4.9 eV radiation. No rejuvenation has been observed under the effect of the temperature or the radiation alone.

  13. Structural and electronic properties of V2O3 ultrathin film on Ag(001): LEED and photoemission study

    NASA Astrophysics Data System (ADS)

    Kundu, Asish K.; Menon, Krishnakumar S. R.

    2016-05-01

    V2O3 ultrathin films were grown on Ag(001) substrate by reactive evaporation of vanadium (V) metal in presence of oxygen and their structural and electronic properties were studied by Low Energy Electron Diffraction (LEED), X-ray Photo Electron Spectroscopy (XPS) and Angle Resolved Photoemission Spectroscopic (ARPES) techniques, respectively. On top of square symmetry substrate Ag(001), hexagonal surface of V2O3 (0001) is stabilized in the form of two domain structure, rotated by 30°(or 90°)to each other, has been observed by LEED. Rather than epitaxial flat monolayer, formation of well-ordered V2O3 (0001) island has been confirmed from the LEED and the Photoemission Spectroscopic (PES) study. Stoichiometry of the grown film was confirmed by the XPS study. Evolution of valance band electronic structure of V2O3 (0001) surface has been studied as a function of film thickness by ARPES.

  14. A Dust Grain Photoemission Experiment

    NASA Technical Reports Server (NTRS)

    Venturini, C. C.; Spann, J. F., Jr.; Abbas, M. M.; Comfort, R. H.

    2000-01-01

    A laboratory experiment has been developed at Marshall Space Flight Center to study the interaction of micron-sized particles with plasmas and FUV radiation. The intent is to investigate the conditions under which particles of various compositions and sizes become charged, or discharged, while exposed to an electron beam and/or UV radiation. This experiment uses a unique laboratory where a single charged micron size particle is suspended in a quadrupole trap and then subjected to a controlled environment. Tests are performed using different materials and sizes, ranging from 10 microns to 1 micron, to determine the particle's charge while being subjected to an electron beam and /or UV radiation. The focus of this presentation will be on preliminary results from UV photoemission tests, but past results from electron beam, secondary electron emission tests will also be highlighted. A monochromator is used to spectrally resolve UV in the 120 nm to 300 nm range. This enables photoemission measurements as a function of wavelength. Electron beam tests are conducted using I to 3 micron sized aluminum oxide particles subjected to energies between 100 eV to 3 KeV. It was found that for both positive and negative particles the potential tended toward neutrality over time with possible equilibrium potentials between -0.8 Volts and 0.8 Volts.

  15. A Dust Grain Photoemission Experiment

    NASA Technical Reports Server (NTRS)

    Venturini, C. C.; Spann, J. F., Jr.; Abbas, M. M.; Comfort, R. H.

    2000-01-01

    A laboratory experiment has been developed at Marshall Space Flight Center to study the interaction of micron-sized particles with plasmas and FUV radiation. The intent is to investigate the conditions under which particles of various compositions and sizes become charged, or discharged, while exposed to an electron beam and/or UV radiation. This experiment uses a unique laboratory where a single charged micron size particle is suspended in a quadrupole trap and then subjected to a controlled environment. Tests are performed using different materials and sizes, ranging from 10 microns to 1 micron, to determine the particle's charge while being subjected to an electron beam and /or UV radiation. The focus of this presentation will be on preliminary results from UV photoemission tests, but past results from electron beam, secondary electron emission tests will also be highlighted. A monochromator is used to spectrally resolve UV in the 120 nm to 300 nm range. This enables photoemission measurements as a function of wavelength. Electron beam tests are conducted using I to 3 micron sized aluminum oxide particles subjected to energies between 100 eV to 3 KeV. It was found that for both positive and negative particles the potential tended toward neutrality over time with possible equilibrium potentials between -0.8 Volts and 0.8 Volts.

  16. Alkaline Earth Core Level Photoemission Spectroscopy of High-Temperature Superconductors

    NASA Technical Reports Server (NTRS)

    Vasquez, R.

    1993-01-01

    This paper examines photoemission measurements of the alkaline Earth core levels of high-temperature superconductors and related materials, models that seek to explain the large negative shifts observed relative to the corresponding alkaline Earth metals, and the effect of lattice site disorder on the core level spectra and the presence or absence of intrinsic surface peaks.

  17. Alkaline Earth Core Level Photoemission Spectroscopy of High-Temperature Superconductors

    NASA Technical Reports Server (NTRS)

    Vasquez, R.

    1993-01-01

    This paper examines photoemission measurements of the alkaline Earth core levels of high-temperature superconductors and related materials, models that seek to explain the large negative shifts observed relative to the corresponding alkaline Earth metals, and the effect of lattice site disorder on the core level spectra and the presence or absence of intrinsic surface peaks.

  18. Two-Color Coherent Control of Femtosecond Above-Threshold Photoemission from a Tungsten Nanotip.

    PubMed

    Förster, Michael; Paschen, Timo; Krüger, Michael; Lemell, Christoph; Wachter, Georg; Libisch, Florian; Madlener, Thomas; Burgdörfer, Joachim; Hommelhoff, Peter

    2016-11-18

    We demonstrate coherent control of multiphoton and above-threshold photoemission from a single solid-state nanoemitter driven by a fundamental and a weak second harmonic laser pulse. Depending on the relative phase of the two pulses, electron emission is modulated with a contrast of the oscillating current signal of up to 94%. Electron spectra reveal that all observed photon orders are affected simultaneously and similarly. We confirm that photoemission takes place within 10 fs. Accompanying simulations indicate that the current modulation with its large contrast results from two interfering quantum pathways leading to electron emission.

  19. Two-Color Coherent Control of Femtosecond Above-Threshold Photoemission from a Tungsten Nanotip

    NASA Astrophysics Data System (ADS)

    Förster, Michael; Paschen, Timo; Krüger, Michael; Lemell, Christoph; Wachter, Georg; Libisch, Florian; Madlener, Thomas; Burgdörfer, Joachim; Hommelhoff, Peter

    2016-11-01

    We demonstrate coherent control of multiphoton and above-threshold photoemission from a single solid-state nanoemitter driven by a fundamental and a weak second harmonic laser pulse. Depending on the relative phase of the two pulses, electron emission is modulated with a contrast of the oscillating current signal of up to 94%. Electron spectra reveal that all observed photon orders are affected simultaneously and similarly. We confirm that photoemission takes place within 10 fs. Accompanying simulations indicate that the current modulation with its large contrast results from two interfering quantum pathways leading to electron emission.

  20. Resonant-photoemission identification of the valence states of NiPS 3

    NASA Astrophysics Data System (ADS)

    Kelly, M. K.; Daniels, R. R.; Margaritondo, G.; Lévy, F.

    1984-04-01

    We monitored the resonant behavior of the Ni d satellite peaks in the valence band photoemission spectra of NiPS 3 at photon energies immediately below and immediately above the Ni3p threshold. The observed resonance gives an unequivocal identification of the satellite peaks and of the corresponding main Ni d features. The study of the electronic structure of this material and of the related compounds FePS 3 and HgPS 3 was extended to unoccupied states by means of partial-yield synchrotron-radiation photoemission spectroscopy.

  1. Photoemission using femtosecond laser pulses

    SciTech Connect

    Srinivasan-Rao, T.; Tsang, T.; Fischer, J.

    1991-10-01

    Successful operation of short wavelength FEL requires an electron bunch of current >100 A and normalized emittance < 1 mm-mrad. Recent experiments show that RF guns with photocathodes as the electron source may be the ideal candidate for achieving these parameters. To reduce the emittance growth due to space charge and RF dynamics effects, the gun may have to operate at high field gradient (hence at high RF frequency) and a spot size small compared to the aperture. This may necessitate the laser pulse duration to be in the subpicosecond regime to reduce the energy spread. We will present the behavior of metal photocathodes upon irradiation with femtosecond laser beams, comparison of linear and nonlinear photoemission, and scalability to high currents. Theoretical estimate of the intrinsic emittance at the photocathode in the presence of the anomalous heating of the electrons, and the tolerance on the surface roughness of the cathode material will be discussed.

  2. XPS Study of Plasma- and Argon Ion-Sputtered Polytetrafluoroethylene

    NASA Technical Reports Server (NTRS)

    Golub, Morton A.; Kliss, Mark (Technical Monitor)

    1997-01-01

    The similarity of plasma-polymerized tetrafluoroethylene (PPTFE) and the fluoropolymer film deposited by rf (radio frequency) plasma sputtering (SPTFE) of polytetrafluoroethylene (PTFE), noted earlier in the literature, has been reconfirmed. FT-IR (Fourier Transform Infrared), XPS (X ray Photoelectron Spectroscopy) and UV (ultraviolet) spectroscopy has been employed in apparently the first study to involve preparation of PPTFE and SPTFE in the same reactor and under comparable low-power plasma conditions. Most of the work concerned the use of He or Ar as sputtering gas, but some runs were also carried out with the other rare gases Ne, Kr and Xe. The C1s XPS spectra of SPTFE films displayed a relatively higher content of CF2 groups, and yielded higher F/C (fluorine / carbon) ratios, than PPTFE films, while the SPTFE films were somewhat more transparent in the UV than PPTFE. The F/C ratios for SPTFE were essentially independent of the rare gas used for sputtering. Increasing rf power from 10 to 50 W for Xe plasma-sputtering of PTFE resulted in successively lower F/C ratios (1.55 to 1.21), accompanied by sputtering of the glass reactor occurring at 40 W and above. Some limited XPS, FT-IR and UV data are presented on Ar ion-sputtered PTFE.

  3. A medium-energy photoemission and ab-initio investigation of cubic yttria-stabilised zirconia

    SciTech Connect

    Cousland, G. P.; Cui, X. Y.; Smith, A. E.; Stampfl, C. M.; Wong, L.; Tayebjee, M.; Yu, D.; Triani, G.; Evans, P. J.; Ruppender, H.-J.; Jang, L.-Y.; Stampfl, A. P. J.

    2014-04-14

    Experimental and theoretical investigations into the electronic properties and structure of cubic yttria-stabilized zirconia are presented. Medium-energy x-ray photoemission spectroscopy measurements have been carried out for material with a concentration of 8-9 mol. % yttria. Resonant photoemission spectra are obtained for a range of photon energies that traverse the L2 absorption edge for both zirconium and yttrium. Through correlation with results from density-functional theory (DFT) calculations, based on structural models proposed in the literature, we assign photoemission peaks appearing in the spectra to core lines and Auger transitions. An analysis of the core level features enables the identification of shifts in the core level energies due to different local chemical environments of the constituent atoms. In general, each core line feature can be decomposed into three contributions, with associated energy shifts. Their identification with results of DFT calculations carried out for proposed atomic structures, lends support to these structural models. The experimental results indicate a multi-atom resonant photoemission effect between nearest-neighbour oxygen and yttrium atoms. Near-edge x-ray absorption fine structure spectra for zirconium and yttrium are also presented, which correlate well with calculated Zr- and Y-4d electron partial density-of-states and with Auger electron peak area versus photon energy curve.

  4. A photoemission study of the diamond and the single crystal C60

    SciTech Connect

    Wu, Jin

    1994-03-01

    This report studied the elctronic structure of diamond (100) and diamond/metal interface and C60, using angle-resolved and core level photoemission. The C(100)-(2X1) surface electronic structure was studied using both core level and angle resolved valence band photoemission spectroscopy. The surface component of the C 1s core level spectrum agrees with theoretical existence of only symmetrical dimers. In the case of metal/diamond interfaces, core level and valence photoelectron spectroscopy and LEED studies WERE MADE OF B and Sb on diamond (100) and (111) surfaces. In the case of single-crystal C60, photoemission spectra show sharp molecular features, indicating that the molecular orbitals are relatively undisturbed in solid C60.

  5. Inverse-Photoemission Spectroscopy of Iron Oxides, Silver

    NASA Astrophysics Data System (ADS)

    Kim, Bongsoo

    1990-01-01

    I measured the inverse-photoemission spectra (IPES) of iron oxides grown on an Fe substrate, and calculated the band structure of paramagnetic FeO to analyze the IPES. The band calculation showed some overlap between Fe _3_{rm d} states and O_2_{rm p} states in the region of occupied states, and s,p-like states of Fe in the unoccupied region. Isochromatic IPES showed structures at ~2.5 eV and ~7.5 eV above the Fermi energy. I estimate the full band gap of FeO as 2.5 eV from the IPES data. Angle-resolved inverse-photoemission spectra (ARIPES) have been measured on single-crystal Ag. The results are compared with the predictions of bulk band-structure theory and a free-electron model. The latter gives good agreement for the structure with a final state near the Fermi energy. Band theory is needed for the structure 17 eV above the Fermi energy. This structure is very nondispersive, indicating the existence of a very flat band throughout the IXUL plane.

  6. XPS and SPR Analysis of Glycoarray Surface Density

    PubMed Central

    Dhayal, Marshal; Ratner, Daniel M.

    2009-01-01

    Despite the fact that the carbohydrate microarray has seen increasing use within the field of glycobiology, the surface chemistry of the glycoarray remains largely unexplored. Motivated by the need to develop surface analytical techniques to characterize carbohydrate-modified surfaces, we developed a quantitative X-ray Photoelectron Spectroscopy (XPS) and Surface Plasmon Resonance imaging (SPR imaging) method to study glycan biosensors. We performed a comparative analysis on the relative coverage of mixed self-assembled monolayers (SAMs) on gold, consisting of a thiol-functionalized trimannoside (Manα1,2Manα1,2Manα-OEG-SH) at varying concentrations (0 to 100%) mixed separately with two thiol-containing polyethylene glycol oligomers. XPS C1s core level analysis was used to identify the O-C-O functionality unique to the carbohydrate acetal moiety and to separate and quantify the relative coverage of sugar in carbohydrate/OEG mixed SAMs. XPS spectra of the mixed SAMs demonstrated a proportional increase in the acetal signature of the glycan with increasing sugar concentration. To relate surface glycan density with biological function, we carried out a kinetic analysis of Concanavalin A (ConA) binding to SAMs of varying densities of carbohydrate using SPR imaging. We observed protein-binding that was highly dependent on both glycan density and the nature of the OEG-thiol used in the mixed self-assembly. These results illustrate the utility of surface analytical techniques such as XPS and SPR in carbohydrate biosensor characterization and optimization. PMID:19199748

  7. Laser-assisted photoemission from surfaces

    SciTech Connect

    Saathoff, G.; Miaja-Avila, L.; Murnane, M. M.; Kapteyn, H. C.; Aeschlimann, M.

    2008-02-15

    We investigate the laser-assisted photoelectric effect from a solid surface. By illuminating a Pt(111) sample simultaneously with ultrashort 1.6 and 42 eV pulses, we observe sidebands in the extreme ultraviolet photoemission spectrum, and accurately extract their amplitudes over a wide range of laser intensities. Our results agree with a simple model, in which soft x-ray photoemission is accompanied by the interaction of the photoemitted electron with the laser field. This strong effect can definitively be distinguished from other laser surface interaction phenomena, such as hot electron excitation, above-threshold photoemission, and space-charge acceleration. Thus, laser-assisted photoemission from surfaces promises to extend pulse duration measurements to higher photon energies, as well as opening up measurements of femtosecond-to-attosecond electron dynamics in solid and surface-adsorbate systems.

  8. Coherent and incoherent processes in resonant photoemission

    SciTech Connect

    Magnuson, M.; Karis, O.; Weinelt, M.

    1997-04-01

    In this contribution the authors present the distinction between coherent and incoherent processes in resonant photoemission. As a first step they determine whether an autoionization process is photoemission-like or Auger-like. The discussion is based on measurements for a weakly bonded adsorption system, Ar/Pt(111). This type of system is well adapted to investigate these effects since it yields distinctly shifted spectral features depending on the nature of the process. After this, the question of resonance photoemission in metallic systems is addressed. This is done in connection with measurements at the 2p edges for Ni metal. Ni has been one of the prototype systems for resonant photoemission. The resonances have been discussed in connection with the strong correlation and d-band localization effects in this system. Based on the results some general comments about the appearance of resonant effects in metallic systems are made.

  9. Photoemission delay: The White Rabbit's clock

    NASA Astrophysics Data System (ADS)

    Calegari, Francesca

    2017-03-01

    Without a very precise timer one can never catch up with the electron released in photoemission. Attosecond streaking spectroscopy allows such a chronometer clock to be set to zero and reveals the role of electron correlations.

  10. Development of the Experimental System for Time- and Angle-resolved Photoemission Spectroscopy

    SciTech Connect

    Takahashi, Kazutoshi; Azuma, Junpei; Tokudomi, Shinji; Kamada, Masao

    2007-01-19

    Experimental system for the time- and angle-resolved photoemission spectroscopy have been constructed at BL13 in SAGA Light Source, in order to study the electronic non-equilibrium in the surface layer of laser-excited materials The experimental system is very useful for photoemission spectroscopy in the wide temporal and angular ranges. The time- and angle-resolved photoemission spectra can be obtained with using the gate electronics for the MCP detector of the photoemission spectrometer. The gated MCP detector is synchronized with the laser pulse from Ti:sapphire regenerative amplifier with the repetition frequency of 10 to 300 kHz. The time-window of the gated MCP detector can be changed between 10 nano- and 160 micro-second. The time-resolved measurement in pico-second region can be performed with using the pump-probe technique which uses fundamental, second and third harmonics from the Ti:sapphire laser as the excitation source. Using these systems, we can perform the time- and angle-resolved photoemission study for various photo-excited phenomena and surface dynamics.

  11. Zirconia-germanium interface photoemission spectroscopy using synchrotron radiation

    SciTech Connect

    Chui, Chi On

    2005-04-05

    An ultrathin zirconia gate dielectric had been successfully incorporated into germanium metal-oxide-semiconductor (MOS) devices demonstrating very high permittivity gate stacks with no apparent interfacial layer. In this study, synchrotron radiation photoemission spectroscopy has been applied on the same gate stack to identify and quantify the presence of any interfacial germanium sub-oxide layer. By taking progressive core- level spectra during the layer-by-layer removal of the zirconia film, an oxidized germanium layer with sub-monolayer thickness was found possibly arising from an interfacial Zr-O-Ge bonding configuration. In addition, the offsets in the valence band spectra were also monitored and the energy band diagram of the zirconia-germanium heterostructure was constructed. Compared to high-{kappa} gate stacks on Si, the thinner interfacial layer and larger conduction band offset in high-{kappa} gate stacks on Ge suggest better scalability towards an ultimately higher MOS gate capacitance.

  12. Electronic Structure of the Kitaev Material α-RuCl3 Probed by Photoemission and Inverse Photoemission Spectroscopies.

    PubMed

    Sinn, Soobin; Kim, Choong Hyun; Kim, Beom Hyun; Lee, Kyung Dong; Won, Choong Jae; Oh, Ji Seop; Han, Moonsup; Chang, Young Jun; Hur, Namjung; Sato, Hitoshi; Park, Byeong-Gyu; Kim, Changyoung; Kim, Hyeong-Do; Noh, Tae Won

    2016-12-21

    Recently, α-RuCl3 has attracted much attention as a possible material to realize the honeycomb Kitaev model of a quantum-spin-liquid state. Although the magnetic properties of α-RuCl3 have been extensively studied, its electronic structure, which is strongly related to its Kitaev physics, is poorly understood. Here, the electronic structure of α-RuCl3 was investigated by photoemission (PE) and inverse-photoemission (IPE) spectroscopies. The band gap was directly measured from the PE and IPE spectra and was found to be 1.9 eV, much larger than previously estimated values. Local density approximation (LDA) calculations showed that the on-site Coulomb interaction U could open the band gap without spin-orbit coupling (SOC). However, the SOC should also be incorporated to reproduce the proper gap size, indicating that the interplay between U and SOC plays an essential role. Several features of the PE and IPE spectra could not be explained by the results of LDA calculations. To explain such discrepancies, we performed configuration-interaction calculations for a RuCl6(3-) cluster. The experimental data and calculations demonstrated that the 4d compound α-RuCl3 is a Jeff = 1/2 Mott insulator rather than a quasimolecular-orbital insulator. Our study also provides important physical parameters required for verifying the proposed Kitaev physics in α-RuCl3.

  13. Electronic Structure of the Kitaev Material α-RuCl3 Probed by Photoemission and Inverse Photoemission Spectroscopies

    PubMed Central

    Sinn, Soobin; Kim, Choong Hyun; Kim, Beom Hyun; Lee, Kyung Dong; Won, Choong Jae; Oh, Ji Seop; Han, Moonsup; Chang, Young Jun; Hur, Namjung; Sato, Hitoshi; Park, Byeong-Gyu; Kim, Changyoung; Kim, Hyeong-Do; Noh, Tae Won

    2016-01-01

    Recently, α-RuCl3 has attracted much attention as a possible material to realize the honeycomb Kitaev model of a quantum-spin-liquid state. Although the magnetic properties of α-RuCl3 have been extensively studied, its electronic structure, which is strongly related to its Kitaev physics, is poorly understood. Here, the electronic structure of α-RuCl3 was investigated by photoemission (PE) and inverse-photoemission (IPE) spectroscopies. The band gap was directly measured from the PE and IPE spectra and was found to be 1.9 eV, much larger than previously estimated values. Local density approximation (LDA) calculations showed that the on-site Coulomb interaction U could open the band gap without spin-orbit coupling (SOC). However, the SOC should also be incorporated to reproduce the proper gap size, indicating that the interplay between U and SOC plays an essential role. Several features of the PE and IPE spectra could not be explained by the results of LDA calculations. To explain such discrepancies, we performed configuration-interaction calculations for a RuCl63− cluster. The experimental data and calculations demonstrated that the 4d compound α-RuCl3 is a Jeff = 1/2 Mott insulator rather than a quasimolecular-orbital insulator. Our study also provides important physical parameters required for verifying the proposed Kitaev physics in α-RuCl3. PMID:28000731

  14. Electronic Structure of the Kitaev Material α-RuCl3 Probed by Photoemission and Inverse Photoemission Spectroscopies

    NASA Astrophysics Data System (ADS)

    Sinn, Soobin; Kim, Choong Hyun; Kim, Beom Hyun; Lee, Kyung Dong; Won, Choong Jae; Oh, Ji Seop; Han, Moonsup; Chang, Young Jun; Hur, Namjung; Sato, Hitoshi; Park, Byeong-Gyu; Kim, Changyoung; Kim, Hyeong-Do; Noh, Tae Won

    2016-12-01

    Recently, α-RuCl3 has attracted much attention as a possible material to realize the honeycomb Kitaev model of a quantum-spin-liquid state. Although the magnetic properties of α-RuCl3 have been extensively studied, its electronic structure, which is strongly related to its Kitaev physics, is poorly understood. Here, the electronic structure of α-RuCl3 was investigated by photoemission (PE) and inverse-photoemission (IPE) spectroscopies. The band gap was directly measured from the PE and IPE spectra and was found to be 1.9 eV, much larger than previously estimated values. Local density approximation (LDA) calculations showed that the on-site Coulomb interaction U could open the band gap without spin-orbit coupling (SOC). However, the SOC should also be incorporated to reproduce the proper gap size, indicating that the interplay between U and SOC plays an essential role. Several features of the PE and IPE spectra could not be explained by the results of LDA calculations. To explain such discrepancies, we performed configuration-interaction calculations for a RuCl63‑ cluster. The experimental data and calculations demonstrated that the 4d compound α-RuCl3 is a Jeff = 1/2 Mott insulator rather than a quasimolecular-orbital insulator. Our study also provides important physical parameters required for verifying the proposed Kitaev physics in α-RuCl3.

  15. Calculations of Photoemission from Rutile

    NASA Astrophysics Data System (ADS)

    Hjalmarson, Harold; Schultz, Peter; Moore, Chris

    2015-03-01

    Photoemission is a well-known mechanism for release of electrons from a surface during electrical breakdown of a gas such as air. During air breakdown, UV photons, which are emitted from the highly excited gas molecules, are absorbed in the surfaces such as the cathode and the anode. These absorbed photons create energetic electrons, and a small portion of these electrons reach the surface. Those that overcome the potential energy barrier at the surface tend to be emitted. In this talk, the Boltzmann equation that describes these phenomena is formulated. A Monte Carlo probabilistic method is used to obtain the rate of electron emission as a function of photon energy. The role of bandstructure effects will be discussed. This bandstructure information is obtained by using a density-functional theory (DFT) method. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

  16. Comparative time-resolved photoemission from the Cu(100) and Cu(111) surfaces

    NASA Astrophysics Data System (ADS)

    Ambrosio, Marcelo J.; Thumm, Uwe

    2016-12-01

    Motivated by the striking dependence of the valence electronic structure of transition metal surfaces on their crystallographic orientation, and by emerging experiments on laser-assisted extended ultraviolet (XUV) photoemission from solid surfaces, we calculate photoemission spectra from Cu(100) and Cu(111) surfaces as a function of the photoelectron final kinetic energy and the delay between the ionizing attosecond XUV pulse train and assisting infrared (IR) laser pulse. Our numerical simulations predict distinct differences in delay-dependent photoelectron energy distributions and photoemission time delays for Cu(100) and Cu(111) surfaces. These differences can be scrutinized experimentally with existing technology in a suggested in situ comparative RABBITT (reconstruction of attosecond beating by interference of two-photon transitions) configuration by placing the two surfaces on a sliding platform while keeping all optical components and pathlengths fixed. Our calculations also show that the inclusion of the Fresnel-reflected incident IR pulse at the metal-vacuum interface modifies photoelectron spectra and photoemission time delays in a characteristic way that reveals the degree of spatial location of the initial electronic states.

  17. An XPS study of silicon/noble metal interfaces - Bonding trends and correlations with the Schottky barrier heights

    NASA Technical Reports Server (NTRS)

    Grunthaner, P. J.; Grunthaner, F. J.; Madhukar, A.

    1983-01-01

    This X-ray photoemission (XPS) study demonstrates a correlation of intrinsic TM-Si chemical bond formation with Schottky barrier heights for the near-noble transition metals (TM = Ni, Pd, Pt) and their corresponding silicides (TM2Si and TMSi) on Si(100). It is found that the barrier height correlates with the strength of the TM-Si orbital interaction as well as with the charge density around the Si atom. These observations suggest a dominant role for intrinsic chemical interactions in establishing the Schottky barrier heights in these TM-Si systems.

  18. Bulk photoemission from metal films and nanoparticles

    SciTech Connect

    Ikhsanov, R Sh; Babicheva, V E; Protsenko, I E; Uskov, A V; Guzhva, M E

    2015-01-31

    Internal emission of photoelectrons from metal films and nanoparticles (nanowires and nanospheres) into a semiconductor matrix is studied theoretically by taking into account the jump of the effective electron mass at the metal – semiconductor interface and the cooling effect of hot electrons due to electron – electron collisions in the metal. The internal quantum efficiency of photoemission for the film and nanoparticles of two types (nanospheres and nanowires) is calculated. It is shown that the reduction of the effective mass of the electron during its transition from metal to semiconductor may lead to a significant (orders of magnitude and higher) decrease in the internal quantum efficiency of bulk photoemission. (nanostructures)

  19. An XPS study on the impact of relative humidity on the aging of UO2 powders

    DOE PAGES

    Donald, Scott B.; Dai, Zurong R.; Davisson, M. Lee; ...

    2017-02-10

    High resolution x-ray photoemission spectroscopy (XPS) was used to characterize the chemical speciation of high purity uranium dioxide (UO2) powder samples following aging for periods of up to one year under controlled conditions with relative humidity ranging from 34% to 98%. A systematic shift to higher uranium oxidation states, and thus an increase in the mean uranium valence, was found to directly correlate with the dose of water received (i.e. the product of exposure time and relative humidity). Exposure duration was found to have a greater impact on sample aging than relative humidity. Lastly, the sample aged at 98% relativemore » humidity was found to have unique structural differences for exposure time beyond 180 days when observed by scanning electron microscopy (SEM).« less

  20. An XPS study on the impact of relative humidity on the aging of UO2 powders

    NASA Astrophysics Data System (ADS)

    Donald, Scott B.; Dai, Zurong R.; Davisson, M. Lee; Jeffries, Jason R.; Nelson, Art J.

    2017-04-01

    High resolution x-ray photoemission spectroscopy (XPS) was used to characterize the chemical speciation of high purity uranium dioxide (UO2) powder samples following aging for periods of up to one year under controlled conditions with relative humidity ranging from 34% to 98%. A systematic shift to higher uranium oxidation states, and thus an increase in the mean uranium valence, was found to directly correlate with the dose of water received (i.e. the product of exposure time and relative humidity). Exposure duration was found to have a greater impact on sample aging than relative humidity. The sample aged at 98% relative humidity was found to have unique structural differences for exposure time beyond 180 days when observed by scanning electron microscopy (SEM).

  1. Einstein's Photoemission from Quantum Confined Superlattices.

    PubMed

    Debbarma, S; Ghatak, K P

    2016-01-01

    This paper is dedicated to the 83th Birthday of Late Professor B. R. Nag, D.Sc., formerly Head of the Departments of Radio Physics and Electronics and Electronic Science of the University of Calcutta, a firm believer of the concept of theoretical minimum of Landau and an internationally well known semiconductor physicist, to whom the second author remains ever grateful as a student and research worker from 1974-2004. In this paper, an attempt is made to study, the Einstein's photoemission (EP) from III-V, II-VI, IV-VI, HgTe/CdTe and strained layer quantum well heavily doped superlattices (QWHDSLs) with graded interfaces in the presence of quantizing magnetic field on the basis of newly formulated electron dispersion relations within the frame work of k · p formalism. The EP from III-V, II-VI, IV-VI, HgTe/CdTe and strained layer quantum wells of heavily doped effective mass superlattices respectively has been presented under magnetic quantization. Besides the said emissions, from the quantum dots of the aforementioned heavily doped SLs have further investigated for the purpose of comparison and complete investigation in the context of EP from quantum confined superlattices. Using appropriate SLs, it appears that the EP increases with increasing surface electron concentration and decreasing film thickness in spiky manners, which are the characteristic features of such quantized hetero structures. Under magnetic quantization, the EP oscillates with inverse quantizing magnetic field due to Shuvnikov-de Haas effect. The EP increases with increasing photo energy in a step-like manner and the numerical values of EP with all the physical variables are totally band structure dependent for all the cases. The most striking features are that the presence of poles in the dispersion relation of the materials in the absence of band tails create the complex energy spectra in the corresponding HD constituent materials of such quantum confined superlattices and effective electron

  2. XPS Study of Thermally Evaporated Ge-Sb-Te Amorphous Thin Films

    SciTech Connect

    Kumar, Sandeep; Singh, Digvijay; Thangaraj, R.

    2011-12-12

    Amorphous thin films were prepared from the bulk composition of Ge{sub 22}Sb{sub 22}Te{sub 56}(GST) alloy by thermal evaporation in good vacuum condition. The amorphous nature of as-deposited films was checked with x-ray diffraction (XRD) studies. X-ray photoelectron spectroscopy (XPS) has been used to determine the binding energies of the core electrons in amorphous thin GST films. In XPS, we performed the survey scan from the binding energy (BE) range from 0-1100 eV and core level spectra of Ge 3d, Sb 3d and Te 3d.

  3. XPS study of protein adsorption onto nanocrystalline aluminosilicate microparticles

    NASA Astrophysics Data System (ADS)

    Vanea, E.; Simon, V.

    2011-01-01

    X-ray photoelectron spectroscopy (XPS) was used to study the interaction of two different sized proteins, bovine serum albumin (BSA) and fibrinogen, with an aluminosilicate system containing yttrium and iron that is a potential biomaterial. Serum albumin and fibrinogen are two major plasma proteins and the most relevant proteins adsorbed on the surface of biomaterials in blood contact. The aluminosilicate samples were incubated for several exposure times, up to 24 h, in simulated body fluid enriched with BSA, and in buffered fibrinogen solution. Time dependence of proteins adsorption onto surface of the investigated samples is reflected by the evolution of the new N 1s photoelectron peak and by the modification of C 1s core-level spectra recorded from the samples immersed in protein solution.

  4. Attosecond-controlled photoemission from metal nanowire tips in the few-electron regime

    NASA Astrophysics Data System (ADS)

    Ahn, B.; Schötz, J.; Kang, M.; Okell, W. A.; Mitra, S.; Förg, B.; Zherebtsov, S.; Süßmann, F.; Burger, C.; Kübel, M.; Liu, C.; Wirth, A.; Di Fabrizio, E.; Yanagisawa, H.; Kim, D.; Kim, B.; Kling, M. F.

    2017-03-01

    Metal nanotip photoemitters have proven to be versatile in fundamental nanoplasmonics research and applications, including, e.g., the generation of ultrafast electron pulses, the adiabatic focusing of plasmons, and as light-triggered electron sources for microscopy. Here, we report the generation of high energy photoelectrons (up to 160 eV) in photoemission from single-crystalline nanowire tips in few-cycle, 750-nm laser fields at peak intensities of (2-7.3) × 1012 W/cm2. Recording the carrier-envelope phase (CEP)-dependent photoemission from the nanowire tips allows us to identify rescattering contributions and also permits us to determine the high-energy cutoff of the electron spectra as a function of laser intensity. So far these types of experiments from metal nanotips have been limited to an emission regime with less than one electron per pulse. We detect up to 13 e/shot and given the limited detection efficiency, we expect up to a few ten times more electrons being emitted from the nanowire. Within the investigated intensity range, we find linear scaling of cutoff energies. The nonlinear scaling of electron count rates is consistent with tunneling photoemission occurring in the absence of significant charge interaction. The high electron energy gain is attributed to field-induced rescattering in the enhanced nanolocalized fields at the wires apex, where a strong CEP-modulation is indicative of the attosecond control of photoemission.

  5. PHOTOEMISSION AS A PROBE OF THE COLLECTIVE EXCITATIONS IN CONDENSED MATTER SYSTEMS.

    SciTech Connect

    JOHNSON, P.D.; VALLA, T.

    2006-08-01

    New developments in instrumentation have recently allowed photoemission measurements to be performed with very high energy and momentum resolution.[1] This has allowed detailed studies of the self-energy corrections to the lifetime and mass renormalization of excitations in the vicinity of the Fermi level. These developments come at an opportune time. Indeed the discovery of high temperature superconductivity in the cuprates and related systems is presenting a range of challenges for condensed matter physics.[2] Does the mechanism of high T{sub c} superconductivity represent new physics? Do we need to go beyond Landau's concept of the Fermi liquid?[3] What, if any, is the evidence for the presence or absence of quasiparticles in the excitation spectra of these complex oxides? The energy resolution of the new instruments is comparable to or better than the energy or temperature scale of superconductivity and the energy of many collective excitations. As such, photoemission has again become recognized as an important probe of condensed matter. Studies of the high T{sub c} superconductors and related materials are aided by the observation that they are two dimensional. To understand this, we note that the photoemission process results in both an excited photoelectron and a photohole in the final state. Thus the experimentally measured photoemission peak is broadened to a width reflecting contributions from both the finite lifetime of the photohole and the momentum broadening of the outgoing photoelectron.

  6. Attosecond time-resolved streaked photoemission from Mg-covered W(110) surfaces

    NASA Astrophysics Data System (ADS)

    Liao, Qing; Thumm, Uwe

    2015-09-01

    We formulate a quantum-mechanical model for infrared-streaked photoelectron (PE) emission by ultrashort extreme ultraviolet (XUV) pulses from an adsorbate-covered metal surface, exposing the influence of microscopic PE dispersion in substrate and adsorbate on the interpretation of streaked photoemission spectra and photoemission time delays. We validate this numerical model first by reproducing measured relative photoemission delays (a) between valence-band and 2 p -core-level (CL) PEs emitted from clean Mg(0001) surfaces and (b) between conduction-band (CB) and 4 f -CL PEs from clean W(110) surfaces at two XUV-pulse central photon energies. Next, applying this model to ultrathin Mg adsorbate layers on W(110) substrates, we reproduce (i) the measured nonmonotonic dependence of relative photoemission delays between CB and Mg (2 p ) PEs and (ii) the monotonic dependence of relative delays between W (4 f ) and Mg (2 p ) PEs in a recent experiment [S. Neppl et al., Nature (London) 517, 342 (2015), 10.1038/nature14094].

  7. A New Spin on Photoemission Spectroscopy

    SciTech Connect

    Jozwiak, Chris

    2008-12-01

    The electronic spin degree of freedom is of general fundamental importance to all matter. Understanding its complex roles and behavior in the solid state, particularly in highly correlated and magnetic materials, has grown increasingly desirable as technology demands advanced devices and materials based on ever stricter comprehension and control of the electron spin. However, direct and efficient spin dependent probes of electronic structure are currently lacking. Angle Resolved Photoemission Spectroscopy (ARPES) has become one of the most successful experimental tools for elucidating solid state electronic structures, bolstered by-continual breakthroughs in efficient instrumentation. In contrast, spin-resolved photoemission spectroscopy has lagged behind due to a lack of similar instrumental advances. The power of photoemission spectroscopy and the pertinence of electronic spin in the current research climate combine to make breakthroughs in Spin and Angle Resolved Photoemission Spectroscopy (SARPES) a high priority . This thesis details the development of a unique instrument for efficient SARPES and represents a radical departure from conventional methods. A custom designed spin polarimeter based on low energy exchange scattering is developed, with projected efficiency gains of two orders of magnitude over current state-of-the-art polarimeters. For energy analysis, the popular hemispherical analyzer is eschewed for a custom Time-of-Flight (TOF) analyzer offering an additional order of magnitude gain in efficiency. The combined instrument signifies the breakthrough needed to perform the high resolution SARPES experiments necessary for untangling the complex spin-dependent electronic structures central to today's condensed matter physics.

  8. Angle-resolved photoemission spectroscopy of the insulating NaxWO3: Anderson localization, polaron formation, and remnant Fermi surface.

    PubMed

    Raj, S; Hashimoto, D; Matsui, H; Souma, S; Sato, T; Takahashi, T; Sarma, D D; Mahadevan, Priya; Oishi, S

    2006-04-14

    The electronic structure of the insulating sodium tungsten bronze, Na(0.025)WO(3), is investigated by high-resolution angle-resolved photoemission spectroscopy. We find that near-E(F) states are localized due to the strong disorder arising from random distribution of Na+ ions in the WO(3) lattice, which makes the system insulating. The temperature dependence of photoemission spectra provides direct evidence for polaron formation. The remnant Fermi surface of the insulator is found to be the replica of the real Fermi surface in the metallic system.

  9. XPS and SAM studies of the surface chemistry of lunar impact glasses including 12054

    NASA Technical Reports Server (NTRS)

    Housley, R. M.; Grant, R. W.; Cirlin, E. H.

    1979-01-01

    We report and discuss quantitative X-ray photoemission (XPS) analyses of mm size areas and qualitative scanning Auger microprobe (SAM) analyses of micron size areas on the surfaces of impact glass coatings found on fragments in the 14161 coarse fines and on the top surface, and a reentrant crack surface of rock 12054. The data suggest that some segregation occurs during impact glass formation leading to surface enrichments in Si and depletions in Mg, Al, Ca, and Ti. The magnitude of the effect appears fairly small, although the complexity of the surfaces severely complicates the data analysis. Because of the complexity of the surfaces, both XPS and SAM data were essential. A search for direct evidence of either solar wind sputter erosion or vapor deposition on the exposed top surface of 12054 provided interesting results which we cannot yet fully interpret. Both this surface and the surface from the re-entrant crack showed enrichments of more than a factor of two in Fe with respect to the bulk.

  10. Generalized molybdenum oxide surface chemical state XPS determination via informed amorphous sample model

    NASA Astrophysics Data System (ADS)

    Baltrusaitis, Jonas; Mendoza-Sanchez, Beatriz; Fernandez, Vincent; Veenstra, Rick; Dukstiene, Nijole; Roberts, Adam; Fairley, Neal

    2015-01-01

    Accurate elemental oxidation state determination for the outer surface of a complex material is of crucial importance in many science and engineering disciplines, including chemistry, fundamental and applied surface science, catalysis, semiconductors and many others. X-ray photoelectron spectroscopy (XPS) is the primary tool used for this purpose. The spectral data obtained, however, is often very complex and can be subject to incorrect interpretation. Unlike traditional XPS spectra fitting procedures using purely synthetic spectral components, here we develop and present an XPS data processing method based on vector analysis that allows creating XPS spectral components by incorporating key information, obtained experimentally. XPS spectral data, obtained from series of molybdenum oxide samples with varying oxidation states and degree of crystallinity, were processed using this method and the corresponding oxidation states present, as well as their relative distribution was elucidated. It was shown that monitoring the evolution of the chemistry and crystal structure of a molybdenum oxide sample due to an invasive X-ray probe could be used to infer solutions to complex spectral envelopes.

  11. XPS and bioactivity study of the bisphosphonate pamidronate adsorbed onto plasma sprayed hydroxyapatite coatings

    NASA Astrophysics Data System (ADS)

    McLeod, Kate; Kumar, Sunil; Smart, Roger St. C.; Dutta, Naba; Voelcker, Nicolas H.; Anderson, Gail I.; Sekel, Ron

    2006-12-01

    This paper reports the use of X-ray photoelectron spectroscopy (XPS) to investigate bisphosphonate (BP) adsorption onto plasma sprayed hydroxyapatite (HA) coatings commonly used for orthopaedic implants. BPs exhibit high binding affinity for the calcium present in HA and hence can be adsorbed onto HA-coated implants to exploit their beneficial properties for improved bone growth at the implant interface. A rigorous XPS analysis of pamidronate, a commonly used nitrogenous BP, adsorbed onto plasma sprayed HA-coated cobalt-chromium substrates has been carried out, aimed at: (a) confirming the adsorption of this BP onto HA; (b) studying the BP diffusion profile in the HA coating by employing the technique of XPS depth profiling; (c) confirming the bioactivity of the adsorbed BP. XPS spectra of plasma sprayed HA-coated discs exposed to a 10 mM aqueous BP solution (pamidronate) for periods of 1, 2 and 24 h showed nitrogen and phosphorous photoelectron signals corresponding to the BP, confirming its adsorption onto the HA substrate. XPS depth profiling of the 2 h BP-exposed HA discs showed penetration of the BP into the HA matrix to depths of at least 260 nm. The bioactivity of the adsorbed BP was confirmed by the observed inhibition of osteoclast (bone resorbing) cell activity. In comparison to the HA sample, the HA sample with adsorbed BP exhibited a 25-fold decrease in primary osteoclast cells.

  12. Gauge invariance in the theoretical description of time-resolved angle-resolved pump/probe photoemission spectroscopy

    SciTech Connect

    Freericks, J. K.; Krishnamurthy, H. R.; Sentef, M. A.; Devereaux, T. P.

    2015-10-01

    Nonequilibrium calculations in the presence of an electric field are usually performed in a gauge, and need to be transformed to reveal the gauge-invariant observables. In this work, we discuss the issue of gauge invariance in the context of time-resolved angle-resolved pump/probe photoemission. If the probe is applied while the pump is still on, one must ensure that the calculations of the observed photocurrent are gauge invariant. We also discuss the requirement of the photoemission signal to be positive and the relationship of this constraint to gauge invariance. We end by discussing some technical details related to the perturbative derivation of the photoemission spectra, which involve processes where the pump pulse photoexcites electrons due to nonequilibrium effects.

  13. Signature of polaron formation in Na0.025WO3: Photoemission and X-ray diffraction investigations

    NASA Astrophysics Data System (ADS)

    Paul, Sanhita; Ghosh, Anirudha; Raj, Satyabrata

    2013-06-01

    We have carried out temperature dependent high-resolution angle-resolved photoemission spectroscopy and x-ray diffraction studies on non-stoichiometric sodium tungsten bronzes (NaxWO3 for x=0.025). Our photoemission investigation shows evidence for polaron formation at the valence band edge and the photoemission spectra collected in different modes of the electron analyzer suggest that the density of states at valence band edge gradually moves to other k-points in the Brillouin zone with increasing temperature and explain the dynamics of polaron formation in Na0.025WO3. Infact our x-ray diffraction measurements reveal a structural modification of Na0.025WO3 around 230K. The corner sharing WO6 octadedra gets sufficiently distorted at low temperature due to displacement of tugsten and oxygen atoms from their mean position. This structural modification induces polaron formation in Na0.025WO3 below 230K.

  14. XPS Study of Some Dilute Magnetic Semiconductors

    NASA Astrophysics Data System (ADS)

    Singhal, R. K.; Sharma, S. C.; Jakhar, N.

    2011-10-01

    In search for room temperature ferromagnetism (RTFM) in nominally doped oxides like ZnO, CeO2, TiO2 etc., several research attempts have been made in recent years. Unfortunately, these could not reach definite conclusions owing to controversial reports and the mechanism of FM ordering continues to remain illusive. We have synthesized Cr and Ni doped (5% each) ZnO bulk samples and studied their structural, electronic and magnetic properties. The magnetization and x-ray photoelectron spectroscopic (XPS) studies on these samples are presented and the electronic structure findings are correlated with magnetic properties.

  15. Photoemission and the electronic properties of heavy fermions -- limitations of the Kondo model

    SciTech Connect

    Joyce, J.J.; Arko, A.J.; Andrews, A.B.

    1993-09-01

    The electronic properties of Yb-based heavy fermions have been investigated by means of high resolution synchrotron radiation photoemission and compared with predictions of the Kondo model. The Yb heavy fermion photoemission spectra show massive disagreement with the Kondo model predictions (as calculated within the Gunnarsson-Schonhammer computational method). Moreover, the Yb heavy fermion photoemission spectra give very strong indications of core-like characteristics and compare favorable to purely divalent Yb metal and core-like Lu 4f levels. The heavy fermions YbCu{sub 2}Si{sub 2}, YbAgCu{sub 4} and YbAl{sub 3} were measured and shown to have lineshapes much broader and deeper in binding energy than predicted by the Kondo model. The lineshape of the bulk component of the 4f emission for these three heavy fermion materials was compared with that from Yb metal and the Lu 4f levels in LuAl{sub 3}, the heavy fermion materials show no substantive spectroscopic differences from simple 4f levels observed in Yb metal and LuAl{sub 3}. Also, the variation with temperature of the 4f fineshape was measured for Yb metal and clearly demonstrates that phonon broadening plays a major role in 4f level lineshape analysis and must be accounted for before considerations of correlated electron resonance effects are presumed to be at work.

  16. Raising Photoemission Efficiency with Surface Acoustic Waves

    SciTech Connect

    A. Afanasev, F. Hassani, C.E. Korman, V.G. Dudnikov, R.P. Johnson, M. Poelker, K.E.L. Surles-Law

    2012-07-01

    We are developing a novel technique that may help increase the efficiency and reduce costs of photoelectron sources used at electron accelerators. The technique is based on the use of Surface Acoustic Waves (SAW) in piezoelectric materials, such as GaAs, that are commonly used as photocathodes. Piezoelectric fields produced by the traveling SAW spatially separate electrons and holes, reducing their probability of recombination, thereby enhancing the photoemission quantum efficiency of the photocathode. Additional advantages could be increased polarization provided by the enhanced mobility of charge carriers that can be controlled by the SAW and the ionization of optically-generated excitons resulting in the creation of additional electron-hole pairs. It is expected that these novel features will reduce the cost of accelerator operation. A theoretical model for photoemission in the presence of SAW has been developed, and experimental tests of the technique are underway.

  17. 5f Resonant photoemission from plutonium

    NASA Astrophysics Data System (ADS)

    Terry, J.; Schulze, R. K.; Farr, J. D.; Zocco, T.; Heinzelman, K.; Rotenberg, E.; Shuh, D. K.; Van der Laan, G.; Arena, D. A.; Tobin, J. G.

    2002-02-01

    Experimental resonant photoemission (ResPes) results for α-Pu and δ-Pu bulk samples are presented and compared to the results of an atomic model calculation. Both Pu samples exhibit limited agreement with the atomic model calculations. As expected, α-Pu appears to have more 5f valence band delocalization than δ-Pu. Evidence of an enhanced sensitivity to surface corruption, by using synchrotron radiation as the excitation, is presented.

  18. Copper resinate: an XPS study of degradation

    NASA Astrophysics Data System (ADS)

    Altavilla, C.; Ciliberto, E.

    2006-06-01

    In this paper, we describe an X-ray photoelectron spectroscopy (XPS) study of copper resinate, a transparent green glaze that is coloured by copper salts of resin acids. This pigment was used in Europe in the fifteenth and sixteenth centuries, but it does not seem to be a usual feature of the palette anywhere after the end of the sixteenth century, because its tendency to discolour was already widely known by artists. An essential prerequisite for the restoration of works of art is the understanding of the effects of various climatic parameters on the deterioration process. For this reason, pictorial models of copper resinate in linseed oil, capable of simulating the ancient paintings on mobile supports, were prepared and aged in a climatic chamber, under different conditions such as exposure to UV radiations, humidity and different concentration of chemical pollutants (NO2 and SO2). All the samples were investigated by XPS and the data obtained were evaluated in order to estimate aging effects as well as mechanisms of degradation. On these paint layers damage induced by X-ray irradiation was also verified.

  19. Angle-resolved photoemission spectroscopy of liquid water at 29.5 eV

    PubMed Central

    Nishitani, Junichi; West, Christopher W.; Suzuki, Toshinori

    2017-01-01

    Angle-resolved photoemission spectroscopy of liquid water was performed using extreme ultraviolet radiation at 29.5 eV and a time-of-flight photoelectron spectrometer. SiC/Mg coated mirrors were employed to select the single-order 19th harmonic from laser high harmonics, which provided a constant photon flux for different laser polarizations. The instrument was tested by measuring photoemission anisotropy for rare gases and water molecules and applied to a microjet of an aqueous NaI solution. The solute concentration was adjusted to eliminate an electric field gradient around the microjet. The observed photoelectron spectra were analyzed considering contributions from liquid water, water vapor, and an isotropic background. The anisotropy parameters of the valence bands (1b1, 3a1, and 1b2) of liquid water are considerably smaller than those of gaseous water, which is primarily attributed to electron scattering in liquid water. PMID:28405592

  20. Cluster-surface interaction studied by time-resolved two-photon photoemission

    NASA Astrophysics Data System (ADS)

    Busolt, U.; Cottancin, E.; Röhr, H.; Socaciu, L.; Leisner, T.; Wöste, L.

    We use time-resolved two-photon photoemission to study the stability of size selected Agn+ clusters (n=2-9)deposited onto highly oriented pyrolytic graphite (HOPG) substrates at liquid nitrogen temperatures. The deposition was carried out with variable kinetic energies of the clusters. Clusters deposited with high kinetic energy (up to 60 eV/cluster) become fragmented upon impact. For low deposition energies (1-4 eV/cluster) the size dependence of the photoelectron spectra reveals a pronounced odd/even effect, which is well known for gas phase silver clusters. This indicates that the soft deposited clusters retain their size and identity on the sample. The phase of the odd/even effect suggests that transient negatively charged cluster ions serve as an intermediate step in the two-photon photoemission process. The lifetime of the anions rises with cluster size. This is attributed to an increasing electronic density of states for larger clusters.

  1. Angle resolved photoemission spectroscopy and surface states

    NASA Astrophysics Data System (ADS)

    Kar, Nikhiles

    2016-10-01

    Angle Resolved Photo Emission Spectroscopy (ARPES) has been a very effective tool to study the electronic states of solids, from simple metals to complex systems like cuprate superconductors. For photon energy in the range of 10 - 100 eV, it is a surface sensitive process as the free path of the photo emitted electrons is of the order of a few lattice parameters. However to interpret the experimental data one needs to have a theoretical foundation for the photoemission process. From the theory of photoemission it may be seen that one can get information about the state from which the electron has been excited. As the translational periodicity is broken normal to the surface, a new type of electron state in the forbidden energy gap can exist localized in the surface region. ARPES can reveal the existence and the property of such surface states. We shall also discuss briefly how the electromagnetic field of the photons are influenced by the presence of the surface and how one can try to take that into account in photoemission theory.

  2. A single-source precursor approach to solution processed indium arsenide thin films† †Electronic supplementary information (ESI) available: Table listing selected bond lengths and angles for InAs precursor complex. Cross-sectional SEM of InAs thin film. XPS depth profile spectra of InAs thin film. Valence band XPS of InAs thin film and standard. CCDC 1477895. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c6tc02293f Click here for additional data file. Click here for additional data file.

    PubMed Central

    Marchand, Peter; Sathasivam, Sanjayan; Williamson, Benjamin A. D.; Pugh, David; Bawaked, Salem M.; Basahel, Sulaiman N.; Obaid, Abdullah Y.; Scanlon, David O.; Parkin, Ivan P.

    2016-01-01

    This paper reports the synthesis of the novel single-source precursor, [{(MeInAstBu)3}2(Me2InAs(tBu)H)2] and the subsequent first report of aerosol-assisted chemical vapour deposition of InAs thin films. Owing to the use of the single-source precursor, highly crystalline and stoichiometric films were grown at a relatively low deposition temperature of 450 °C. Core level XPS depth profiling studies showed some partial oxidation of the film surface, however this was self-limiting and disappeared on etch profiles. Valence band XPS analysis matched well with the simulated density of state spectrum. Hall effect measurements performed on the films showed that the films were n-type with promising resistivity (3.6 × 10–3 Ω cm) and carrier mobility (410 cm2 V–1 s–1) values despite growth on amorphous glass substrates. PMID:27774150

  3. Conduction band offset at GeO{sub 2}/Ge interface determined by internal photoemission and charge-corrected x-ray photoelectron spectroscopies

    SciTech Connect

    Zhang, W. F.; Nishimula, T.; Nagashio, K.; Kita, K.; Toriumi, A.

    2013-03-11

    We report a consistent conduction band offset (CBO) at a GeO{sub 2}/Ge interface determined by internal photoemission spectroscopy (IPE) and charge-corrected X-ray photoelectron spectroscopy (XPS). IPE results showed that the CBO value was larger than 1.5 eV irrespective of metal electrode and substrate type variance, while an accurate determination of valence band offset (VBO) by XPS requires a careful correction of differential charging phenomena. The VBO value was determined to be 3.60 {+-} 0.2 eV by XPS after charge correction, thus yielding a CBO (1.60 {+-} 0.2 eV) in excellent agreement with the IPE results. Such a large CBO (>1.5 eV) confirmed here is promising in terms of using GeO{sub 2} as a potential passivation layer for future Ge-based scaled CMOS devices.

  4. Photoemission starting of induction rf-driven multicusp ion sources

    NASA Astrophysics Data System (ADS)

    Pickard, D. S.; Leung, K. N.; Perkins, L. T.; Ponce, D. M.; Young, A. T.

    1996-02-01

    It has been demonstrated that pulsed and continuous wave, rf-driven hydrogen discharges can be started with photoemission. The extracted H- current from a photoemission-started plasma has been investigated and does not differ significantly from that of a filament-started plasma. The minimum pressure for photoemissive starting was found to be higher than that of filament starting, 17 mTorr compared to 7 mTorr, respectively, in this particular configuration.

  5. Valence band dispersion measurements of perovskite single crystals using angle-resolved photoemission spectroscopy.

    PubMed

    Wang, Congcong; Ecker, Benjamin R; Wei, Haotong; Huang, Jinsong; Meng, Jian-Qiao; Gao, Yongli

    2017-02-15

    The electronic structure of a cleaved perovskite (CH3NH3PbBr3) single crystal was studied in an ultra-high vacuum (UHV) system using angle-resolved photoemission spectroscopy (ARPES) and inverse photoelectron spectroscopy (IPES). Highly reproducible dispersive features of the valence bands were observed with symmetry about the Brillouin zone center and boundaries. The largest dispersion width was found to be ∼0.73 eV and ∼0.98 eV along the ΓX and ΓM directions, respectively. The effective mass of the holes was estimated to be ∼0.59m0. The quality of the surface was verified using atomic force microscopy (AFM) and scanning electron microscopy (SEM). The elemental composition was investigated using high resolution X-ray photoelectron spectroscopy (XPS). The experimental electronic structure shows a good agreement with the theoretical calculation.

  6. Monte Carlo simulations of electron photoemission from cesium antimonide

    NASA Astrophysics Data System (ADS)

    Gupta, Pranav; Cultrera, Luca; Bazarov, Ivan

    2017-06-01

    We report on the results from semi-classical Monte Carlo simulations of electron photoemission (photoelectric emission) from cesium antimonide (Cs3Sb) and compare them with experimental results at 90 K and room temperature, with an emphasis on near-threshold photoemission properties. Interfacial effects, impurities, and electron-phonon coupling are central features of our Monte Carlo model. We use these simulations to predict photoemission properties at the ultracold cryogenic temperature of 20 K and to identify critical material parameters that need to be properly measured experimentally for reproducing the electron photoemission properties of Cs3Sb and other materials more accurately.

  7. Two-Photon Photoemission Study of the Coverage-Dependent Electronic Structure of Chemisorbed Alkali Atoms on a Ag(111) Surface

    SciTech Connect

    Wang, Lei-Ming; Sametoglu, Vahit; Winkelmann, Aimo; Zhao, Jin; Petek, Hrvoje

    2011-09-01

    We report a systematic investigation of the electronic structure of chemisorbed alkali atoms (Li-Cs) on a Ag(111) surface by two-photon photoemission spectroscopy. Angle-resolved two-photon photoemission spectra are obtained for 0-0.1 monolayer coverage of alkali atoms. The interfacial electronic structure as a function of periodic properties and the coverage of alkali atoms is observed and interpreted assuming ionic adsorbate/substrate interaction. The energy of the alkali atom σ-resonance at the limit of zero coverage is primarily determined by the image charge interaction, whereas at finite alkali atom coverages, it follows the formation of a dipolar surface field. The coverage- and angle-dependent two-photon photoemission spectra provide information on the photoinduced charge-transfer excitation of adsorbates on metal surfaces. This work complements the previous work on alkali/ Cu(111) chemisorption

  8. Near-field focused photoemission from polystyrene microspheres studied with photoemission electron microscopy

    SciTech Connect

    Peppernick, Samuel J.; Joly, Alan G.; Beck, Kenneth M.; Hess, Wayne P.

    2012-07-07

    We use photoemission electron microscopy(PEEM) to image 3 μm diameter polystyrene spheres supported on a metalthin film illuminated by 400 nm (~3.1 eV) and 800 nm (~1.5 eV) femtosecond (fs) laser pulses. Intense photoemission is generated by microspheres even though polystyrene is an insulator and its ionization threshold is well above the photon energies employed. We observe intense photoemission from the far side (the side opposite the incident light) of the illuminated microsphere that is attributed to light focusing within the microsphere. For the case of p-polarized, 800 nm fs laser pulses, we observe photoemission exclusively from the far side of the microsphere and additionally resolve sub-50 nm hot spots in the supporting Pt/Pd thin film that are located only within the focal region of the microsphere. We compare the PEEM images with finite difference time domain(FDTD) electrodynamic simulations to model our experimental results. Finally, the FDTD simulations predict light focusing in the microsphere and subsequent interaction with the supporting metal surface that is consistent with the experimental observations.

  9. Use of XPS to Quantify Thickness of Coatings on Nanoparticles

    SciTech Connect

    Baer, Donald R.; Wang, Yung-Cheng; Castner, David G.

    2016-03-01

    XPS and other surface sensitive methods are being increasingly used to extract quantitative information about organic and inorganic coatings and contamination on nanoparticles. The extraction of coating thickness information requires combining known information about particle diameter from other measurements, such as electron microscopy, combined with a model that includes the physical processes associated with XPS, including electron path lengths, and particle geometry. Advantages of using XPS include the sensitivity to very thin coatings (or surface contamination) and the abillity to extract important information about organic layers. Single particle information from electron microsocpy combined XPS sensitivity to determine an average coating structure and composition make a powerful combination for nanoparticle anlaysis.

  10. XPS study on silica bismuthate glasses and glass ceramics

    NASA Astrophysics Data System (ADS)

    Simon, V.; Todea, M.; Takács, A. F.; Neumann, M.; Simon, S.

    2007-01-01

    X-ray photoelectron spectroscopy (XPS) was used to evidence the effect of the Bi 2O 3 to SiO 2 ratio and of partial crystallisation on the electronic charge density around the atoms entering silica-bismuthate glasses of nominal composition 0.01Fe 2O 3ṡ0.99[ xSiO 2ṡ(100- x)Bi 2O 3] with 10≤x≤60 mol%. The core level spectra show significant composition dependent changes in binding energy, and the full width at half maximum of photoelectron peaks both of cations and of oxygen atoms. The analysis reveals changes in electron density correlated with the ionic and covalent character of the samples. The shift in binding energy suggests charge transfer from silicon and oxygen atoms to bismuth atoms. Contrary to the expected behaviour in conventional silicate oxide systems, the results indicate an increase of ionicity for silicon and of covalency for bismuth atoms. The same evolution of ionicity/covalency is observed after partial crystallisation.

  11. Resonant Photoemission in f Electron Systems: Pu& Gd

    SciTech Connect

    Tobin, J G; Chung, B W; Schulze, R K; Terry, J; Farr, J D; Shuh, D K; Heinzelman, K; Rotenberg, E; Waddill, G D; van der Laan, G

    2003-03-07

    Resonant photoemission in the Pu5f and Pu6p states is compared to that in the Gd4f and Gd5p states. Spectral simulations, based upon and atomic model with angular momentum coupling, are compared to the Gd and Pu results. Additional spectroscopic measurements of Pu, including core level photoemission and x-ray absorption are also presented.

  12. Resonant photoemission in f electron systems: Pu and Gd

    SciTech Connect

    Tobin, J.G.; Chung, B.W.; Waddill, G.D.; Schulze, R.K.; Terry,J.; Farr, J.D.; Zocco, T.; Shuh, D.K.; Heinzelman, K.; Rotenberg, E.; Vander Laan, G.

    2003-10-14

    Resonant photoemission in the Pu 5f and Pu 6p states is compared to that in the Gd 4f and Gd 5p states. Spectral simulations, based upon an atomic model with angular momentum coupling, are compared to the Gd and Pu results. Additional spectroscopic measurements of Pu, including core level photoemission and x-ray absorption, are also presented.

  13. Resonant photoemission in f-electron systems: Pu and Gd

    NASA Astrophysics Data System (ADS)

    Tobin, J. G.; Chung, B. W.; Schulze, R. K.; Terry, J.; Farr, J. D.; Shuh, D. K.; Heinzelman, K.; Rotenberg, E.; Waddill, G. D.; van der Laan, G.

    2003-10-01

    Resonant photoemission in the Pu 5f and Pu 6p states is compared to that in the Gd 4f and Gd 5p states. Spectral simulations, based upon an atomic model with angular momentum coupling, are compared to the Gd and Pu results. Additional spectroscopic measurements of Pu, including core level photoemission and x-ray absorption, are also presented.

  14. 1-Phenyl-1-propyne on Cu(111): TOFMS TPD, XPS, UPS, and 2PPE Studies.

    PubMed

    Sohn, Youngku; Wei, Wei; White, John M

    2007-11-20

    The bonding properties of 1-phenyl-1-propyne (PP, C6H5CCCH3) on Cu(111) at 100 K have been studied using temperature-programmed desorption (TPD), and X-ray, ultraviolet, and two-photon photoemission spectroscopies (XPS, UPS, and 2PPE). In TPD, there is no evidence for dissociation. Multilayer desorption occurs at 187 K, and monolayer desorption occurs at 320 (83.5 kJ/mol) and 390 K (102.4 kJ/mol), with the latter dominating. Based on the calibrated C(1s) XPS, the saturation monolayer coverage is one PP per four surface Cu atoms. The broad and asymmetric C(1s) intensity profile of the monolayer can be resolved into three symmetric components, with peaks at 283.6, 284.5, and 285.2 eV and intensities of 2:6:1, respectively. These are attributed, respectively, to acetylenic carbons bound to Cu, phenyl, and methyl carbons. The monolayer valence band ultraviolet photoemission spectrum profile contains four resonances attributable to PP perturbed by interactions with the Cu(111) substrate. With the exception of the highest occupied molecular orbital (HOMO) that is shifted by 0.4 eV, these are uniformly shifted by 1 eV further from the Fermi level for the multilayer. Calculated electron density plots of the occupied orbitals coupled with UPS profiles suggest a spectator role for the phenyl group and bonding to Cu via the acetylenic carbons. The adsorption of 1.0 monolayer (ML) of PP on Cu(111) lowers the work function by 0.85 eV. Using 2PPE, two unoccupied orbitals were identified at 1.0 (U1*-LUMO) and 0.6 eV (U2*-image state) below the vacuum level. A chemisorption model consistent with these spectroscopic results and the major chemisorption peak in TPD involve di-sigma-bonding of the acetylenic carbons to a pair of second-nearest neighbor surface Cu atoms (cross-bridge).

  15. In Situ SR-XPS Observation of Ni-Assisted Low-Temperature Formation of Epitaxial Graphene on 3C-SiC/Si

    NASA Astrophysics Data System (ADS)

    Hasegawa, Mika; Sugawara, Kenta; Suto, Ryota; Sambonsuge, Shota; Teraoka, Yuden; Yoshigoe, Akitaka; Filimonov, Sergey; Fukidome, Hirokazu; Suemitsu, Maki

    2015-10-01

    Low-temperature (~1073 K) formation of graphene was performed on Si substrates by using an ultrathin (2 nm) Ni layer deposited on a 3C-SiC thin film heteroepitaxially grown on a Si substrate. Angle-resolved, synchrotron-radiation X-ray photoemission spectroscopy (SR-XPS) results show that the stacking order is, from the surface to the bulk, Ni carbides(Ni3C/NiCx)/graphene/Ni/Ni silicides (Ni2Si/NiSi)/3C-SiC/Si. In situ SR-XPS during the graphitization annealing clarified that graphene is formed during the cooling stage. We conclude that Ni silicide and Ni carbide formation play an essential role in the formation of graphene.

  16. XPS and STEM Study of the Interface Formation between Ultra-Thin Ru and Ir OER Catalyst Layers and Perylene Red Support Whiskers

    SciTech Connect

    Atanasoska, Liliana; Cullen, David A; Hester, Amy E; Atanasoski, Radoslav

    2013-01-01

    The interface formation between perylene red (PR) and ruthenium or iridium OER catalysts has been studied systematically by XPS and STEM. The OER catalyst over-layers with thicknesses ranging from ~0.1 to ~50 nm were vapor deposited onto PR ex-situ. As seen by STEM, Ru and Ir form into nanoparticles, which agglomerate with increased loading. XPS data show a strong interaction between Ru and PR. Ir also interacts with PR although not to the extent seen for Ru. At low coverages, the entire Ru deposit is in the reacted state while a small portion of the deposited Ir remains metallic. Ru and Ir bonding occur at the PR carbonyl sites as evidenced by the attenuation of carbonyl photoemission and the emergence of new peak assigned to C-O single bond. The curve fitting analysis and the derived stoichiometry indicates the formation of metallo-organic bonds. The co-existence of oxide bonds is also apparent.

  17. Advanced Photoemission Spectroscopy Investigations Correlated with DFT Calculations on the Self-Assembly of 2D Metal Organic Frameworks Nano Thin Films.

    PubMed

    Elzein, Radwan; Chang, Chun-Min; Ponomareva, Inna; Gao, Wen-Yang; Ma, Shengqian; Schlaf, Rudy

    2016-11-16

    Metal-organic frameworks (MOFs) deposited from solution have the potential to form 2-dimensional supramolecular thin films suitable for molecular electronic applications. However, the main challenges lie in achieving selective attachment to the substrate surface, and the integration of organic conductive ligands into the MOF structure to achieve conductivity. The presented results demonstrate that photoemission spectroscopy combined with preparation in a system-attached glovebox can be used to characterize the electronic structure of such systems. The presented results demonstrate that porphyrin-based 2D MOF structures can be produced and that they exhibit similar electronic structure to that of corresponding conventional porphyrin thin films. Porphyrin MOF multilayer thin films were grown on Au substrates prefunctionalized with 4-mercaptopyridine (MP) via incubation in a glovebox, which was connected to an ultrahigh vacuum system outfitted with photoelectron spectroscopy. The thin film growth process was carried out in several sequential steps. In between individual steps the surface was characterized by photoemission spectroscopy to determine the valence bands and evaluate the growth mode of the film. A comprehensive evaluation of X-ray photoemission spectroscopy (XPS), ultraviolet photoelectron spectroscopy (UPS), and inverse photoemission spectroscopy (IPES) data was performed and correlated with density functional theory (DFT) calculations of the density of states (DOS) of the films involved to yield the molecular-level insights into the growth and the electronic properties of MOF-based 2D thin films.

  18. Ambient pressure photoemission spectroscopy of metal surfaces

    NASA Astrophysics Data System (ADS)

    Baikie, Iain D.; Grain, Angela C.; Sutherland, James; Law, Jamie

    2014-12-01

    We describe a novel photoemission technique utilizing a traditional Kelvin probe as a detector of electrons/atmospheric ions ejected from metallic surfaces (Au, Ag, Cu, Fe, Ni, Ti, Zn, Al) illuminated by a deep ultra-violet (DUV) source under ambient pressure. To surmount the limitation of electron scattering in air the incident photon energy is rastered rather than applying a variable retarding electric field as is used with UPS. This arrangement can be applied in several operational modes: using the DUV source to determine the photoemission threshold (Φ) with 30-50 meV resolution and also the Kelvin probe, under dark conditions, to measure contact potential difference (CPD) between the Kelvin probe tip and the metallic sample with an accuracy of 1-3 meV. We have studied the relationship between the photoelectric threshold and CPD of metal surfaces cleaned in ambient conditions. Inclusion of a second spectroscopic visible source was used to confirm a semiconducting oxide, possibly Cu2O, via surface photovoltage measurements with the KP. This dual detection system can be easily extended to controlled gas conditions, relative humidity control and sample heating/cooling.

  19. Combined DFT and XPS investigation of iodine anions adsorption on the sulfur terminated (001) chalcopyrite surface

    NASA Astrophysics Data System (ADS)

    Li, Kui; Zhao, Yaolin; Zhang, Peng; He, Chaohui; Deng, Jia; Ding, Shujiang; Shi, Weiqun

    2016-12-01

    The adsorption of iodine anions (iodide and iodate) on the sulfur terminated (001) chalcopyrite surface has been systematically investigated combining first-principles calculations based on density functional theory (DFT) with X-ray photoelectron spectroscopy (XPS) measurements. Based on the total energy calculations and geometric optimization, the thermodynamically preferred site was copper atom for iodide adsorption and iron atom for iodate adsorption, respectively. In the case of Cu site mode, the iodate underwent a dissociative adsorption, where one Isbnd O bond of iodate ion was broken and the dissociative oxygen atom adsorbed on the adjacent sulphur site. Projected density of states (PDOS) analysis further clarified the interaction mechanism between active sites of chalcopyrite surface and adsorbates. In addition, full-range XPS spectra qualitatively revealed the presence of iodine on chalcopyrite surface. High resolution XPS spectra of the I 3d peaks after adsorption verified the chemical environment of iodine. The binding energies of 618.8 eV and 623.5 eV for I 3d5/2 peaks unveiled that the adsorption of iodide and iodate ions on copper-iron sulfide minerals was the result of formation of low solubility metal iodides precipitate. Also two I 3d peaks with low intensity around 618 eV and 630 eV might be related to the inorganic reduction of iodate to iodide by reducing S2- ion of chalcopyrite.

  20. Gold/silver core-shell 20 nm nanoparticles extracted from citrate solution examined by XPS

    SciTech Connect

    Engelhard, Mark H.; Smith, Jordan N.; Baer, Donald R.

    2016-06-01

    Silver nanoparticles of many types are widely used in consumer and medical products. The surface chemistry of particles and the coatings that form during synthesis or use in many types of media can significantly impact the behaviors of particles including dissolution, transformation and biological or environmental impact. Consequently it is useful to be able to extract information about the thickness of surface coatings and other attributes of nanoparticles produced in a variety of ways. It has been demonstrated that X-ray Photoelectron Spectroscopy (XPS) can be reliably used to determine the thickness of organic and other nanoparticles coatings and shells. However, care is required to produce reliable and consistent information. Here we report the XPS spectra from gold/silver core-shell nanoparticles of nominal size 20 nm removed from a citrate saturated solution after one and two washing cycles. The Simulation of Electron Spectra for Surface Analysis (SESSA) program had been used to model peak amplitudes to obtain information on citrate coatings that remain after washing and demonstrate the presence of the gold core. This data is provided so that others can compare use of SESSA or other modeling approaches to quantify the nature of coatings to those already published and to explore the impacts particle non-uniformities on XPS signals from core-shell nanoparticles.

  1. Photoemission study of the Cs$z.urule;GaP(110) interface at low temperatures

    NASA Astrophysics Data System (ADS)

    Chassé, Th.; Paggel, J.; Neuhold, G.; Theis, W.; Horn, K.

    1994-04-01

    The formation of the Cs⧸GaP(110) interface at low temperature has been studied using core and valence level photoemission. It is found that a nonmetallic first adsorption layer is followed by a transition to a metallic film. Valence level spectra show that Cs induces a new peak above the valence band maximum, which from the appearance of the core level spectra is assigned to adsorbate-substrate charge transfer. At higher coverages an intermediate species is identified on the basis of Cs 5p core level spectra. The metallic layer of Cs is characterised by metallic surface and bulk core level emission, the occurrence of plasmon satellites, and the emergence of a metallic Fermi edge. The relative separation of the different Cs core level line contributions are analysed through a Born-Haber cycle and qualitative arguments based on final state screening.

  2. Inner-shell photoemission from atoms and molecules using synchrotron radiation

    SciTech Connect

    Lindle, D.W.

    1983-12-01

    Photoelectron spectroscopy, in conjunction with synchrotron radiation, has been used to study inner-shell photoemission from atoms and molecules. The time structure of the synchrotron radiation permits the measurements of time-of-flight (TOF) spectra of Auger and photoelectrons, thereby increasing the electron collection efficiency. The double-angle TOF method yielded angle-resolved photoelectron intensities, which were used to determine photoionization cross sections and photoelectron angular distributions in several cases. Comparison to theoretical calculations has been made where possible to help explain observed phenomena in terms of the electronic structure and photoionization dynamics of the systems studied. 154 references, 23 figures, 7 tables.

  3. Probing quasiparticle states in strongly interacting atomic gases by momentum-resolved Raman photoemission spectroscopy

    NASA Astrophysics Data System (ADS)

    Dao, Tung-Lam; Carusotto, Iacopo; Georges, Antoine

    2009-08-01

    We investigate a momentum-resolved Raman spectroscopy technique which is able to probe the one-body spectral function and the quasiparticle states of a gas of strongly interacting ultracold atoms. This technique is inspired by angle-resolved photoemission spectroscopy, a powerful experimental probe of electronic states in solid-state systems. Quantitative examples of experimentally accessible spectra are given for the most significant regimes along the BEC-BCS crossover. When the theory is specialized to rf spectroscopy, agreement is found with recent experimental data. The main advantages of this Raman spectroscopy over existing techniques are pointed out.

  4. Photoemission study of Au on a-Si:H

    NASA Astrophysics Data System (ADS)

    Pi, Tun-Wen; Yang, A.-B.; Olson, C. G.; Lynch, D. W.

    1990-11-01

    We report a high-resolution photoemission study of Au evaporated on rf-sputtered a-Si:H at room temperature. Three regions of coverage can be classified according to the behavior of the valence-band and core-level spectra: an unreacted region with an equivalent thickness of 2 Å, followed by an intermixed Au/a-Si overlayer (~9 Å), and a dual-phase region at higher coverage. Au adatoms are dispersed in the unreacted region. They subsequently cluster in the intermixed region, where they attach to Si atoms that are not hydrogen bonded, suggesting that the intermixed Si is mainly from those that have dangling bonds. In the dual-phase region, two sets of Au 4f core levels evolve with higher binding energy, one from Au intermixed with Si, and the lower one exhibiting pure gold character. The interface eventually ends up with the sequence: a-Si:H(sub.)+(pure Au mixed with intermixed Au/Si)+(vac). This is unlike the case of Au on c-Si, which has a pure gold layer sandwiched by intermixed Au/Si complexes along the surface normal. Traces of silicon atoms on top of composite surfaces appear even at the highest coverage, 205 Å, of the gold deposit. The applicability of the four models previously used for the Au/c-Si interface is also briefly discussed.

  5. Internal photoemission in molecular junctions: parameters for interfacial barrier determinations.

    PubMed

    Fereiro, Jerry A; Kondratenko, Mykola; Bergren, Adam Johan; McCreery, Richard L

    2015-01-28

    The photocurrent spectra for large-area molecular junctions are reported, where partially transparent copper top contacts permit illumination by UV-vis light. The effect of variation of the molecular structure and thickness are discussed. Internal photoemission (IPE), a process involving optical excitation of hot carriers in the contacts followed by transport across internal system barriers, is dominant when the molecular component does not absorb light. The IPE spectrum contains information regarding energy level alignment within a complete, working molecular junction, with the photocurrent sign indicating transport through either the occupied or unoccupied molecular orbitals. At photon energies where the molecular layer absorbs, a secondary phenomenon is operative in addition to IPE. In order to distinguish IPE from this secondary mechanism, we show the effect of the source intensity as well as the thickness of the molecular layer on the observed photocurrent. Our results clearly show that the IPE mechanism can be differentiated from the secondary mechanism by the effects of variation of experimental parameters. We conclude that IPE can provide valuable information regarding interfacial energetics in intact, working molecular junctions, including clear discrimination of charge transport mediated by electrons through unoccupied system orbitals from that mediated by hole transport through occupied system orbitals.

  6. RECENT XPS STUDIES OF THE EFFECT OF PROCESSING ON NB SRF SURFACES

    SciTech Connect

    Hui Tian; Binping Xiao; Michael Kelley; Charles Reece; A. Demasi; L. Pipe; Kevin Smith

    2008-02-12

    XPS studies have consistently shown that Nb surfaces for SRF chiefly comprise of a few nm of Nb2O5 on top of Nb metal, with minor amounts of Nb sub-oxides. Nb samples after BCP/EP treatment with post-baking at the various conditions have been examined by using synchrotron based XPS. Despite the confounding influence of surface roughness, certain outcomes are clear. Lower-valence Nb species are always and only associated with the metal/oxide interface, but evidence for an explicit layer structure or discrete phases is lacking. Post-baking without air exposure shows decreased oxide layer thickness and increased contribution from lower valence species, but spectra obtained after subsequent air exposure cannot be distinguished from those obtained prior to baking, though the SRF performance improvement remains.

  7. Electronic structure of β-RbNd(MoO4)2 by XPS and XES

    NASA Astrophysics Data System (ADS)

    Atuchin, V. V.; Khyzhun, O. Y.; Chimitova, O. D.; Molokeev, M. S.; Gavrilova, T. A.; Bazarov, B. G.; Bazarova, J. G.

    2015-02-01

    β-RbNd(MoO4)2 microplates have been prepared by the multistage solid state synthesis method. The phase composition and micromorphology of the final product have been evaluated by XRD and SEM methods. The electronic structure of β-RbNd(MoO4)2 molybdate has been studied employing the X-ray photoelectron spectroscopy (XPS) and X-ray emission spectroscopy (XES). For the molybdate, the XPS core-level and valence-band spectra, as well as XES bands representing energy distribution of the Mo 4d- and O 2p-like states, have been measured. It has been established that the O 2p-like states contribute mainly to the upper portion of the valence band with also significant contributions throughout the whole valence-band region. The Mo 4D-like states contribute mainly to a lower valence band portion.

  8. Implementation and Optimization of an Inverse Photoemission Spectroscopy Setup

    NASA Astrophysics Data System (ADS)

    Gina, Ervin

    Inverse photoemission spectroscopy (IPES) is utilized for determining the unoccupied electron states of materials. It is a complementary technique to the widely used photoemission spectroscopy (PES) as it analyzes what PES cannot, the states above the Fermi energy. This method is essential to investigating the structure of a solid and its states. IPES has a broad range of uses and is only recently being utilized. This thesis describes the setup, calibration and operation of an IPES experiment. The IPES setup consists of an electron gun which emits electrons towards a sample, where photons are released, which are measured in isochromat mode via a photon detector of a set energy bandwidth. By varying the electron energy at the source, a spectrum of the unoccupied density of states can be obtained. Since IPES is not commonly commercially available the design consists of many custom made components. The photon detector operates as a bandpass filter with a mixture of acetone/argon and a CaF2 window setting the cutoff energies. The counter electronics consist of a pre-amplifier, amplifier and analyzer to detect the count rate at each energy level above the Fermi energy. Along with designing the hardware components, a Labview program was written to capture and log the data for further analysis. The software features several operating modes including automated scanning which allows the user to enter the desired scan parameters and the program will scan the sample accordingly. Also implemented in the program is the control of various external components such as the electron gun and high voltage power supply. The new setup was tested for different gas mixtures and an optimum ratio was determined. Subsequently, IPES scans of several sample materials were performed for testing and optimization. A scan of Au was utilized for the determination of the Fermi edge energy and for comparison to literature spectra. The Fermi edge energy was then used in a measurement of indium tin

  9. Tetragonal and collapsed-tetragonal phases of CaFe2As2 : A view from angle-resolved photoemission and dynamical mean-field theory

    NASA Astrophysics Data System (ADS)

    van Roekeghem, Ambroise; Richard, Pierre; Shi, Xun; Wu, Shangfei; Zeng, Lingkun; Saparov, Bayrammurad; Ohtsubo, Yoshiyuki; Qian, Tian; Sefat, Athena S.; Biermann, Silke; Ding, Hong

    2016-06-01

    We present a study of the tetragonal to collapsed-tetragonal transition of CaFe2As2 using angle-resolved photoemission spectroscopy and dynamical mean field theory-based electronic structure calculations. We observe that the collapsed-tetragonal phase exhibits reduced correlations and a higher coherence temperature due to the stronger Fe-As hybridization. Furthermore, a comparison of measured photoemission spectra and theoretical spectral functions shows that momentum-dependent corrections to the density functional band structure are essential for the description of low-energy quasiparticle dispersions. We introduce those using the recently proposed combined "screened exchange + dynamical mean field theory" scheme.

  10. Determination of the first satellite valley energy in the conduction band of wurtzite GaN by near-band-gap photoemission spectroscopy

    NASA Astrophysics Data System (ADS)

    Piccardo, Marco; Martinelli, Lucio; Iveland, Justin; Young, Nathan; DenBaars, Steven P.; Nakamura, Shuji; Speck, James S.; Weisbuch, Claude; Peretti, Jacques

    2014-06-01

    The position of the first satellite valley in wurtzite GaN is directly determined by near-band-gap photoemission spectroscopy of p-doped GaN activated to negative electron affinity. The photoemission spectra exhibit two structures, with fixed energy position, which originate from electrons accumulated in the conduction band valleys of the bulk material. We assigned the two observed features respectively to Γ and L valleys and obtain an intervalley energy separation of 0.90±0.08 eV, well below the theoretical values of the lowest subsidiary valley energy provided by ab initio calculations.

  11. Time-resolved photoemission using attosecond streaking

    NASA Astrophysics Data System (ADS)

    Nagele, S.; Pazourek, R.; Wais, M.; Wachter, G.; Burgdörfer, J.

    2014-04-01

    We theoretically study time-resolved photoemission in atoms as probed by attosecond streaking. We review recent advances in the study of the photoelectric efect in the time domain and show that the experimentally accessible time shifts can be decomposed into distinct contributions that stem from the feld-free photoionization process itself and from probe-field induced corrections. We perform accurate quantum-mechanical as well as classical simulations of attosecond streaking for efective one-electron systems and determine all relevant contributions to the time delay with attosecond precision. In particular, we investigate the properties and limitations of attosecond streaking for the transition from short-ranged potentials (photodetachment) to long-ranged Coulomb potentials (photoionization). As an example for a more complex system, we study time-resolved photoionization for endohedral fullerenes A@C60 and discuss how streaking time shifts are modifed due to the interaction of the C60 cage with the probing infrared streaking field.

  12. Timing analysis of two-electron photoemission

    NASA Astrophysics Data System (ADS)

    Kheifets, A. S.; Ivanov, I. A.; Bray, Igor

    2011-05-01

    We predict a significant delay of two-electron photoemission from the helium atom after absorption of an attosecond XUV pulse. We establish this delay by solving the time-dependent Schrödinger equation and by subsequently tracing the field-free evolution of the two-electron wave packet. This delay can also be related to the energy derivative of the phase of the complex double-photoionization (DPI) amplitude which we evaluate by using the convergent close-coupling method. Our observations indicate that future attosecond time delay measurements on DPI of He can provide information on the absolute quantum phase and elucidate various mechanisms of this strongly correlated ionization process.

  13. Multiatom Resonant Photoemission: Theory and Systematics

    SciTech Connect

    Garcia de Abajo, F.J.; Fadley, C.S.; Van Hove, M.A.; Garcia de Abajo, F.J.

    1999-05-01

    A first-principles calculation of the recently discovered interatomic multiatom resonant photoemission (MARPE) effect is presented. In this phenomenon, core photoelectron intensities are enhanced when the photon energy is tuned to a core-level absorption edge of nonidentical neighboring atoms, thus enabling direct determination of near-neighbor atomic identities. Both the multiatom character of MARPE and retardation effects in the photon and electron interactions in the resonant channel are shown to be crucial. Measured peak-intensity enhancements of 40{percent} in MnO and spectral shapes similar to the corresponding x-ray absorption profiles are well reproduced by this theory. {copyright} {ital 1999} {ital The American Physical Society}

  14. Antiferromagnetically Induced Photoemission Band in the Cuprates

    NASA Astrophysics Data System (ADS)

    Haas, Stephan; Moreo, Adriana; Dagotto, Elbio

    1995-05-01

    Strong antiferromagnetic correlations in models of high critical temperature (high- Tc) cuprates produce quasiparticlelike features in photoemission (PES) calculations above the Fermi momentum pF corresponding to weakly interacting electrons. This effect, discussed before by Kampf and Schrieffer [Phys. Rev. B 41, 6399 (1990)], is analyzed here using computational techniques in strong coupling. It is concluded that weight above pF should be observable in PES data for underdoped compounds, while in the overdoped regime it will be hidden in the experimental background. At optimal doping the signal is weak. The order of magnitude of our results is compatible with experimental data by Aebi et al. [Phys. Rev. Lett. 72, 2757 (1994)] for Bi2Sr2CaCu2O8.

  15. UV inverse photoemission from cerium and its hydrides

    NASA Astrophysics Data System (ADS)

    Osterwalder, J.; Schlapbach, L.

    1984-11-01

    Isochromate spectra of polycrystalline Ce, CeH 2.1 and CeH 2.9 were measured at a photon energy of 9.7 eV. The intensity at E F is 4 to 5 times lower on CeH 2.1 than it is on the metal, and it vanishes on CeH 2.9. This is in accordance with XPS, UPS and conductivity data. In both hydrides broad features ( ˜2 eV FWHM) appear, centered between 4 and 5 eV. From cross section arguments and from comparison with a CeRu 2 spectrum taken at the same photon energy, we conclude that we do not see any 4f contribution in our spectra. A signal at 7 eV on the CeH 2.9 spectrum is assigned to the 2Σ +u shape resonance of the H 2- ion, formed by desorbed H 2 molecules.

  16. ELS and XPS study of Pd/PdO methane oxidation catalysts

    NASA Astrophysics Data System (ADS)

    Hoflund, Gar B.; Hagelin, Helena A. E.; Weaver, Jason F.; Salaita, Ghaleb N.

    2003-01-01

    Electron energy loss spectra (ELS) and X-ray photoelectron spectroscopy (XPS) data obtained from palladium powder catalysts used for complete methane oxidation have been obtained in this study in order to gain information about the Pd chemical state. Metallic Pd and PdO yield significantly different ELS spectra making ELS useful for chemical-state determination. Palladium(II) oxide is readily detected by the presence of an energy loss feature at 3.7 eV. Species distribution in the direction normal to the surface can be determined using ELS by varying the primary beam energy. Both XPS and ELS data indicate that PdO forms during reaction, and the ELS data demonstrate that PdO forms as a film over the Pd metal. If any Pd metal is present in the PdO film, it is there at levels below the detection limit of ELS. These observations have important consequences with regard to the mechanism of methane oxidation over Pd-containing catalysts. Hydrous and anhydrous palladium(II) oxides have significantly different energy loss features in the low loss-energy region of the ELS spectra. ELS features attributed to water are observed at 5.5-6.5 and 8 eV for hydrous palladium(II) oxide.

  17. Theoretical modeling of the uranium 4f XPS for U(VI) and U(IV) oxides

    SciTech Connect

    Bagus, Paul S.; Nelin, Connie J.; Ilton, Eugene S.

    2013-12-28

    A rigorous study is presented of the physical processes related to X-Ray photoelectron spectroscopy, XPS, in the 4f level of U oxides, which, as well as being of physical interest in themselves, are representative of XPS in heavy metal oxides. In particular, we present compelling evidence for a new view of the screening of core-holes that extends prior understandings. Our analysis of the screening focuses on the covalent mixing of high lying U and O orbitals as opposed to the, more common, use of orbitals that are nominally pure U or pure O. It is shown that this covalent mixing is quite different for the initial and final, core-hole, configurations and that this difference is directly related to the XPS satellite intensity. Furthermore, we show that the high-lying U d orbitals as well as the U(5f) orbital may both contribute to the core-hole screening, in contrast with previous work that has only considered screening through the U(5f) shell. The role of modifying the U-O interaction by changing the U-O distance has been investigated and an unexpected correlation between U-O distance and XPS satellite intensity has been discovered. The role of flourite and octahedral crystal structures for U(IV) oxides has been examined and relationships established between XPS features and the covalent interactions in the different structures. The physical views of XPS satellites as arising from shake processes or as arising from ligand to metal charge transfers are contrasted; our analysis provides strong support that shake processes give a more fundamental physical understanding than charge transfer. Our theoretical studies are based on rigorous, strictly ab initio determinations of the electronic structure of embedded cluster models of U oxides with formal U(VI) and U(IV) oxidation states. Our results provide a foundation that makes it possible to establish quantitative relationships between features of the XPS spectra and materials properties.

  18. Theoretical modeling of the uranium 4f XPS for U(VI) and U(IV) oxides.

    PubMed

    Bagus, Paul S; Nelin, Connie J; Ilton, Eugene S

    2013-12-28

    A rigorous study is presented of the physical processes related to X-Ray photoelectron spectroscopy, XPS, in the 4f level of U oxides, which, as well as being of physical interest in themselves, are representative of XPS in heavy metal oxides. In particular, we present compelling evidence for a new view of the screening of core-holes that extends prior understandings. Our analysis of the screening focuses on the covalent mixing of high lying U and O orbitals as opposed to the, more common, use of orbitals that are nominally pure U or pure O. It is shown that this covalent mixing is quite different for the initial and final, core-hole, configurations and that this difference is directly related to the XPS satellite intensity. Furthermore, we show that the high-lying U d orbitals as well as the U(5f) orbital may both contribute to the core-hole screening, in contrast with previous work that has only considered screening through the U(5f) shell. The role of modifying the U-O interaction by changing the U-O distance has been investigated and an unexpected correlation between U-O distance and XPS satellite intensity has been discovered. The role of flourite and octahedral crystal structures for U(IV) oxides has been examined and relationships established between XPS features and the covalent interactions in the different structures. The physical views of XPS satellites as arising from shake processes or as arising from ligand to metal charge transfers are contrasted; our analysis provides strong support that shake processes give a more fundamental physical understanding than charge transfer. Our theoretical studies are based on rigorous, strictly ab initio determinations of the electronic structure of embedded cluster models of U oxides with formal U(VI) and U(IV) oxidation states. Our results provide a foundation that makes it possible to establish quantitative relationships between features of the XPS spectra and materials properties.

  19. Chemical Visualization of a GaN p-n junction by XPS

    PubMed Central

    Caliskan, Deniz; Sezen, Hikmet; Ozbay, Ekmel; Suzer, Sefik

    2015-01-01

    We report on an operando XPS investigation of a GaN diode, by recording the Ga2p3/2 peak position under both forward and reverse bias. Areal maps of the peak positions under reverse bias are completely decoupled with respect to doped regions and allow a novel chemical visualization of the p-n junction in a 2-D fashion. Other electrical properties of the device, such as leakage current, resistivity of the domains are also tapped via recording line-scan spectra. Application of a triangular voltage excitation enables probing photoresponse of the device. PMID:26359762

  20. The Organic LED Surface:. a Synchrotron Radiation Photoemission Study

    NASA Astrophysics Data System (ADS)

    Pi, Tun-Wen; Yu, T. C.

    Tris(8-hydroxyquinolato) aluminum (Alq3), a prototypical molecule for organic light-emitting devices, has been studied via synchrotron radiation photoemission to investigate (1) the surface electronic structure of the molecules at room temperature and at elevated temperatures, (2) adsorption onto the inorganic Si(001)-2×1 surface, and (3) doping with the alkaline metal Mg. For case (1), three chemical environments of carbon are resolved. Moreover, the shake-up satellite structures are detected in all the N 1s, C 1s, O 1s, and Al 2p core-level spectra, but with different magnitudes. Annealing allows for a charge redistribution within Alq3 itself. As to case (2), the organic molecules not only passivate the dangling bonds, but also rupture the dimer bonds. The wave function of the surface dangling bonds and of the pyridyl side of an 8-quinolinol ligand overlaps greatly so that charge is polarized towards, the organic adlayer. However, the polarization diminishes at greater coverage. With regard to case (3), the N 1s core-level spectra appear as an Mg-induced charge-transfer component with a binding energy lower than the original component. This new component grows gradually in intensity with increasing concentration of the dopant. Moreover, Mg also affects the O 1s core, as manifested by a component lying at a +1.09 eV higher binding energy than the original component. The Mg 2p core-level spectra, although rather broad, exhibit a shift toward a lower binding energy with increasing Mg vapor. Upon examining all these experimental results, we propose that Mg in the surface Alq3 molecules forms clusters. Each cluster attaches to a pyridyl ring, affecting not only the nitrogen atom at that ring, but also the oxygen atom in the adjacent phenoxide ring. The depleted charge in the affected oxygen then flows about its adherent ligand and resides on the pyridyl ring at that ligand, resulting in a high Alq3 anion state.

  1. The Effect of Thermal and Mechanical Treatments on Kaolinite: Characterization by XPS and IEP Measurements.

    PubMed

    Torres Sánchez RM; Basaldella; Marco

    1999-07-15

    The surface transformations induced on kaolinite by different thermal and mechanical treatments have been investigated by means of X-ray photoelectron spectroscopy (XPS), Bremsstrahlung induced Auger spectroscopy, and isoelectric point (IEP) measurements. Heating the kaolinite at temperatures between 500 and 750 degrees C results in the change of a substantial fraction of surface Al from octahedral to tetrahedral coordination, which we associate with the dehydroxylation of kaolinite. Heating at 900 and 980 degrees C brings about the development of an octahedral Al fraction which is associated with the formation of gamma-Al(2)O(3). The development of an Al tetrahedral component in the Al KLL spectra of the mechanically treated (ground) samples has been also observed. The Si/Al atomic ratio obtained by XPS in the thermally treated samples is the same as that shown by the original kaolinite. However, the XPS data show a clear reduction of the Si/Al atomic ratio in the mechanically treated samples, which suggests that the mechanical treatment has induced an Al enrichment of the kaolinite surface. The IEP values indicated a thermal transformation to metakaolinite and mullite with the increase of temperature (750 to 980 degrees C). The IEP change for the milled samples can be only explained by assuming a 30% kaolinite coating by the Al oxide neoformed by grinding. Copyright 1999 Academic Press.

  2. XPS and optical studies of Xe +-implanted and annealed YSZ single crystals

    NASA Astrophysics Data System (ADS)

    Xiang, X.; Zu, X. T.; Zhu, S.; Zhang, C. F.; Wang, Z. G.; Wang, L. M.; Ewing, R. C.

    2006-09-01

    Xe + ion implantation with 200 keV was completed at room temperature up to a fluence of 1 × 10 17 ion/cm 2 in yttria-stabilized zirconia (YSZ) single crystals. Optical absorption and X-ray photoelectron spectroscopy (XPS) were used to characterize the changes of optical properties and charge state in the as-implanted and annealed crystals. A broad absorption band centered at 522 or 497 nm was observed in the optical absorption spectra of samples implanted with fluences of 1 × 10 16 ion/cm 2 and 1 × 10 17 ion/cm 2, respectively. These two absorption bands both disappeared due to recombination of color centers after annealing at 250 °C. XPS measurements showed two Gaussian components of O 1s spectrum assigned to and , respectively, in YSZ single crystals. After ion implantation, these two peaks merged into a single peak with the increasing etching depth. However, this single peak split into two Gaussian components again after annealing at 250 °C. The concentration of Xe decreased drastically after annealing at 900 °C. And the XPS measurement barely detected the Xe. There was no change in the photoluminescence of YSZ single crystals with a fluence of 1 × 10 17 ion/cm 2 after annealing up to 900 °C.

  3. Energy Thresholds of DNA Damage Induced by UV Radiation: An XPS Study.

    PubMed

    Gomes, P J; Ferraria, A M; Botelho do Rego, A M; Hoffmann, S V; Ribeiro, P A; Raposo, M

    2015-04-30

    This work stresses on damage at the molecular level caused by ultraviolet radiation (UV) in the range from 3.5 to 8 eV, deoxyribonucleic acid (DNA) films observed by X-ray photoelectron spectroscopy (XPS). Detailed quantitative XPS analysis, in which all the amounts are relative to sodium-assumed not to be released from the samples, of the carbon, oxygen, and particularly, nitrogen components, reveals that irradiation leads to sugar degradation with CO-based compounds release for energies above 6.9 eV and decrease of nitrogen groups which are not involved in hydrogen bonding at energies above 4.2 eV. Also the phosphate groups are seen to decrease to energies above 4.2 eV. Analysis of XPS spectra allowed to conclude that the damage on bases peripheral nitrogen atoms are following the damage on phosphates. It suggests that very low kinetic energy photoelectrons are ejected from the DNA bases, as a result of UV light induced breaking of the phosphate ester groups which forms a transient anion with resonance formation and whereby most of the nitrogen DNA peripheral groups are removed. The degree of ionization of DNA was observed to increase with radiation energy, indicating that the ionized phosphate groups are kept unchanged. This result was interpreted by the shielding of phosphate groups caused by water molecules hydration near sodium atoms.

  4. Photoemission study on electrical dipole at SiO2/Si and HfO2/SiO2 interfaces

    NASA Astrophysics Data System (ADS)

    Fujimura, Nobuyuki; Ohta, Akio; Ikeda, Mitsuhisa; Makihara, Katsunori; Miyazaki, Seiichi

    2017-04-01

    Electrical dipole at SiO2/Si and HfO2/SiO2 interfaces have been investigated by X-ray photoelectron spectroscopy (XPS) under monochromatized Al Kα radiation. From the analysis of the cut-off energy for secondary photoelectrons measured at each thinning step of a dielectric layer by wet-chemical etching, an abrupt potential change caused by electrical dipole at SiO2/Si and HfO2/SiO2 interfaces has been clearly detected. Al-gate MOS capacitors with thermally-grown SiO2 and a HfO2/SiO2 dielectric stack were fabricated to evaluate the Al work function from the flat band voltage shift of capacitance–voltage (C–V) characteristics. Comparing the results of XPS and C–V measurements, we have verified that electrical dipole formed at the interface can be directly measured by photoemission measurements.

  5. XPS characterization of polymer–monocalcium aluminate interface

    SciTech Connect

    Kalina, Lukáš Másilko, Jiří; Koplík, Jan; Šoukal, František

    2014-12-15

    The aim of this paper is the introduction of a sophisticated testing method, X-ray photoelectron spectroscopy (XPS), used to study the interface between the hydrated cement phase and polymer after mechanochemical activation, which is fundamental for the creation of macro-defect-free (MDF) composites. The XPS results clearly explain the hypothesis of a chemical reaction mechanism in the interphase regions affecting the final properties of the MDF materials.

  6. Electronic structure investigation of atomic layer deposition ruthenium(oxide) thin films using photoemission spectroscopy

    SciTech Connect

    Schaefer, Michael E-mail: schlaf@mail.usf.edu; Schlaf, Rudy E-mail: schlaf@mail.usf.edu

    2015-08-14

    Analyzing and manipulating the electronic band line-up of interfaces in novel micro- and nanoelectronic devices is important to achieve further advancement in this field. Such band alignment modifications can be achieved by introducing thin conformal interfacial dipole layers. Atomic layer deposition (ALD), enabling angstrom-precise control over thin film thickness, is an ideal technique for this challenge. Ruthenium (Ru{sup 0}) and its oxide (RuO{sub 2}) have gained interest in the past decade as interfacial dipole layers because of their favorable properties like metal-equivalent work functions, conductivity, etc. In this study, initial results of the electronic structure investigation of ALD Ru{sup 0} and RuO{sub 2} films via photoemission spectroscopy are presented. These experiments give insight into the band alignment, growth behavior, surface structure termination, and dipole formation. The experiments were performed in an integrated vacuum system attached to a home-built, stop-flow type ALD reactor without exposing the samples to the ambient in between deposition and analysis. Bis(ethylcyclopentadienyl)ruthenium(II) was used as precursor and oxygen as reactant. The analysis chamber was outfitted with X-ray photoemission spectroscopy (LIXPS, XPS). The determined growth modes are consistent with a strong growth inhibition situation with a maximum average growth rate of 0.21 Å/cycle for RuO{sub 2} and 0.04 Å/cycle for Ru.{sup 0} An interface dipole of up to −0.93 eV was observed, supporting the assumption of a strongly physisorbed interface. A separate experiment where the surface of a RuO film was sputtered suggests that the surface is terminated by an intermediate, stable, non-stoichiometric RuO{sub 2}/OH compound whose surface is saturated with hydroxyl groups.

  7. Electronic structure of Mo1-x Re x alloys studied through resonant photoemission spectroscopy

    NASA Astrophysics Data System (ADS)

    Sundar, Shyam; Banik, Soma; Sharath Chandra, L. S.; Chattopadhyay, M. K.; Ganguli, Tapas; Lodha, G. S.; Pandey, Sudhir K.; Phase, D. M.; Roy, S. B.

    2016-08-01

    We studied the electronic structure of Mo-rich Mo1-x Re x alloys (0≤slant x≤slant 0.4 ) using valence band photoemission spectroscopy in the photon energy range 23-70 eV and density of states calculations. Comparison of the photoemission spectra with the density of states calculations suggests that, with respect to the Fermi level E F, the d states lie mostly in the binding energy range 0 to  -6 eV, whereas s states lie in the binding energy range  -4 to  -10 eV. We observed two resonances in the photoemission spectra of each sample, one at about 35 eV photon energy and the other at about 45 eV photon energy. Our analysis suggests that the resonance at 35 eV photon energy is related to the Mo 4p-5s transition and the resonance at 45 eV photon energy is related to the contribution from both the Mo 4p-4d transition (threshold: 42 eV) and the Re 5p-5d transition (threshold: 46 eV). In the constant initial state plot, the resonance at 35 eV incident photon energy for binding energy features in the range E F (BE  =  0) to  -5 eV becomes progressively less prominent with increasing Re concentration x and vanishes for x  >  0.2. The difference plots obtained by subtracting the valence band photoemission spectrum of Mo from that of Mo1-x Re x alloys, measured at 47 eV photon energy, reveal that the Re d-like states appear near E F when Re is alloyed with Mo. These results indicate that interband s-d interaction, which is weak in Mo, increases with increasing x and influences the nature of the superconductivity in alloys with higher x.

  8. Core-Level Photoemission Investigations of the CADMIUM-TELLURIDE(100) and INDIUM-ANTIMONY(100) Surface and Interfacial Structures.

    NASA Astrophysics Data System (ADS)

    John, Peter James

    1988-12-01

    Photoemission techniques, utilizing a synchrotron light source, were used to analyze the clean (100) surfaces of the zinc-blende semiconductor materials CdTe and InSb. Several interfacial systems involving the surfaces of these materials were also studied, including the CdTe(100)-Ag interface, the CdTe(100)-Sb system, and the InSb(100)-Sn interface. High -energy electron diffraction was also employed to acquire information about of surface structure. A one-domain (2x1) structure was observed for the CdTe(100) surface. Analysis of photoemission spectra of the Cd 4d core level for this surface structure revealed two components resulting from Cd surface atoms. The total intensity of these components accounts for a full monolayer of Cd atoms on the surface. A structural model is discussed commensurate with these results. Photoemission spectra of the Cd and Te 4d core levels indicate that Ag or Sb deposited on the CdTe(100)-(2x1) surface at room temperature do not bound strongly to the surface Cd atoms. The room temperature growth characteristics for these two elements on the CdTe(100)-(2x1) are discussed. The growth at elevated substrate temperatures was also studied for Sb deposition. The InSb(100) surface differed from the CdTe(100) surface. Using molecular beam epitaxy, several structures could be generated for the InSb(100) surface, including a c(8x2), a c(4x4), an asymmetric (1x3), a symmetric (1x3), and a (1x1). Analysis of photoemission intensities and line shapes indicates that the c(4x4) surface is terminated with 1{3 over 4} monolayers of Sb atoms. The c(8x2) surface is found to be terminated with {3over 4} monolayer of In atoms. Structural models for both of these surfaces are proposed based upon the photoemission results and upon models of the similar GaAs(100) structures. The room temperature growth characteristics of grey Sn on the InSb(100)-c(4x4) and InSb(100)-c(8x2) surfaces were studied with photoemission. The discontinuity in the valence band maximum

  9. Xe and Ar nanobubbles in Al studied by photoemission spectroscopy

    SciTech Connect

    Dhaka, R. S.; Biswas, C.; Shukla, A. K.; Barman, S. R.; Chakrabarti, Aparna

    2008-03-01

    We have studied xenon and argon bubbles formed in the subsurface region of Al(111) by x-ray photoelectron spectroscopy. As a consequence of the nanometer size of the bubbles, the photohole formed by Xe 3d or Ar 2p photoemission is screened by the Al conduction electrons, which substantially lowers the binding energy (BE) as compared to the gas phase. As the bubble size increases, the Al conduction electron screening decreases and the BE increases. On the basis of density functional theory, we show that the change in the bubble pressure with size is not responsible for the BE shift of inner shell core levels, such as Xe 3d or Ar 2p. On the other hand, an increase in BE with bubble size for outer shell core levels, such as Ar 3p, could be due to a decrease in both pressure and Al conduction electron screening. The core level line shape also changes with bubble size. For example, the spectra are broadened due to the distribution of the bubble radius around its mean value, and an asymmetry for small bubbles is observed that decreases for larger bubbles. An annealing of Xe and Ar bubbles after an implantation up to 640 K shows that the BE increases with annealing temperature. Since it is well known that bubble size increases with annealing temperature, this further supports our contention of BE shift with bubble size. A defect induced partial disorder of the Al(111) surface by Xe and Ar bombardment is observed by low energy electron diffraction, but this does not affect the Al 2p BE and line shape.

  10. Afterpulse time spectra of high-speed photon detectors

    NASA Astrophysics Data System (ADS)

    Leskovar, B.

    1985-01-01

    Recent progress of understanding of the afterpulse time spectra of high-speed photon detectors using photoemission and secondary emission processes is reviewed and summarized. Furthermore, the afterpulse time spectra of high-gain conventionally designed and microchannel plate photon detectors was investigated. Specifically, the devices studied included RCA 8850, RCA 8854 and ITT F 4129g photomultipliers. Descriptions are given of the measuring techniques.

  11. Spin-orbit delays in photoemission

    NASA Astrophysics Data System (ADS)

    Jordan, I.; Huppert, M.; Pabst, S.; Kheifets, A. S.; Baykusheva, D.; Wörner, H. J.

    2017-01-01

    Attosecond delays between photoelectron wave packets emitted from different electronic shells are now well established. Is there any delay between electrons originating from the same electronic shell but leaving the cation in different fine-structure states? This question is relevant for all attosecond photoemission studies involving heavy elements, be it atoms, molecules or solids. We answer this fundamental question by measuring energy-dependent delays between photoelectron wave packets associated with the 3/2 2P and 1/2 2P components of the electronic ground states of Xe+ and Kr+. We observe delays reaching up to 33 ±6 as in the case of Xe. Our results are compared with two state-of-the-art theories. Whereas both theories quantitatively agree with the results obtained for Kr, neither of them fully reproduces the experimental results in Xe. Performing delay measurements very close to the ionization thresholds, we compare the agreement of several analytical formulas for the continuum-continuum delays with experimental data. Our results show an important influence of spin-orbit coupling on attosecond photoionization delays, highlight the requirement for additional theory development, and offer a precision benchmark for such work.

  12. Theory of hot electron photoemission from graphene

    NASA Astrophysics Data System (ADS)

    Ang, Lay Kee; Liang, Shijun

    Motivated by the development of Schottky-type photodetectors, some theories have been proposed to describe how the hot carriers generated by the incident photon are transported over the Schottky barrier through the internal photoelectric effect. One of them is Fowler's law proposed as early as 1931, which studied the temperature dependence of photoelectric curves of clean metals. This law is very successful in accounting for mechanism of detecting photons of energy lower than the band gap of semiconductor based on conventional metal/semiconductor Schottky diode. With the goal of achieving better performance, graphene/silicon contact-based- graphene/WSe2 heterostructure-based photodetectors have been fabricated to demonstrate superior photodetection efficiency. However, the theory of how hot electrons is photo-excited from graphene into semiconductor remains unknown. In the current work, we first examine the photoemission process from suspended graphene and it is found that traditional Einstein photoelectric effect may break down for suspended graphene due to the unique linear band structure. Furthermore, we find that the same conclusion applies for 3D graphene analog (e.g. 3D topological Dirac semi-metal). These findings are very useful to further improve the performance of graphene-based photodetector, hot-carrier solar cell and other kinds of sensor.

  13. Ultrahigh-resolution Photoemission of Correlated Systems

    NASA Astrophysics Data System (ADS)

    Grioni, Marco

    2001-03-01

    Photoelectron spectroscopy (ARPES) offers a unique k-selective view of the electronic excitations in solids. This capability can be fully exploited by a new generation of very high energy and momentum resolution experiments which directly probe the properties of the elementary quasiparticle excitations. I will discuss recent ARPES results addressing fundamental aspects of the electronic properties of strongly correlated materials. In model normal metal systems like TiTe2 ARPES can test the range of validity of standard Fermi liquid predictions. From a temperature-dependent lineshape analysis it is possible to identify and separately evaluate the strength of the various quasiparticle scattering processes. Photoemission can also clarify the mechanisms leading to electronic phase transitions, e.g. the role of the Fermi surface topology in charge-density-wave (CDW) instabilities in one- and two-dimensions. In these Peierls systems ARPES can probe the momentum and temperature dependence of the energy gap, but also the unconventional nature of the quasiparticles, and their response to the conflicting lattice and CDW periodicities [1]. [1] J. Voit, L. Perfetti, F. Zwick, H. Berger, G. Margaritondo, G. Gruner, H. Hoechst, and M. Grioni, Science 290, 501 (2000).

  14. Design of an ultrahigh vacuum transfer mechanism to interconnect an oxide molecular beam epitaxy growth chamber and an x-ray photoemission spectroscopy analysis system

    NASA Astrophysics Data System (ADS)

    Rutkowski, M. M.; McNicholas, K. M.; Zeng, Zhaoquan; Brillson, L. J.

    2013-06-01

    We designed a mechanism and the accompanying sample holders to transfer between a VEECO 930 oxide molecular beam epitaxy (MBE) and a PHI Versa Probe X-ray photoemission spectroscopy (XPS) chamber within a multiple station growth, processing, and analysis system through ultrahigh vacuum (UHV). The mechanism consists of four parts: (1) a platen compatible with the MBE growth stage, (2) a platen compatible with the XPS analysis stage, (3) a sample coupon that is transferred between the two platens, and (4) the accompanying UHV transfer line. The mechanism offers a robust design that enables transfer back and forth between the growth chamber and the analysis chamber, and yet is flexible enough to allow transfer between standard sample holders for thin film growth and masked sample holders for making electrical contacts and Schottky junctions, all without breaking vacuum. We used this mechanism to transfer a barium strontium titanate thin film into the XPS analysis chamber and performed XPS measurements before and after exposing the sample to the air. After air exposure, a thin overlayer of carbon was found to form and a significant shift (˜1 eV) in the core level binding energies was observed.

  15. Design of an ultrahigh vacuum transfer mechanism to interconnect an oxide molecular beam epitaxy growth chamber and an x-ray photoemission spectroscopy analysis system.

    PubMed

    Rutkowski, M M; McNicholas, K M; Zeng, Zhaoquan; Brillson, L J

    2013-06-01

    We designed a mechanism and the accompanying sample holders to transfer between a VEECO 930 oxide molecular beam epitaxy (MBE) and a PHI Versa Probe X-ray photoemission spectroscopy (XPS) chamber within a multiple station growth, processing, and analysis system through ultrahigh vacuum (UHV). The mechanism consists of four parts: (1) a platen compatible with the MBE growth stage, (2) a platen compatible with the XPS analysis stage, (3) a sample coupon that is transferred between the two platens, and (4) the accompanying UHV transfer line. The mechanism offers a robust design that enables transfer back and forth between the growth chamber and the analysis chamber, and yet is flexible enough to allow transfer between standard sample holders for thin film growth and masked sample holders for making electrical contacts and Schottky junctions, all without breaking vacuum. We used this mechanism to transfer a barium strontium titanate thin film into the XPS analysis chamber and performed XPS measurements before and after exposing the sample to the air. After air exposure, a thin overlayer of carbon was found to form and a significant shift (~1 eV) in the core level binding energies was observed.

  16. High resolution photoemission experiments on copper oxide superconductors

    NASA Astrophysics Data System (ADS)

    Rameau, Jonathan David

    The mechanism for achieving high transition temperatures (T c) in copper oxide superconductors and the nature of the mysterious "pseudogap" phase from which this phenomenon arises are two of the most pressing issues in solid state physics. High resolution angle resolved photoemission spectroscopy (ARPES), which can directly probe the momentum and energy dependence of the electronic structure of a crystal, is considered one of the foremost tools for unraveling these mysteries. In this thesis we present work on both the further development of the ARPES technique itself and the results of two experiments on the high temperature superconductor Bi2Sr2CaCu2O8+delta (BSCCO)---the drosophila of copper oxide superconductors---based upon these analytical and experimental advances. On the analytical side we have shown that the precision of any ARPES experiment can be radically enhanced by using the Lucy-Richardson method (LRM) of iterative deconvolution to remove the worst effects of experimental resolution broadening present in all ARPES spectra. On the experimental side we have constructed a deep ultraviolet laser system capable of increasing our data acquisition rate by more than an order of magnitude compared to what is possible using traditional synchrotron radiation sources at the same momentum and energy resolutions. Using the LRM, in conjunction with synchrotron radiation, spectroscopic evidence was found for the existence of incoherent Cooper pairs in underdoped BSCCO in the normal pseudogap state (above Tc). At the same time an asymmetry between the particle and hole states of BSCCO was found, implying that doped Mott insulators, of which BSCCO is a primordial example, are characterized by the presence of a Fermi-Luttinger surface, rather than a Fermi surface, as would be the case for a simple metal. This study provided the first spectroscopic evidence for either phenomenon. In our second experiment we were able to use the LRM on data acquired with the laser ARPES

  17. Formation of Hydroxyl and Water Layers on MgO Films Studied with Ambient Pressure XPS

    SciTech Connect

    Newberg, J.T.; Starr, D.; Yamamoto, S.; Kaya, S.; Kendelewicz, T.; Mysak, E.R.; Porsgaard, S.; Salmeron, M.B.; Brown Jr., G.E.; Nilsson, A.; Bluhm, H.

    2011-01-01

    To understand the interaction of water with MgO(100), a detailed quantitative assessment of the interfacial chemistry is necessary. We have used ambient pressure X-ray photoelectron spectroscopy (XPS) to measure molecular (H{sub 2}O) and dissociative (OH) water adsorption on a 4 monolayer (ML) thick MgO(100)/Ag(100) film under ambient conditions. Since the entire 4 ML metal oxide (Ox) film is probed by XPS, the reaction of the MgO film with water can be quantitatively studied. Using a multilayer model (Model 1) that measures changes in Ox thickness from O 1s (film) and Ag 3d (substrate) spectra, it is shown that the oxide portion of the MgO film becomes thinner upon hydroxylation. A reaction mechanism is postulated in which the top-most layer of MgO converts to Mg(OH)2 upon dissociation of water. Based on this mechanism a second model (Model 2) is developed to calculate Ox and OH thickness changes based on OH/Ox intensity ratios from O 1s spectra measured in situ, with the known initial Ox thickness prior to hydroxylation. Models 1 and 2 are applied to a 0.15 Torr isobar experiment, yielding similar results for H{sub 2}O, OH and Ox thickness changes as a function of relative humidity.

  18. In-situ NAP XPS studies of dissociative water adsorption on GaAs(100) surfaces

    NASA Astrophysics Data System (ADS)

    Ptasinska, Sylwia; Zhang, Xueqiang

    2014-03-01

    In current semiconductor-based technology it is important to design and fabricate new materials in order to achieve specific well-defined properties and functionalities. Before such systems can be applied they first need to be understood, refined and controlled. Therefore, a basic knowledge about molecule/semiconductor surface interfaces is essential. In the present work dissociative water adsorption on the GaAs(100) surface is monitored using X-ray Photoelectron Spectroscopy (XPS) performed in situ under near ambient conditions. Firstly, the crystal surface is exposed to water vapor pressures ranging from UHV to 0.5 kPa. At elevated pressures an increase of oxygenation and hydroxylation of Ga surface atoms has been observed in the Ga2p XPS spectra. Moreover, intense signals obtained from molecularly adsorbed water molecules or water molecules adsorbed via hydrogen bond to surface OH groups have been also observed in the O1s spectra. Finally, the crystal surface is annealed up to 700 K at water vapor pressure of 0.01 kPa, which leads to desorption of physisorbed water molecules and further increase of surface oxidation. The research described herein was supported by the Division of Chemical Sciences, Geosciences and Biosciences, Basic Energy Sciences, Office of Science, United States Department of Energy through grant number DE-FC02-04ER15533.

  19. XPS and XRD studies of samples from the natural fission reactors in the Oklo uranium deposits

    SciTech Connect

    Sunder, S.; Miller, N.H.; Duclos, A.M.

    1994-12-31

    Mineral samples from the natural fission reactors 10 and 13 in the Oklo uranium deposits were studied using X-ray photoelectron spectroscopy (XPS) and X-ray diffraction (XRD) to gain information about the long-term behaviour of UO{sub 2} fuel in a geological disposal vault. Two samples from reactor zone 10 (samples No. D81N-190292 and D73-88) and one sample from reactor zone 13 (sample No. SD37-S2/CD) were analysed. Low-resolution XPS spectra were recorded to determine the major elements present in the ore. High-resolution spectra were recorded to gain information about the chemical state of the elements present in the mineral samples. The samples show low values for the U{sup 6+}/U{sup 4+} ratio. The oxidation state of uranium in these samples is even lower than that in U{sub 4}O{sub 9}.The binding energies of the Pb 4f bands indicate most of the Pb is in the +2 oxidation state in these samples. The C ls band indicates the presence of organic carbon. XRD analysis shows that the main uranium-bearing phase is uraninite and lead is present mainly as galena. The significance of the results for nuclear fuel waste management is discussed.

  20. Formation of hydroxyl and water layers on MgO films studied with ambient pressure XPS

    NASA Astrophysics Data System (ADS)

    Newberg, John T.; Starr, David E.; Yamamoto, Susumu; Kaya, Sarp; Kendelewicz, Tom; Mysak, Erin R.; Porsgaard, Soeren; Salmeron, Miquel B.; Brown, Gordon E., Jr.; Nilsson, Anders; Bluhm, Hendrik

    2011-01-01

    To understand the interaction of water with MgO(100), a detailed quantitative assessment of the interfacial chemistry is necessary. We have used ambient pressure X-ray photoelectron spectroscopy (XPS) to measure molecular (H 2O) and dissociative (OH) water adsorption on a 4 monolayer (ML) thick MgO(100)/Ag(100) film under ambient conditions. Since the entire 4 ML metal oxide (Ox) film is probed by XPS, the reaction of the MgO film with water can be quantitatively studied. Using a multilayer model (Model 1) that measures changes in Ox thickness from O 1s (film) and Ag 3d (substrate) spectra, it is shown that the oxide portion of the MgO film becomes thinner upon hydroxylation. A reaction mechanism is postulated in which the top-most layer of MgO converts to Mg(OH) 2 upon dissociation of water. Based on this mechanism a second model (Model 2) is developed to calculate Ox and OH thickness changes based on OH/Ox intensity ratios from O 1s spectra measured in situ, with the known initial Ox thickness prior to hydroxylation. Models 1 and 2 are applied to a 0.15 Torr isobar experiment, yielding similar results for H 2O, OH and Ox thickness changes as a function of relative humidity.

  1. XPS studies on aluminum ions modified polyimide with the PIII technique

    SciTech Connect

    Han, Zhao Jun; Tay, Beng Kang; Ha, Peter C.T.; Sze, Jia Yin; Chua, Daniel H.C.

    2007-03-01

    Polyimide samples modified by aluminum (Al) ions produced by filtered cathodic vacuum arc (FCVA) with plasma immersion ion implantation (PIII) technique, under ambient argon and oxygen gases (flow rate Ar:O{sub 2}=2:1) were investigated by x-ray photoelectron spectroscopy (XPS). The working pressure was about 8x10{sup -4} Torr and the plasma density was estimated to be 10{sup 9} ions/cm{sup 3}. The applied bias voltages were varied from 5 to 12.5 kV but with fixed frequency at 900 Hz and duty time of 15 {mu}s. For 1 min process time, C 1s and O 1s spectra for modified samples clearly indicated that the carbonyl group (C=O) was largely destroyed by incident Al ions while Al 2p spectra suggested Al atoms remain inside polyimide matrices in the form of C-O-Al complexes. For a 5 min process time, when the ion fluence became large, both C 1s and O 1s spectra suggested a structure of aluminum oxide-mixed layer-polyimide and Al 2p spectra confirmed that most Al atoms were bonded to oxygen atoms on the top surface. These XPS results revealed the chemical bonds between implanted and deposited Al ions and polyimide matrix by using the PIII technique. The structural information can also be suggested. Furthermore in this paper, some discussions with the theoretical [the stopping and range of ions in matter (SRIM)] simulation were also mentioned in order to explore the effectiveness of Al ions irradiation on polyimide.

  2. XPS Observations of Crystal Field Splitting in TiO2 Thin Films in Quantum Confinement Approach

    NASA Astrophysics Data System (ADS)

    Sushkova, Natalya

    2015-03-01

    Transition metal oxides attract increased interest due to amazing electrical and magnetic properties and their outstanding applications designated by relative d-band redistributions that are shifted in such a way that narrow bands arranged by localized electrons are situated in the vicinity of EF. Different kinds of lattice distortions caused by doping and/or quantum size confinement of TM oxides are assigned to remarkable phenomenon Mott metal-insulator transitions, when mutual metal-oxide orbital arrangement changes dramatically. There is a widespread consensus that strong electron correlations are responsible for that change and magnetic excitation is one of manifestations of these correlations. Here we are presenting XPS study of titanium dioxide nanocrystal formations on silicon substrate with native oxide. The dynamic changes in XPS spectra were used for analysis of TiO2 thin films with mass thicknesses up to 2 monolayers formed by redox reactions of sputtered Ti on Si(100) substrate with native oxide implemented in situ under UHV conditions. XPS spectra evolution, as a traditional source of information on phase composition, was complemented by the possibility to estimate the morphology and crystal field splitting of formed precipitates. Intensity fluctuations observed for O1s, Si 2p, Ti2p spectra were accompanied by crystal field splitting in Ti2p and on second derivatives of O1s. These fluctuations were followed by noticeable changes in the vicinity of band gap indicating possible Mott metal-insulator transitions.

  3. Structural and electronic properties of V{sub 2}O{sub 3} ultrathin film on Ag(001): LEED and photoemission study

    SciTech Connect

    Kundu, Asish K. Menon, Krishnakumar S. R.

    2016-05-06

    V{sub 2}O{sub 3} ultrathin films were grown on Ag(001) substrate by reactive evaporation of vanadium (V) metal in presence of oxygen and their structural and electronic properties were studied by Low Energy Electron Diffraction (LEED), X-ray Photo Electron Spectroscopy (XPS) and Angle Resolved Photoemission Spectroscopic (ARPES) techniques, respectively. On top of square symmetry substrate Ag(001), hexagonal surface of V{sub 2}O{sub 3} (0001) is stabilized in the form of two domain structure, rotated by 30°(or 90°)to each other, has been observed by LEED. Rather than epitaxial flat monolayer, formation of well-ordered V{sub 2}O{sub 3} (0001) island has been confirmed from the LEED and the Photoemission Spectroscopic (PES) study. Stoichiometry of the grown film was confirmed by the XPS study. Evolution of valance band electronic structure of V{sub 2}O{sub 3} (0001) surface has been studied as a function of film thickness by ARPES.

  4. Core-level photoemission from nanocluster-matrix composites: Au clusters in amorphous carbon

    NASA Astrophysics Data System (ADS)

    Calliari, L.; Minati, L.; Speranza, G.; Paris, A.; Baranov, A.; Fanchenko, S.

    2014-09-01

    We investigate a system consisting of Au nano-clusters and amorphous carbon (a-C) via core-level photoemission. While the ability of photoemission to characterize nano-sized metal clusters is well-known, still some issues deserve investigation. For example, the well-established dominance of final-state relaxation effects in core-level spectra from nano-clusters necessarily involves a crucial role of the cluster dielectric-environment. To the best of our knowledge however, a thorough discussion on this point is lacking. We thus intend to investigate dielectric-environment effects by considering several configurations for Au clusters, i.e. supported and embedded, with the latter obtained either by depositing a-C on top of supported clusters or by co-depositing a-C and Au. We analyze the Au4 f spectrum from clusters accounting for both cluster size and cluster location with respect to the a-C matrix. We show that spectral changes caused by a-C deposition are entirely explained in terms of changes in the cluster dielectric environment. Moreover, we prove that supported clusters are in a well-characterized dielectric environment, while embedded clusters are not. This is because embedded clusters, whatever the method of production, are spatially distributed over the matrix surface-region which is characterized by rapid fluctuations in the dielectric constant.

  5. Comparison between laser-induced photoemissions and phototransmission of hard tissues using fibre-coupled Nd:YAG and Er(3+)-doped fibre lasers.

    PubMed

    El-Sherif, Ashraf Fathy

    2012-07-01

    During pulsed laser irradiation of dental enamel, laser-induced photoemissions result from the laser-tissue interaction through mechanisms including fluorescence and plasma formation. Fluorescence induced by non-ablative laser light interaction has been used in tissue diagnosis, but the photoemission signal accompanying higher power ablative processes may also be used to provide real-time monitoring of the laser-tissue interaction. The spectral characteristics of the photoemission signals from normal and carious tooth enamel induced by two different pulsed lasers were examined. The radiation sources compared were a high-power extra-long Q-switched Nd:YAG laser operating at a wavelength of 1,066 nm giving pulses (with pulse durations in the range 200-250 μs) in the near infrared and a free-running Er(3+)-doped ZBLAN fibre laser operating at a wavelength near 3 μm with similar pulse durations in the mid-infrared region. The photoemission spectra produced during pulsed laser irradiation of enamel samples were recorded using a high-resolution spectrometer with a CCD array detector that enabled an optical resolution as high as 0.02 nm (FWHM). The spectral and time-dependence of the laser-induced photoemission due to thermal emission and plasma formation were detected during pulsed laser irradiation of hard tissues and were used to distinguish between normal and carious teeth. The use of these effects to distinguish between hard and soft biological tissues during photothermal ablation with a pulsed Nd:YAG laser or an Er fibre laser appears feasible. The real-time spectrally resolved phototransmission spectrum produced during pulsed Nd:YAG laser irradiation of human tooth enamel samples was recorded, with a (normalized) relative transmission coefficient of 1 (100%) for normal teeth and 0.6 (60%) for the carious teeth. The photoemission signal accompanying ablative events may also be used to provide real-time monitoring of the laser-tissue interaction.

  6. C-C bond unsaturation degree in monosubstituted ferrocenes for molecular electronics investigated by a combined near-edge x-ray absorption fine structure, x-ray photoemission spectroscopy, and density functional theory approach

    SciTech Connect

    Boccia, A.; Lanzilotto, V.; Marrani, A. G.; Zanoni, R.; Stranges, S.; Alagia, M.; Fronzoni, G.; Decleva, P.

    2012-04-07

    We present the results of an experimental and theoretical investigation of monosubstituted ethyl-, vinyl-, and ethynyl-ferrocene (EtFC, VFC, and EFC) free molecules, obtained by means of synchrotron-radiation based C 1s photoabsorption (NEXAFS) and photoemission (C 1s XPS) spectroscopies, and density functional theory (DFT) calculations. Such a combined study is aimed at elucidating the role played by the C-C bond unsaturation degree of the substituent on the electronic structure of the ferrocene derivatives. Such substituents are required for molecular chemical anchoring onto relevant surfaces when ferrocenes are used for molecular electronics hybrid devices. The high resolution C 1s NEXAFS spectra exhibit distinctive features that depend on the degree of unsaturation of the hydrocarbon substituent. The theoretical approach to consider the NEXAFS spectrum made of three parts allowed to disentangle the specific contribution of the substituent group to the experimental spectrum as a function of its unsaturation degree. C 1s IEs were derived from the experimental data analysis based on the DFT calculated IE values for the different carbon atoms of the substituent and cyclopentadienyl (Cp) rings. Distinctive trends of chemical shifts were observed for the substituent carbon atoms and the substituted atom of the Cp ring along the series of ferrocenes. The calculated IE pattern was rationalized in terms of initial and final state effects influencing the IE value, with special regard to the different mechanism of electron conjugation between the Cp ring and the substituent, namely the {sigma}/{pi} hyperconjugation in EtFC and the {pi}-conjugation in VFC and EFC.

  7. C-C bond unsaturation degree in monosubstituted ferrocenes for molecular electronics investigated by a combined near-edge x-ray absorption fine structure, x-ray photoemission spectroscopy, and density functional theory approach

    NASA Astrophysics Data System (ADS)

    Boccia, A.; Lanzilotto, V.; Marrani, A. G.; Stranges, S.; Zanoni, R.; Alagia, M.; Fronzoni, G.; Decleva, P.

    2012-04-01

    We present the results of an experimental and theoretical investigation of monosubstituted ethyl-, vinyl-, and ethynyl-ferrocene (EtFC, VFC, and EFC) free molecules, obtained by means of synchrotron-radiation based C 1s photoabsorption (NEXAFS) and photoemission (C 1s XPS) spectroscopies, and density functional theory (DFT) calculations. Such a combined study is aimed at elucidating the role played by the C-C bond unsaturation degree of the substituent on the electronic structure of the ferrocene derivatives. Such substituents are required for molecular chemical anchoring onto relevant surfaces when ferrocenes are used for molecular electronics hybrid devices. The high resolution C 1s NEXAFS spectra exhibit distinctive features that depend on the degree of unsaturation of the hydrocarbon substituent. The theoretical approach to consider the NEXAFS spectrum made of three parts allowed to disentangle the specific contribution of the substituent group to the experimental spectrum as a function of its unsaturation degree. C 1s IEs were derived from the experimental data analysis based on the DFT calculated IE values for the different carbon atoms of the substituent and cyclopentadienyl (Cp) rings. Distinctive trends of chemical shifts were observed for the substituent carbon atoms and the substituted atom of the Cp ring along the series of ferrocenes. The calculated IE pattern was rationalized in terms of initial and final state effects influencing the IE value, with special regard to the different mechanism of electron conjugation between the Cp ring and the substituent, namely the σ/π hyperconjugation in EtFC and the π-conjugation in VFC and EFC.

  8. Characterization of fossil remains using XRF, XPS and XAFS spectroscopies

    NASA Astrophysics Data System (ADS)

    Zougrou, I. M.; Katsikini, M.; Pinakidou, F.; Brzhezinskaya, M.; Papadopoulou, L.; Vlachos, E.; Tsoukala, E.; Paloura, E. C.

    2016-05-01

    Synchrotron radiation micro-X-Ray Fluorescence (μ-XRF), X-ray photoelectron (XPS) and X-ray Absorption Fine Structure (XAFS) spectroscopies are applied for the study of paleontological findings. More specifically the costal plate of a gigantic terrestrial turtle Titanochelon bacharidisi and a fossilized coprolite of the cave spotted hyena Crocuta crocuta spelaea are studied. Ca L 2,3-edge NEXAFS and Ca 2p XPS are applied for the identification and quantification of apatite and Ca containing minerals. XRF mapping and XAFS are employed for the study of the spatial distribution and speciation of the minerals related to the deposition environment.

  9. Spectroscopic imaging, diffraction, and holography with x-ray photoemission

    SciTech Connect

    Not Available

    1992-02-01

    X-ray probes are capable of determining the spatial structure of an atom in a specific chemical state, over length scales from about a micron all the way down to atomic resolution. Examples of these probes include photoemission microscopy, energy-dependent photoemission diffraction, photoelectron holography, and X-ray absorption microspectroscopy. Although the method of image formation, chemical-state sensitivity, and length scales can be very different, these X-ray techniques share a common goal of combining a capability for structure determination with chemical-state specificity. This workshop will address recent advances in holographic, diffraction, and direct imaging techniques using X-ray photoemission on both theoretical and experimental fronts. A particular emphasis will be on novel structure determinations with atomic resolution using photoelectrons.

  10. Excitation of XPS spectra from nanoscaled particles by local generation of x-rays

    SciTech Connect

    Mallinson, Christopher F.; Castle, James E.

    2015-09-15

    In preliminary work, the authors have shown that use of an aluminum substrate to support a distribution of copper particles enables their characteristic photoelectrons to be observed within the Auger electron spectrum generated by an incident electron beam. This observation raises the possibility of the use of chemical shifts and the corresponding Auger parameter to identify the chemical states present on the surface of individual submicrometer particles within a mixture. In this context, the technique has an advantage in that, unlike conventional Auger electron spectroscopy, the electron beam does not dwell on the particle but on the substrate adjacent to it. Given the importance, for both medical and toxicological reasons, of the surface composition of such particles, the authors have continued to explore the potential of this development. In this contribution, the authors show that proximal excitation of x-rays is equally successful with magnesium substrates. In some regions of the x-ray photoelectron spectrum, the much larger Auger peaks generated by the electron beam can cause inconvenient clustering of Auger and photoelectron peaks. As in conventional x-ray photoelectron spectroscopy, the ability to switch between Al and Mg sources is useful in such situations. In this context, the authors have extended the studies to iron particles where the authors show that use of Al or Mg substrates, as necessary, can make a contribution to clear identification of individual components in the Fe 2p peaks. For this development in electron spectroscopy to achieve its full potential, it is necessary to optimize the beam conditions used to generate the local x-ray to give good selectivity of a given particle. Measurements made in support of this will be given. Of greater concern is a possible problem of local heating associated with x-ray generation. The authors continue to explore this problem and report some progress in minimizing heating of the particle while maintaining the particle selectivity that is central to this exciting development.

  11. Bulk-sensitive Mo 4d electronic structure of Sr2FeMoO6 probed by high-energy Mo L3 resonant photoemission

    NASA Astrophysics Data System (ADS)

    Martins, H. P.; Prado, F.; Caneiro, A.; Vicentin, F. C.; Mossanek, R. J. O.; Abbate, M.

    2017-05-01

    We studied the Mo 4d electronic structure of Sr2FeMoO6 using high-energy Mo L 3 resonant photoemission. The experimental spectra are in good agreement with modified Becke-Johnson (mBJ) band structure calculations. The energy dependence of the spectra can be explained by the changes in the photoemission cross-sections. The Mo L 3 resonant spectrum shows Mo 4d character below the Fermi level and mixed Mo 4d-O 2p character around 8.0 eV. The Mo 4d weight in the resonant spectrum is in good agreement with the calculated interference between the direct and decay terms. The high photon energy used in this study (about 2520 eV) provides a bulk-sensitive determination of the Mo 4d electronic structure.

  12. Structural and XPS studies of PSi/TiO2 nanocomposites prepared by ALD and Ag-assisted chemical etching

    NASA Astrophysics Data System (ADS)

    Iatsunskyi, Igor; Kempiński, Mateusz; Nowaczyk, Grzegorz; Jancelewicz, Mariusz; Pavlenko, Mykola; Załęski, Karol; Jurga, Stefan

    2015-08-01

    PSi/TiO2 nanocomposites fabricated by atomic layer deposition (ALD) and metal-assisted chemical etching (MACE) were investigated. The morphology and phase structure of PSi/TiO2 nanocomposites were studied by means of scanning electron microscopy (SEM), transmission electron microscopy (TEM) with an energy dispersive X-ray spectroscopy (EDX) and Raman spectroscopy. The mean size of TiO2 nanocrystals was determined by TEM and Raman spectroscopy. X-ray photoelectron spectroscopy (XPS) was used to analyze the chemical elemental composition by observing the behavior of the Ti 2p, O 1s and Si 2p lines. TEM, Raman spectroscopy and XPS binding energy analysis confirmed the formation of TiO2 anatase phase inside the PSi matrix. The XPS valence band analysis was performed in order to investigate the modification of PSi/TiO2 nanocomposites electronic structure. Surface defects states of Ti3+ at PSi/TiO2 nanocomposites were identified by analyzing of XPS valence band spectra.

  13. Photoemission Electron Microscopy of a Plasmonic Silver Nanoparticle Trimer

    SciTech Connect

    Peppernick, Samuel J.; Joly, Alan G.; Beck, Kenneth M.; Hess, Wayne P.; Wang, Jinyong; Wang, Yi-Chung; Wei, Wei

    2013-07-01

    We present a combined experimental and theoretical study to investigate the spatial distribution of photoelectrons emitted from core-shell silver (Ag) nanoparticles. We use two-photon photoemission microscopy (2P-PEEM) to spatially resolve electron emission from a trimeric core-shell aggregate of triangular symmetry. Finite difference time domain (FDTD) simulations are performed to model the intensity distributions of the electromagnetic near-fields resulting from femtosecond (fs) laser excitation of localized surface plasmon oscillations in the triangular core-shell structure. We demonstrate that the predicted FDTD near-field intensity distribution reproduces the 2P-PEEM photoemission pattern.

  14. Photoemission from Ag, Cu, and CsI

    SciTech Connect

    Srinivasan-Rao, T.; Fischer, J.; Tsang, T.

    1992-06-01

    Photoemission characteristics of three different cathodes, CsI, Ag film and Cu were investigated. CsI, upon irradiation by 213 nm, 10ps laser pulse yields a quantum efficiency of 4% at O.2[mu]J input energy. The saturation mechanism observed at higher input energies require further investigation. Ag film, upon irradiation by 630 nm, 300 fs laser emit prompt photoelectrons after absorbing 2 photons. There was no evidence of optical damage of the film up to 10[sup 11] W/cm[sup 2]. At low intensities, photoemission from Cu is a simple [nu]-e[sup [minus

  15. Photoemission studies from metal by UV lasers

    NASA Astrophysics Data System (ADS)

    Caretto, G.; Doria, D.; Nassisi, V.; Siciliano, M. V.

    2007-04-01

    Studies of electron emission by photoelectric process from pure Zn cathodes by UV laser beams were performed. As UV sources, two different wavelength excimer lasers were utilized in order to investigate the photoemission as pure photoelectric process and multiphoton process. The Schottky effect was also considered. The utilized laser sources were a KrF operating at 248nm wavelength (5eV), 23ns full width at half maximum (FWHM), and a XeCl operating at 308nm wavelength (4.02eV), 10ns FWHM. The cathode work function was 4.33eV, a value lower and higher than the photon energies of KrF and XeCl lasers, respectively. The photocathodes were tested in a vacuum photodiode cell at 10-7mbar. The cathodes were irradiated at normal incidence and the anode-cathode distance was set to 3.7mm. Due to the electrical breakdown into the photodiode gap, the maximum applied accelerating voltage was 20kV. Under the above experimental conditions a maximum of 5.4MV/m electric field resulted. Under the space charge effect, the electron emission was higher than the one expected by the Child-Langmuir law. In saturation regime the electron emission increased with the accelerating voltage owing to the Schottky effect and plasma formation. The highest output current was achieved with the KrF laser at 14mJ laser energy. Its value was about 12A, corresponding to a global quantum efficiency of approximately 1×10-4, while the temporal quantum efficiency presented a maximum value of 1.1×10-4 located at the tail of the laser pulse. The estimated efficiencies with the XeCl laser were lower than the KrF ones as well as the output current and the plasma formation, although higher energy values than the KrF ones were utilized. By the results obtained, we conclude that the plasma generation is strongly due to the extracted current but weakly to the used laser intensity.

  16. Vacuum space charge effects in sub-picosecond soft X-ray photoemission on a molecular adsorbate layer

    DOE PAGES

    Dell'Angela, M.; Anniyev, T.; Beye, M.; ...

    2015-03-01

    Vacuum space charge-induced kinetic energy shifts of O 1s and Ru 3d core levels in femtosecond soft X-ray photoemission spectra (PES) have been studied at a free electron laser (FEL) for an oxygen layer on Ru(0001). We fully reproduced the measurements by simulating the in-vacuum expansion of the photoelectrons and demonstrate the space charge contribution of the high-order harmonics in the FEL beam. Employing the same analysis for 400 nm pump-X-ray probe PES, we can disentangle the delay dependent Ru 3d energy shifts into effects induced by space charge and by lattice heating from the femtosecond pump pulse.

  17. Anisotropy in ordered sexithiophene thin films studied by angle-resolved photoemission using combined laser and synchrotron radiation

    NASA Astrophysics Data System (ADS)

    Heiner, C. E.; Dreyer, J.; Hertel, I. V.; Koch, N.; Ritze, H.-H.; Widdra, W.; Winter, B.

    2005-08-01

    We present angle-resolved photoemission (PE) spectra of ordered multilayer sexithiophene (6T) films, 200nm thick, grown on a Au(110) single crystal. However, the measurement of sharp and nonshifted PE spectral features from the low-conducting organic material is only possible if the positive surface charge, generated in the PE process, is fully compensated. We have accomplished this by simultaneous laser irradiation. On the basis of the resulting data we found that for these thick films the 6T molecules are preferentially oriented with their long axes nearly normal to the surface.

  18. Resonant photoemission study of the 4f spectral function of cerium in Ce/Fe(100) interfaces

    SciTech Connect

    Witkowski, N.; Bertran, F.; Gourieux, T.; Kierren, B.; Malterre, D.; Panaccione, G. |

    1997-11-01

    In this paper, we present a resonant photoemission study of the cerium 4f spectral function in Ce/Fe(100) interfaces. By covering cerium ultrathin films with lanthanum, we completely suppress the surface contribution of the spectra. Then we show that the cerium atoms at the interface are in an intermediate valent state, whereas the f{sup 1} configuration is stabilized in the top layer. This method allows us to obtain the genuine 4f spectral function of the interface, and could be extended to a study of Ce-based compounds. {copyright} {ital 1997} {ital The American Physical Society}

  19. XPS Analysis of Nanostructured Materials and Biological Surfaces

    SciTech Connect

    Baer, Donald R.; Engelhard, Mark H.

    2010-05-01

    This paper examines the types of information that XPS can provide about a variety of nano-structured materials. Although it is sometimes not considered a “nano-scale analysis method” XPS can provide a great deal of information about elemental distributions, layer or coating structure and thicknesses, surface functionality, and even particles sizes on the 1-20 nm scale for samples types that may not be readily analyzed by other methods. This information is important for both synthetic nanostructured or nanosized materials and a variety of natural materials with nanostructure. Although the links between nanostructure materials and biological systems may not at first be obvious, many biological molecules and some organisms are the sizes of nanoparticles. The nanostructure of cells and microbes plays a significant role in how they interact with their environment. The interaction of biomolecules with nanoparticles is important for medical and toxicity studies. The interaction of biomolecules is important for sensor function and many nanomaterials are now the active elements in sensors. This paper first discusses how nanostructures influences XPS data as part of understanding how simple models of sample structure and data analysis can be used to extract information about the physical and chemical structure of the materials being analyzed. Equally important, aspects of sample and analysis limitations and challenges associated with understanding nanostructured materials are indicated. Examples of the application of XPS to nanostructured and biological systems and materials are provided.

  20. An Introduction to Surface Analysis by XPS and AES

    NASA Astrophysics Data System (ADS)

    Watts, John F.; Wolstenholme, John

    2003-05-01

    Extensively revised and updated with additional material included in existing chapters and new material on angle resolved XPS, surface engineering and complimentary methods. * Includes an accessible introduction to the key spectroscopic techniques in surface analysis. * Provides descriptions of latest instruments and techniques. * Includes a detailed glossary of key surface analysis terms.

  1. Stacking-Dependent Electronic Structure of Trilayer Graphene Resolved by Nanospot Angle-Resolved Photoemission Spectroscopy.

    PubMed

    Bao, Changhua; Yao, Wei; Wang, Eryin; Chen, Chaoyu; Avila, José; Asensio, Maria C; Zhou, Shuyun

    2017-03-08

    The crystallographic stacking order in multilayer graphene plays an important role in determining its electronic structure. In trilayer graphene, rhombohedral stacking (ABC) is particularly intriguing, exhibiting a flat band with an electric-field tunable band gap. Such electronic structure is distinct from simple hexagonal stacking (AAA) or typical Bernal stacking (ABA) and is promising for nanoscale electronics and optoelectronics applications. So far clean experimental electronic spectra on the first two stackings are missing because the samples are usually too small in size (μm or nm scale) to be resolved by conventional angle-resolved photoemission spectroscopy (ARPES). Here, by using ARPES with a nanospot beam size (NanoARPES), we provide direct experimental evidence for the coexistence of three different stackings of trilayer graphene and reveal their distinctive electronic structures directly. By fitting the experimental data, we provide important experimental band parameters for describing the electronic structure of trilayer graphene with different stackings.

  2. Photoemission and electrostatic potentials on the dayside lunar surface in the terrestrial magnetotail lobes

    NASA Astrophysics Data System (ADS)

    Harada, Y.; Poppe, A. R.; Halekas, J. S.; Chamberlin, P. C.; McFadden, J. P.

    2017-06-01

    Despite the need to accurately predict and assess the lunar electrostatic environment in all ambient conditions that the Moon encounters, photoemission and electrostatic potentials on the dayside lunar surface in the terrestrial magnetotail lobes remain poorly characterized. We study characteristics and variabilities of lunar photoelectron energy spectra by utilizing Acceleration, Reconnection, Turbulence, and Electrodynamics of the Moon's Interaction with the Sun (ARTEMIS) and Apollo measurements in combination with the Flare Irradiance Spectral Model (FISM). We confirm that the photoelectron spectral shapes are consistent between ARTEMIS and Apollo and that the photoelectron flux is linearly correlated with the FISM solar photon flux. We develop an observation-based model of lunar photoelectron energy distributions, thereby deriving the current balance surface potential. The model predicts that dayside lunar surface potentials in the tail lobes (typically tens of volts) could increase by a factor of 2-3 during strong solar flares.

  3. Direct detection of density of gap states in C60 single crystals by photoemission spectroscopy

    NASA Astrophysics Data System (ADS)

    Bussolotti, Fabio; Yang, Janpeng; Hiramoto, Masahiro; Kaji, Toshihiko; Kera, Satoshi; Ueno, Nobuo

    2015-09-01

    We report on the direct and quantitative evaluation of density of gap states (DOGS) in large-size C60 single crystals by using ultralow-background, high-sensitivity ultraviolet photoemission spectroscopy. The charging of the crystals during photoionization was overcome using photoconduction induced by simultaneous laser irradiation. By comparison with the spectra of as-deposited and gas exposed C60 thin films the following results were found: (i) The DOGS near the highest occupied molecular orbital edge in the C60 single crystals (1019-1021states e V-1c m-3) mainly originates from the exposure to inert and ambient gas atmosphere during the sample preparation, storage, and transfer; (ii) the contribution of other sources of gap states such as structural imperfections at grain boundaries is negligible (<1018states e V-1c m-3) .

  4. Photoemission study of YBa(2)Cu(3)O(y) thin films under light illumination.

    PubMed

    Asakura, D; Quilty, J W; Takubo, K; Hirata, S; Mizokawa, T; Muraoka, Y; Hiroi, Z

    2004-12-10

    Heterojunctions of Nb-doped SrTiO3 substrate and YBa(2)Cu(3)O(y) thin films show photoconductivity and photovoltaic effects due to photocarrier injection. Photocarrier injection is expected to be a new carrier doping method in strongly correlated systems instead of chemical substitution. We have studied the nature of photocarrier injection in YBa(2)Cu(3)O(y)/SrTiO(3):Nb using x-ray photoemission spectroscopy with pulsed laser excitation. The core-level spectra shift to higher binding energy by 0.78 eV under pulsed laser illumination at 30 Hz. The energy shift corresponds to the photovoltage, which arises at the interface. In addition, we have observed that the energy shift strongly depends on the frequency of the laser. The lifetime of the injected photoholes has been estimated to be 40 ms by analyzing the frequency dependence.

  5. Resonant interaction between two Cu quantum wells investigated by angle-resolved photoemission spectroscopy

    NASA Astrophysics Data System (ADS)

    Wu, Y. Z.; Won, C.; Rotenberg, E.; Zhao, H. W.; Xue, Qi-Kun; Kim, W.; Owens, T. L.; Smith, N. V.; Qiu, Z. Q.

    2006-03-01

    Double quantum wells (QWs) of Cu thin films were investigated using angle-resolved photoemission spectroscopy. The thickness ratio of the two Cu QW films was chosen to be 1:1 and 2:1 to purposely group the QW states of the two Cu films into degenerate and nondegenerate states. The energy spectra of the valence band show that only the degenerate QW states interact resonantly to split each degenerate state into two separate states. Furthermore, by investigating the interaction of two Cu films across a Ni/Cu [14 monolayer (ML)]/Ni QW, we show clearly that resonant splitting occurs at the quantized energy levels of the middle 14 ML Cu QW film.

  6. Comparative study of the native oxide on 316L stainless steel by XPS and ToF-SIMS

    SciTech Connect

    Tardio, Sabrina Abel, Marie-Laure; Castle, James E.; Watts, John F.; Carr, Robert H.

    2015-09-15

    The very thin native oxide film on stainless steel, of the order of 2 nm, is known to be readily modified by immersion in aqueous media. In this paper, X-ray photoelectron spectroscopy (XPS) and time of flight secondary ions mass spectrometry are employed to investigate the nature of the air-formed film and modification after water emersion. The film is described in terms of oxide, hydroxide, and water content. The preferential dissolution of iron is shown to occur on immersion. It is shown that a water absorbed layer and a hydroxide layer are present above the oxide-like passive film. The concentrations of water and hydroxide appear to be higher in the case of exposure to water. A secure method for the peak fitting of Fe2p and Cr2p XPS spectra of such films on their metallic substrates is described. The importance of XPS survey spectra is underlined and the feasibility of C{sub 60}{sup +} SIMS depth profiling of a thin oxide layer is shown.

  7. Elastic and inelastic contributions to the XPS photoelectron diffraction patterns of Ni(100) and NiO(100)

    NASA Astrophysics Data System (ADS)

    Steiner, P.; Straub, Th.; Reinert, Fr.; Zimmermann, R.; Hüfner, S.

    1993-07-01

    XPS spectra of Ni(100) and NiO(100) single crystals, measured as a function of the polar angle in the [100]-[010] emission plane, are successfully decomposed into their elastic (intrinsic spectrum) and inelastic contributions using the background subtraction procedure as proposed by Tougaard et al. [Phys. Rev. B 25 (1981) 4452; Surf. Interface Anal. 11 (1988) 453; J. Electron Spectrosc. Relat. Phenom. 52 (1990) 243], with an electron energy loss function deduced from experimental electron energy loss spectra. The inelastic background correction factor shows a diffraction pattern which anticorrelates nearly linearly to the photoelectron diffraction pattern of the intrinsic spectrum, that is its maxima and minima coincide with the minima and maxima of the latter. This behaviour can be described by a simple model, based on heuristic arguments on inelastic and elastic losses and "defocusing" due to multiple scattering along densely packed rows of atoms in the lattice. The consequence of different background subtraction procedures on the shape of the XPS diffraction pattern and for the quantification of XPS data is discussed.

  8. Photoemission of Single Dust Grains for Heliospheric Conditions

    NASA Technical Reports Server (NTRS)

    Spann, James F., Jr.; Venturini, Catherine C.; Abbas, Mian M.; Comfort, Richard H.

    2000-01-01

    Initial results of an experiment to measure the photoemission of single dust grains as a function of far ultraviolet wavelengths are presented. Coulombic forces dominate the interaction of the dust grains in the heliosphere. Knowledge of the charge state of dust grains, whether in a dusty plasma (Debye length < intergrain distance) or in the diffuse interplanetary region, is key to understanding their interaction with the solar wind and other solar system constituents. The charge state of heliospheric grains is primarily determined by primary electron and ion collisions, secondary electron emission and photoemission due to ultraviolet sunlight. We have established a unique experimental technique to measure the photoemission of individual micron-sized dust grains in vacuum. This technique resolves difficulties associated with statistical measurements of dust grain ensembles and non-static dust beams. The photoemission yield of Aluminum Oxide 3-micron grains For wavelengths from 120-300 nm with a spectral resolution of 1 nm FWHM is reported. Results are compared to interplanetary conditions.

  9. Photoemission of Single Dust Grains for Heliospheric Conditions

    NASA Technical Reports Server (NTRS)

    Spann, James F., Jr.; Venturini, Catherine C.; Abbas, Mian M.; Comfort, Richard H.

    2000-01-01

    Initial results of an experiment to measure the photoemission of single dust grains as a function of far ultraviolet wavelengths are presented. Coulombic forces dominate the interaction of the dust grains in the heliosphere. Knowledge of the charge state of dust grains, whether in a dusty plasma (Debye length < intergrain distance) or in the diffuse interplanetary region, is key to understanding their interaction with the solar wind and other solar system constituents. The charge state of heliospheric grains is primarily determined by primary electron and ion collisions, secondary electron emission and photoemission due to ultraviolet sunlight. We have established a unique experimental technique to measure the photoemission of individual micron-sized dust grains in vacuum. This technique resolves difficulties associated with statistical measurements of dust grain ensembles and non-static dust beams. The photoemission yield of Aluminum Oxide 3-micron grains For wavelengths from 120-300 nm with a spectral resolution of 1 nm FWHM is reported. Results are compared to interplanetary conditions.

  10. Photoemission of Mn6Cr single-molecule magnets

    NASA Astrophysics Data System (ADS)

    Heinzmann, U.; Merschjohann, F.; Helmstedt, A.; Gryzia, A.; Winter, A.; Steppeler, S.; Müller, N.; Brechling, A.; Sacher, M.; Richthofen, C.-G. Freiherr v.; Glaser, T.; Voss, S.; Fonin, M.; Rüdiger, U.

    2009-11-01

    We present the status of new experimental studies of X-ray absorption spectroscopy, magnetic circular dichroism in photoemission and spin-resolved photoelectron spectroscopy of Mn6Cr single-molecule magnet systems by use of circularly-polarized synchrotron radiation of the electron storage rings in Maxlab Lund, Sweden und BESSY, Berlin, Germany.

  11. One-step theory of two-photon photoemission

    NASA Astrophysics Data System (ADS)

    Braun, J.; Rausch, R.; Potthoff, M.; Ebert, H.

    2016-09-01

    A theoretical frame for two-photon photoemission is derived from the general theory of pump-probe photoemission, assuming that not only the probe but also the pump pulse is sufficiently weak. This allows us to use a perturbative approach to compute the lesser Green function within the Keldysh formalism. Two-photon photoemission spectroscopy is a widely used analytical tool to study nonequilibrium phenomena in solid materials. Our theoretical approach aims at a material-specific, realistic, and quantitative description of the time-dependent spectrum based on a picture of effectively independent electrons as described by the local-density approximation in band-structure theory. To this end we follow Pendry's one-step theory of the photoemission process as close as possible and heavily make use of concepts of relativistic multiple-scattering theory, such as the representation of the final state by a time-reversed low-energy electron diffraction state. The formalism allows for a quantitative calculation of the time-dependent photocurrent for moderately correlated systems like simple metals or more complex compounds like topological insulators. An application to the Ag(100) surface is discussed in detail.

  12. Relativistic calculations of angle-dependent photoemission time delay

    NASA Astrophysics Data System (ADS)

    Kheifets, Anatoli; Mandal, Ankur; Deshmukh, Pranawa C.; Dolmatov, Valeriy K.; Keating, David A.; Manson, Steven T.

    2016-07-01

    Angular dependence of photoemission time delay for the valence n p3 /2 and n p1 /2 subshells of Ar, Kr, and Xe is studied in the dipole relativistic random phase approximation. Strong angular anisotropy of the time delay is reproduced near respective Cooper minima while the spin-orbit splitting affects the time delay near threshold.

  13. A Monte Carlo photocurrent/photoemission computer program

    NASA Technical Reports Server (NTRS)

    Chadsey, W. L.; Ragona, C.

    1972-01-01

    A Monte Carlo computer program was developed for the computation of photocurrents and photoemission in gamma (X-ray)-irradiated materials. The program was used for computation of radiation-induced surface currents on space vehicles and the computation of radiation-induced space charge environments within space vehicles.

  14. FTIR and XPS studies of protein adsorption onto functionalized bioactive glass.

    PubMed

    Gruian, C; Vanea, E; Simon, S; Simon, V

    2012-07-01

    Adsorption and structural changes that occur upon interaction between methemoglobin (MetHb) and 5-methyl-aminomethyl-uridine forming enzyme (MnmE) with the surface of a bioactive glass (BG) were investigated by Fourier Transform Infrared (FTIR) spectroscopy and X-ray Photoelectron Spectroscopy (XPS). The effect of glutaraldehyde (GA) as a coupling agent for protein adsorption on BG was also investigated. The comparative analysis of FTIR spectra recorded from lyophilized proteins and from bioactive glass surface after protein adsorption was considered in order to obtain information about the changes in the secondary structure of the proteins. XPS data were used to determine the surface coverage. The unfolding of adsorbed proteins due to interactions between the internal hydrophobic protein domains and the hydrophobic BG surface was evidenced. After adsorption, the amount of α-helix decreases and less ordered structures (turns, random coils and aggregates) are preponderant. These changes are less pronounced on the BG functionalized with GA, suggesting that the treatment with GA preserves significantly larger amounts of α-helices in the structure of both proteins after adsorption.

  15. Ensuring the homogeneity of spray pyrolised SnS thin films employing XPS depth profiling

    NASA Astrophysics Data System (ADS)

    Sajeesh, T. H.; Deepa, K. G.; Vijayakumar, K. P.

    2017-05-01

    SnS thin films were prepared using chemical spray pyrolysis (CSP) technique. p-type SnS films with direct band gap of 1.33 eV and having very high absorption coefficient were obtained with the optimized deposition conditions. In this paper we focus on investigating the uniformity and phase purity of the hence deposited SnS films employing Raman and X-ray Photoelectron Spectroscopy (XPS) analysis. Raman Spectra of the films had only single peak corresponding to the Raman active Ag mode at 224 cm-1 which is characteristic for phase-pure SnS thin films. Detailed XPS analysis on these samples were performed by scanning the peaks for Sn, S, and O with high resolution to estimate the chemical states and composition. Employing Ar-ion sputtering, the depth profiles showing variation in concentration and binding energies of S, Sn, O over the sample thickness were obtained and the uniformity in composition along the thickness has been discussed in detail.

  16. Ultrathin TiO(x) films on Pt(111): a LEED, XPS, and STM investigation.

    PubMed

    Sedona, Francesco; Rizzi, Gian Andrea; Agnoli, Stefano; Llabrés i Xamena, Francesc X; Papageorgiou, Anthoula; Ostermann, Dieter; Sambi, Mauro; Finetti, Paola; Schierbaum, Klaus; Granozzi, Gaetano

    2005-12-29

    Ultrathin ordered titanium oxide films on Pt(111) surface are prepared by reactive evaporation of Ti in oxygen. By varying the Ti dose and the annealing conditions (i.e., temperature and oxygen pressure), six different long-range ordered phases are obtained. They are characterized by means of low-energy electron diffraction (LEED), X-ray photoemission spectroscopy (XPS), and scanning tunneling microscopy (STM). By careful optimization of the preparative parameters, we find conditions where predominantly single phases of TiO(x), revealing distinct LEED pattern and STM images, are produced. XPS binding energy and photoelectron diffraction (XPD) data indicate that all the phases, except one (the stoichiometric rect-TiO2), are one monolayer thick and composed of a Ti-O bilayer with interfacial Ti. Atomically resolved STM images confirm that these TiO(x) phases wet the Pt surface, in contrast to rect-TiO2. This indicates their interface stabilization. At a low Ti dose (0.4 monolayer equivalents, MLE), an incommensurate kagomé-like low-density phase (k-TiO(x) phase) is observed where hexagons are sharing their vertexes. At a higher Ti dose (0.8 MLE), two denser phases are found, both characterized by a zigzag motif (z- and z'-TiO(x) phases), but with distinct rectangular unit cells. Among them, z'-TiO(x), which is obtained by annealing in ultrahigh vacuum (UHV), shows a larger unit cell. When the postannealing of the 0.8 MLE deposit is carried out at high temperatures and high oxygen partial pressures, the incommensurate nonwetting, fully oxidized rect-TiO2 is found The symmetry and lattice dimensions are almost identical with rect-VO2, observed in the system VO(x)/Pd(111). At a higher coverage (1.2 MLE), two commensurate hexagonal phases are formed, namely the w- [(square root(43) x square root(43)) R 7.6 degrees] and w'-TiO(x) phase [(7 x 7) R 21.8 degrees]. They show wagon-wheel-like structures and have slightly different lattice dimensions. Larger Ti deposits

  17. Quantifying the Impact of Nanoparticle Coatings and Nonuniformities on XPS Analysis: Gold/Silver Core-Shell Nanoparticles.

    PubMed

    Wang, Yung-Chen; Engelhard, Mark H; Baer, Donald R; Castner, David G

    2016-04-05

    Spectral modeling of photoelectrons can serve as a valuable tool when combined with X-ray photoelectron spectroscopy (XPS) analysis. Herein, a new version of the NIST Simulation of Electron Spectra for Surface Analysis (SESSA 2.0) software, capable of directly simulating spherical multilayer NPs, was applied to model citrate stabilized Au/Ag-core/shell nanoparticles (NPs). The NPs were characterized using XPS and scanning transmission electron microscopy (STEM) to determine the composition and morphology of the NPs. The Au/Ag-core/shell NPs were observed to be polydispersed in size, nonspherical, and contain off-centered Au-cores. Using the average NP dimensions determined from STEM analysis, SESSA spectral modeling indicated that washed Au/Ag-core-shell NPs were stabilized with a 0.8 nm layer of sodium citrate and a 0.05 nm (one wash) or 0.025 nm (two wash) layer of adventitious hydrocarbon, but did not fully account for the observed XPS signal from the Au-core. This was addressed by a series of simulations and normalizations to account for contributions of NP nonsphericity and off-centered Au-cores. Both of these nonuniformities reduce the effective Ag-shell thickness, which effect the Au-core photoelectron intensity. The off-centered cores had the greatest impact for the particles in this study. When the contributions from the geometrical nonuniformities are included in the simulations, the SESSA generated elemental compositions that matched the XPS elemental compositions. This work demonstrates how spectral modeling software such as SESSA, when combined with experimental XPS and STEM measurements, advances the ability to quantitatively assess overlayer thicknesses for multilayer core-shell NPs and deal with complex, nonideal geometrical properties.

  18. XPS and NEXAFS studies of VUV/O₃-treated aromatic polyurea and its application to microchip electrophoresis.

    PubMed

    Shinohara, H; Nakahara, A; Kitagawa, F; Takahashi, Y; Otsuka, K; Shoji, S; Ohara, O; Mizuno, J

    2011-12-01

    In this study, the authors performed X-ray photoelectron spectroscopy (XPS) and near-edge X-ray absorption fine structure (NEXAFS) studies of vacuum ultraviolet (VUV)/O₃-treated aromatic polyurea films to investigate their treatment effects. XPS and NEXAFS spectra indicate that the benzene ring was cleaved after treatment and that carboxyl, hydroxyl, ketone and aldehyde groups were formed at the cleaved sites. The VUV/O₃-treated polyurea film was applied to a polymethylmethacrylate (PMMA) microchip for microchip electrophoresis (MCE) of bovine serum albumin (BSA). Fast electro-osmotic mobility of 4.6×10(-4) cm²/V/s as well as reduction of the BSA adhesion was achieved. This functional surface is useful for high-speed MCE analysis.

  19. Quantifying the Impact of Nanoparticle Coatings and Non-uniformities on XPS Analysis: Gold/silver Core-shell Nanoparticles

    SciTech Connect

    Wang, Yung-Chen Andrew; Engelhard, Mark H.; Baer, Donald R.; Castner, David G.

    2016-03-07

    Abstract or short description: Spectral modeling of photoelectrons can serve as a valuable tool when combined with X-ray photoelectron spectroscopy (XPS) analysis. Herein, a new version of the NIST Simulation of Electron Spectra for Surface Analysis (SESSA 2.0) software, capable of directly simulating spherical multilayer NPs, was applied to model citrate stabilized Au/Ag-core/shell nanoparticles (NPs). The NPs were characterized using XPS and scanning transmission electron microscopy (STEM) to determine the composition and morphology of the NPs. The Au/Ag-core/shell NPs were observed to be polydispersed in size, non-circular, and contain off-centered Au-cores. Using the average NP dimensions determined from STEM analysis, SESSA spectral modeling indicated that washed Au/Ag-core shell NPs were stabilized with a 0.8 nm l

  20. Surface and bulk investigation of ZSM5 and Al-MCM-41 usingsynchrotron XPS, XANES, and hexane cracking

    SciTech Connect

    Jalil, P.A.; Kariapper, M.S.; Faiz, Z.; Tabet, N.; Hamdan, N.M.; Diaz, J.; Hussain, Z.

    2005-05-12

    We present a comparative study of ZSM5 and Al-MCM-41 catalysts using spectroscopic and chemical techniques. The analysis of conventional and synchrotron XPS spectra of these catalysts reveals the presence of a topmost surface-related Si peak in addition to the bulk peak. XANES results suggest structural modification upon heating Al-MCM-41 at 500 C. Depth-resolved XPS data show Al depletion from the surface of Al-MCM-41 in contrast to surface enrichment of Al in ZSM5. These surface modifications could be one of the reasons for the weak acidity of Al-MCM-41 in chemical reactions such as hexane cracking at different temperatures.

  1. Surface and bulk investigation of ZSM5 and Al-MCM-41 usingsynchrotron XPS, XANES, and hexane cracking

    SciTech Connect

    Jalil, P.A.; Kariapper, M.S.; Faiz, Z.; Tabet, N.; Hamdan, N.M.; Diaz, J.; Hussain, Z.

    2005-05-12

    We present a comparative study of ZSM5 and Al-MCM-41 catalysts using spectroscopic and chemical techniques. The analysis of conventional and synchrotron XPS spectra of these catalysts reveals the presence of a topmost surface-related Si peak in addition to the bulkpeak. XANES results suggest structural modification upon heating Al-MCM-41 at 500 C. Depth-resolved XPS data show Al depletion from the surface of Al-MCM-41 in contrast to surface enrichment of Al in ZSM5. These surface modifications could be one of the reasons for the weak acidity of Al-MCM-41 in chemical reactions such as hexane cracking at different temperatures.

  2. Electronic Properties of Pseudomorphic Metallic Films: Photoemission and Inverse Photoemission Measurements

    NASA Astrophysics Data System (ADS)

    Mankey, Gary Jay

    Recent developments in experimental physics have made possible the production and characterization of ultrathin metallic films of atomic dimension. The methods used to grow pseudomorphic fcc films of Ni, Co, and Fe on Cu(001) are described. High-quality epitaxial films are produced by vapor deposition in an ultra-high vacuum environment on suitably prepared substrates. The morphology of these films is characterized using a variety of experimental techniques: Auger electron spectroscopy, low-energy electron diffraction, reflection high-energy electron diffraction, and thermal desorption spectroscopy of adsorbed hydrogen. The magnetic properties of the films are measured with a surface magneto-optic Kerr effect magnetometer. The occupied and unoccupied electronic band dispersions and critical point energies are determined with photoemission and inverse photoemission measurements. These measurements are used as eigenvalues for an empirical combined interpolation scheme bandstructure calculation of the energy bands along the fcc(001) surface normal. Results are presented for Cu(001), Ni(001), Co(001), and paramagnetic Fe(001). Changes in the unoccupied electronic states in the ultrathin film limit are determined for Co and Fe films on Cu(111). The Co films exhibit a bulk-like electronic structure similar to hcp Co(0001) down to films one atomic layer thick. The low-spin ferromagnetic phase of fcc Fe is produced on Cu(111) for films below 5 atomic layers thick. Above this thickness, the Fe films revert to a bulk-like bcc(110) phase. The development of the electronic structure is measured for ultrathin Cu films grown on a specially prepared fcc Co(001) substrate. The Cu 3d band is significantly narrowed for films 1 atomic layer thick and bulk-like for films 3 atomic layers thick (one fcc unit cell). The s, p band exhibits quantum-well states due to the discretization of reciprocal space in the direction perpendicular to the film surface. These quantum-well states are

  3. 13C NMR and XPS characterization of anion adsorbent with quaternary ammonium groups prepared from rice straw, corn stalk and sugarcane bagasse

    NASA Astrophysics Data System (ADS)

    Cao, Wei; Wang, Zhenqian; Zeng, Qingling; Shen, Chunhua

    2016-12-01

    Despite amino groups modified crop straw has been intensively studied as new and low-cost adsorbent for removal of anionic species from water, there is still a lack of clear characterization for amino groups, especially quaternary ammonium groups in the surface of crop straw. In this study, we used 13C NMR and XPS technologies to characterize adsorbents with quaternary ammonium groups prepared from rice straw, corn stalk and sugarcane bagasse. 13C NMR spectra clearly showed the presence of quaternary ammonium groups in lignocelluloses structure of modified crop straw. The increase of nitrogen observed in XPS survey spectra also indicated the existence of quaternary ammonium group in the surface of the adsorbents. The curve fitting of high-resolution XPS N1s and C1s spectra were conducted to probe the composition of nitrogen and carbon contained groups, respectively. The results showed the proportion of quaternary ammonium group significantly increased in the prepared adsorbent's surface that was dominated by methyl/methylene, hydroxyl, quaternary ammonium, ether and carbonyl groups. This study proved that 13C NMR and XPS could be successfully utilized for characterization of quaternary ammonium modified crop straw adsorbents.

  4. ToF-SIMS and XPS study of ancient papers

    NASA Astrophysics Data System (ADS)

    Benetti, Francesca; Marchettini, Nadia; Atrei, Andrea

    2011-01-01

    The surface composition of 18th century papers was investigated by means of ToF-SIMS and XPS. The aim of the present study was to explore the possibility of using these surface sensitive methods to obtain information which can help to determine the manufacturing process, provenance and state of conservation of ancient papers. The ToF-SIMS results indicate that the analyzed papers were sized by gelatin and that alum was added as hardening agent. The paper sheets produced in near geographical areas but in different paper mills exhibit a similar surface composition and morphology of the fibers as shown by the ToF-SIMS measurements. The ToF-SIMS and the XPS results indicate that a significant fraction of the cellulose fibers is not covered by the gelatin layer. This was observed for the ancient papers and for a modern handmade paper manufactured according to the old recipes.

  5. Nonlocal Screening Effects on the Ni 2p Core Level Photoemission of the Linear-Chain Nickelate Y2BaNiO5

    NASA Astrophysics Data System (ADS)

    Okada, Kozo; Takeuchi, Yurika

    2017-06-01

    The Ni 2p X-ray photoemission spectrum (Ni 2p XPS) of the linear-chain nickelate Y2BaNiO5 is calculated by a Ni5O26 cluster model, adopting the numerically-exact diagonalization method based on the Lanczos algorithm. Particular attention is paid to how the Ni 2p core-hole charge is screened by the Ni 3d-O 2p valence electron system. The result shows that the leading d9L peak of the Ni 2p XPS has two components, as in the case of the Ni 2p XPS of NiO, where L denotes a ligand hole. The hole distribution analysis shows the importance of "nonlocal screening" that the Ni 3d holes apart from the core-hole site actively participate in the core-hole screening, and it also shows that the "local screening" is realized in the lowest-energy final state. The calculated spectrum of Y2BaNiO5 well reproduces that obtained experimentally.

  6. Evolution of the nanostructure of Pt and Pt-Co polymer electrolyte membrane fuel cell electrocatalysts at successive degradation stages probed by X-ray photoemission

    NASA Astrophysics Data System (ADS)

    Ali, Mushtaq; Witkowska, Agnieszka; Abbas, Mamatimin; Gunnella, Roberto; Di Cicco, Andrea

    2014-12-01

    We present a set of XPS (X-ray photoemission spectroscopy) measurements and detailed data-analysis of electrodes for polymer electrolyte membrane fuel cell (PEMFC) based on carbon supported catalysts (Pt and Pt-Co) subjected to a step-like potential cycling (accelerated degradation test). The results of the measurements complete and corroborate parallel TEM (transmission electron microscopy), XRD (X-ray diffraction) and XAS (X-ray absorption spectroscopy) results pointing at a modification of the nanostructure of the catalyst grains. The surface sensitivity of the XPS measurements is used to study the modification of the reactive surface structure of the nanoparticles and the interplay of reactivity and dissolution/precipitation/agglomeration of metal clusters during the catalyst work. The combination of XPS results with XRD, XAS and TEM ones allowed us to obtain a model for the structural changes in Pt-Co nanoparticles occurring during operation. The main structural modifications, in which predominantly Co atoms are involved, occur during the first hours of catalyst operation changing the stoichiometry and degree of disorder in external particles shell. In the last stages of the degradation process, core-shell particles structure, with ordered Pt4Co core and Pt-rich shell (and finally Pt-skin), is formed possibly explaining higher Pt-Co catalyst stability (structural and electrochemical) than pure Pt catalyst.

  7. pH dependence of uranyl retention in a quartz/solution system: an XPS study.

    PubMed

    Froideval, A; Del Nero, M; Barillon, R; Hommet, J; Mignot, G

    2003-10-15

    We have investigated the pH dependence of U(VI) retention in quartz/10(-4) M uranyl solution systems, under conditions favoring formation of polynuclear aqueous species and of colloids of amorphous schoepite as U(VI) solubility-limiting phases. X-ray photoelectron spectroscopy was used to gain insights into the coordination environments of sorbed/precipitated uranyl ions in the centrifuged quartz samples. The U4f XPS spectra made it possible to identify unambiguously the presence of two uranyl components. A high binding energy component, whose relative proportion increases with pH, exhibits the U4f lines characteristic of a reference synthetic metaschoepite. Such a high binding energy component is interpreted as a component having a U(VI) oxide hydrate character, either as polynuclear surface oligomers and/or as amorphous schoepite-like (surface) precipitates. Its pH dependence suggests that a binding of polynuclear species at quartz surfaces and/or a formation of amorphous schoepite-like (surface) precipitates is favored when the proportion of aqueous polynuclear species increases. A second surface component exhibits binding energies for the U4f core levels at values significantly lower (DeltaE(b)=1.2 eV) than for metaschoepite, evidencing uranyl ions in a distinct coordination environment. Such a low binding energy component may be attributed to monomeric uranyl surface complexes on the basis of published EXAFS data. Such a hypothesis is supported by a major contribution of the low binding energy component to the U4f XPS spectra of reference samples for uranyl sorbed on quartz from very acidic 10(-3) M uranyl solutions where UO(2)(2+) ions predominate.

  8. An XPS study of the iron surface promoted by potassium

    SciTech Connect

    Perov, V.M.

    1995-03-01

    The surface composition of a model iron-potassium catalytic system in oxidized and reduced states is studied by XPS. It is found that the potassium-to-oxygen atomic ratio for the surface of reduced samples is one. The distributions of elements in subsurface layers of the reduced system are determined by varying the detection angle of emitted electrons and by ion sputtering of the surface. It is shown that potassium and oxygen form a monolayer on the surface of iron crystallites.

  9. XPS investigations of tribofilms formed on CrN coatings

    NASA Astrophysics Data System (ADS)

    Mandrino, Djordje; Podgornik, Bojan

    2017-02-01

    Action of lubrication additives in the case of uncoated steel surfaces, including the type and mechanism of tribofilm formation is well known and understood. However, contact type of tribofilms which might form under the tribological contact between CrN coated surfaces, remains more or less unexplored. The aim of this investigation was to study the type of tribofilms formed on the CrN coated steel samples subjected to lubricated reciprocating sliding contact under different contact conditions Contact surface and tribofilms formed were studied by X-ray Photoelectron Spectroscopy (XPS). Sample surfaces were first imaged by Scanning Electron Microscopy (SEM) to determine areas of tribofilm formation as well as areas not affected by tribological contact. In these areas survey and high resolution (HR) XPS measurements were performed to obtain information about surface chemistry and oxidation states of the constituent elements. It was found that differences between different samples, observed by the XPS measurements, may reflect differences in chemistry of tribofilms formed under different contact conditions.

  10. Resonant photoemission study of multiferroic LuFe{sub 2}O{sub 4} across three-dimensional to two-dimensional charge ordering

    SciTech Connect

    Patankar, S.; Choudhary, R. J.; Phase, D. M.

    2015-04-27

    Electronic structures modification of polycrystalline LuFe{sub 2}O{sub 4} across 3 dimensional to 2 dimensional charge ordering (CO) has been studied by resonance photoemission spectroscopy. Constant-initial-state spectra measured across 3p → 3d resonance energy indicate its charge transfer insulating behavior. Valance band spectra study shows states lying closer to the Fermi level are due to Fe{sup 2+} ions. As the temperature is varied from 3D to 2D CO state, a weight transfer of DOS from low binding energy to higher binding energy is observed which is attributed to the modification in the Fe-O hybridized states.

  11. Characterization of induced nanoplasmonic fields in time-resolved photoemission: A classical trajectory approach applied to gold nanospheres

    NASA Astrophysics Data System (ADS)

    Saydanzad, Erfan; Li, Jianxiong; Thumm, Uwe

    2017-05-01

    Attosecond time-resolved spectroscopy has been shown to be a powerful method for examining the electronic dynamics in atoms, and this technique is now being transferred to the investigation of elastic and inelastic scattering during electron transport and collective electronic (plasmonic) effects in solids. By sampling over classical photoelectron trajectories, we simulated streaked photoelectron energy spectra as a function of the time delay between ionizing isolated attosecond extreme ultraviolet (XUV) pulses and assisting infrared or visible streaking laser pulses. Our calculations comprise a sequence of four steps: XUV excitation, electron transport in matter, escape from the surface, and propagation to the photoelectron detector. Based on numerical applications to gold nanospheres of 5- and 50-nm radius, we investigate streaked photoemission spectra with regard to (i) the nanoparticle's dielectric response to the electric field of the streaking laser pulse, (ii) relative contributions to photoelectron release from different locations on the surface and inside the nanoparticle, (iii) contributions of photoemission from the Fermi level only versus emission from the entire occupied conduction band, and (iv) their fidelity in imaging the spatiotemporal distribution of the induced plasmonic field near the particle's surface.

  12. Core-Level Photoemission Study for Undoped Cuprates with a Dynamical Mean-Field Approach Considering Realistic Crystal Structure

    NASA Astrophysics Data System (ADS)

    Hariki, Atsushi; Ichinozuka, Yoshiyuki; Uozumi, Takayuki

    2013-02-01

    The 2p3/2 main-line shape of Cu 2p X-ray photoemission spectra for undoped cuprates is studied by means of a dp model within a dynamical mean-field approximation. In order to consider the realistic CuO2 planar structure, we developed a framework combining an impurity Anderson model with a tight-binding calculation for the CuO2 plane. A characteristic partial density of states is obtained for a diagonally ordered antiferromagnetic phase. The calculated 2p3/2 main line shows a broad-band feature formed by screened final states with a hole in the O 2p band and by those accompanied by Zhang--Rice singlet formation. The strong relevance is emphasized between spectral shape and hybridization function which is self-consistently determined within the present framework. Qualitative agreement is also found with hard X-ray photoemission spectra observed for La2CuO4 and Nd2CuO4.

  13. Electron Dynamics at Dye-Semiconductor Interfaces probed with Picosecond Time-Resolved XPS

    NASA Astrophysics Data System (ADS)

    Neppl, Stefan; Shavorskiy, Andrey; Zegkinoglou, Ioannis; Fraund, Matthew; Salmeron, Miquel; Guo, Jinghua; Bluhm, Hendrik; Gessner, Oliver

    2014-05-01

    Picosecond time-resolved core-level spectroscopy using laser pulses to initiate and short X-ray pulses to probe photo-induced processes have the unique potential to provide electronic state- and atomic site-specific insight into fundamental electron dynamics in complex systems. Up to now, however, most of these experiments have concentrated on the electronic and structural dynamics in isolated or solvated molecules. Here we report preliminary results of a time-resolved X-ray photoelectron spectroscopy (TRXPS) study with the goal to follow the light-driven electron dynamics of N3 dye molecules adsorbed on a nano-structured ZnO semiconductor substrate - a technologically pertinent system for dye-sensitized solar cells - on the pico- to nanosecond time scale from the perspective of individual atomic sites at this complex interface. A distinct evolution of the molecular C1s photoemission line shape is observed as a function of time delay between a visible (532 nm) laser pump pulse (resonant with the N3 HOMO-LUMO gap) and the X-ray probe pulses. The observed changes in the C1s TRXPS spectra will be discussed in the context of possible charge recombination and relaxation processes leading to the neutralization of the transiently oxidized dye following ultrafast photo-induced electron injection.

  14. Angle-resolved photoemission and first-principles studies of topological thin films

    NASA Astrophysics Data System (ADS)

    Bian, Guang

    Topological insulators are electronic materials that have a bulk band gap like an ordinary insulator but have protected conducting states on their edge or surface. The exotic electronic properties of topological materials are of great interest for spin-related electronics and quantum computation. In this thesis research, the combination of angleresolved photoemission spectroscopy (ARPES) and first principles calculation is used to examine the electronic properties of topological thin films and 2D electronic systems with large spin-orbit splitting. The topological thin films are prepared in situ by molecular beam epitaxy (MBE) method and characterized by experimental tools such as reflection high-energy electron diffraction (RHEED) and low energy electron diffraction (LEED). The systems investigated in this thesis include topological Sb, Bi2Te3, Be2Se 3 thin films, Bi films, and Bi/Ag surface alloy. Topological Sb films have been successfully fabricated on Si(111) substrates. By examining the connection pattern between surface states and the quantum well bulk states, our photoemission spectra show clearly the topological order of the Sb films. When topological films become ultrathin, the quantum tunneling effect breaks the degeneracy at the Dirac point of the topological surface bands, resulting in a gap. Our ARPES mapping of the surface band structure of a 4-BL Sb film reveals no energy gap at the Dirac point. This lack of tunneling gap can be explained by a strong interfacial bonding between the film and the substrate. The topological order of topological materials is a robust quantity, but the topological surface states themselves can be highly sensitive to the boundary conditions. Specifically, the surface states of Bi2Se3 and Bi2Te3 form a single Dirac cone at the zone center. Our first-principles calculations based on a slab geometry show that, upon hydrogen termination of either face of the slab, the Dirac cone associated with this face is replaced by three

  15. a Study on SODIUM(110) and Other Nearly Free Electron Metals Using Angle Resolved Photoemission Spectroscopy.

    NASA Astrophysics Data System (ADS)

    Lyo, In-Whan

    Electronic properties of the epitaxially grown Na(110) film have been studied using angle resolved ultraviolet photoemission spectroscopy with synchrotron radiation as the light source. Na provides an ideal ground to study the fundamental aspects of the electron-electron interactions in metals, because of its simple Fermi surface and small pseudopotential. The absolute band structure of Na(110) using angle resolved photoemission spectroscopy has been mapped out using the extrema searching method. The advantage of this approach is that the usual assumption of the unoccupied state dispersion is not required. We have found that the dispersion of Na(1l0) is very close to the parabolic band with the effective mass 1.21 M_{rm e} at 90 K. Self-consistent calculations of the self-energy for the homogeneous electron gas have been performed using the Green's function technique within the framework of the GW approximation, in the hope of understanding the narrowing mechanism of the bandwidth observed for all the nearly-free-electron (NFE) metals. Good agreements between the experimental data and our calculated self-energy were obtained not only for our data on k-dependency from Na(l10), but also for the total bandwidth corrections for other NFE metals, only if dielectric functions beyond the random phase approximation were used. Our findings emphasize the importance of the screening by long wavelength plasmons. Off-normal spectra of angle resolved photoemission from Na(110) show strong asymmetry of the bulk peak intensity for the wide range of photon energies. Using a simple analysis, we show this asymmetry has an origin in the interference of the surface Umklapp electrons with the normal electrons. We have also performed the detailed experimental studies of the anomalous Fermi level structure observed in the forbidden gap region of Na. This was claimed by A. W. Overhauser as the evidence of the charge density wave in the alkali metal. The possibility of this hypothesis is

  16. Experimental Observation and Theoretical Description of the Pure Fano Effect in the Valence-Band Photoemission of Ferromagnets

    SciTech Connect

    Minar, J.; Ebert, H.; De Nadaie, C.; Brookes, N.B.; Venturini, F.; Ghiringhelli, G.; Chioncel, L.; Katsnelson, M. I.; Lichtenstein, A. I.

    2005-10-14

    The pure Fano effect in angle-integrated valence-band photoemission of ferromagnets has been observed for the first time. A contribution of the intrinsic spin polarization to the spin polarization of the photoelectrons has been avoided by an appropriate choice of the experimental parameters. The theoretical description of the resulting spectra reveals a complete analogy to the Fano effect observed before for paramagnetic transition metals. While the theoretical photocurrent and spin-difference spectra are found in good quantitative agreement with experiment in the case of Fe and Co, only a qualitative agreement could be achieved in the case of Ni by calculations on the basis of plain local spin-density approximation. Agreement with experimental data could be improved in this case in a very substantial way by a treatment of correlation effects on the basis of dynamical mean field theory.

  17. X-ray photoemission spectroscopy of nonmetallic materials: Electronic structures of boron and BxOy

    NASA Astrophysics Data System (ADS)

    Ong, C. W.; Huang, H.; Zheng, B.; Kwok, R. W. M.; Hui, Y. Y.; Lau, W. M.

    2004-04-01

    Although an increasing volume of x-ray photoemission spectroscopic (XPS) data has been accumulated on boron and boron-rich compounds because of their unusual properties, including a unique three-center, two-electron bonding configuration, their common nonmetallic nature has been overlooked. Typically, the measured energy-state data are not clarified by surface Fermi level positions of these nonmetallic samples, which compromises the scientific contents of the data. In the present study, we revisited the XPS studies of sputter-cleaned β-rhombohedral boron (βr-B), the oxidized surface of βr-B, B6O pellet, and polished B2O3, to illustrate the impact and resolution of this scientific issue. These samples were chosen because βr-B is the most thermodynamically stable polytype of pure boron, B2O3 is its fully oxidized form, and B6O is the best known superhard family member of boron-rich compounds. From our XPS measurements, including those from a sputter-cleaned gold as a metal reference, we deduced that our βr-B had a surface Fermi level located at 0.7±0.1 eV from its valence-band maximum (VBM) (referred as EFL) and a binding energy for its B 1s core level at 187.2 eV from VBM (Eb,VBM). The latter attribute, unlike typical XPS binding energy data that are referenced to a sample-dependent Fermi level (Eb,FL), is immune from any uncertainties and variations arising from sample doping and surface charging. For bulk B2O3, we found an Eb,VBM for its B 1s core level at 190.5 eV and an Eb,FL at 193.6 eV. For our βr-B subjected to a surface oxidation treatment, an overlayer structure of ˜1.2 nm B2O3/˜2 nm B2O/B was found. By comparing the data from this sample and those from βr-B and bulk B2O3, we infer that the oxide overlayer carried some negative fixed charge and this induced on the semiconducting βr-B sample an upward surface band bending of ˜0.6 eV. As for our B6O sample, we found an EFL of ˜1.7 eV and two different chemical states having Eb,VBM of 185.4 and

  18. Photoemission studies of high-tc superconductors: the superconducting gap.

    PubMed

    Shen, Z X; Spicer, W E; King, D M; Dessau, D S; Wells, B O

    1995-01-20

    Over the last several years there have been great improvements in the energy resolution and detection efficiency of angle-resolved photoemission spectroscopy. These improvements have made it possible to discover a number of fascinating features in the electronic structure of the high transition temperature (T(c)) superconductors: apparently bandlike Fermi surfaces, flat-band saddle points, and nested Fermi surface sections. Recent work suggests that these features, previously thought explainable only by one-electron band theory, may be better understood with a many-body approach. Furthermore, other properties of the high-T(c) superconductors, which are difficult to understand with band theory, are well described using a many-body picture. Angle-resolved photoemission spectroscopy has also been used to investigate the nature of the superconducting pairing state, revealing an anisotropic gap consistent with a d-wave order parameter and fueling the current debate over s-wave versus d-wave superconductivity.

  19. Soft X-ray photoemission studies of Hf oxidation

    SciTech Connect

    Suzer, S.; Sayan, S.; Banaszak Holl, M.M.; Garfunkel, E.; Hussain, Z.; Hamdan, N.M.

    2002-02-01

    Soft X-Ray Photoemission Spectroscopy using surface sensitive Synchrotron Radiation has been applied to accurately determine the binding energy shifts and the valence band offset of the HfO2 grown on Hf metal. Charging of oxide films under x-rays (or other irradiation) is circumvented by controlled and sequential in-situ oxidation. Photoemission results show the presence of metallic Hf (from the substrate) with the 4f7/2 binding energy of 14.22 eV, fully oxidized Hf (from HfO2) with the 4f7/2 binding energy of 18.16 eV, and at least one clear suboxide peak. The position of the valence band of HfO2 with respect to the Hf(m) Fermi level is determined as 4.05 eV.

  20. Photoemission from Ag, Cu, and CsI

    SciTech Connect

    Srinivasan-Rao, T.; Fischer, J.; Tsang, T.

    1992-06-01

    Photoemission characteristics of three different cathodes, CsI, Ag film and Cu were investigated. CsI, upon irradiation by 213 nm, 10ps laser pulse yields a quantum efficiency of 4% at O.2{mu}J input energy. The saturation mechanism observed at higher input energies require further investigation. Ag film, upon irradiation by 630 nm, 300 fs laser emit prompt photoelectrons after absorbing 2 photons. There was no evidence of optical damage of the film up to 10{sup 11} W/cm{sup 2}. At low intensities, photoemission from Cu is a simple {nu}-e{sup {minus}} interaction, the nonlinearity of the process depending strongly on trace impurities. At higher intensities, there appears to be a change in the emission mechanism.

  1. Laser angle-resolved photoemission as a probe of initial state kz dispersion, final-state band gaps, and spin texture of Dirac states in the Bi2Te3 topological insulator

    NASA Astrophysics Data System (ADS)

    Ä; rrälä, Minna; Hafiz, Hasnain; Mou, Daixiang; Wu, Yun; Jiang, Rui; Riedemann, Trevor; Lograsso, Thomas A.; Barbiellini, Bernardo; Kaminski, Adam; Bansil, Arun; Lindroos, Matti

    2016-10-01

    We have obtained angle-resolved photoemission spectroscopy (ARPES) spectra from single crystals of the topological insulator material Bi2Te3 using a tunable laser spectrometer. The spectra were collected for 11 different photon energies ranging from 5.57 to 6.70 eV for incident light polarized linearly along two different in-plane directions. Parallel first-principles, fully relativistic computations of photointensities were carried out using the experimental geometry within the framework of the one-step model of photoemission. A reasonable overall accord between theory and experiment is used to gain insight into how properties of the initial- and final-state band structures as well as those of the topological surface states and their spin textures are reflected in the laser-ARPES spectra. Our analysis reveals that laser-ARPES is sensitive to both the initial-state kz dispersion and the presence of delicate gaps in the final-state electronic spectrum.

  2. The behavior of f-levels in hcp and bcc rare-earth elements in the ground state and XPS and BIS spectroscopy from density-functional theory.

    PubMed

    Jarlborg, T

    2014-04-16

    The electronic structures of rare-earth elements in the hexagonal close-packed structure and Europium in the body-centered cubic structure are calculated using density-functional theory (DFT). X-ray photoemission spectroscopy (XPS) and bremsstrahlung isochromatic spectroscopy (BIS) simulations are made within DFT by implying that the f-electrons are excited by a large photon energy, either by removal from the occupied states in XPS or by addition to the unoccupied f-states in BIS. The results show sizable differences in the apparent position of the f-states compared to the f-band energy of the ground states. This result is fundamentally different from calculations assuming strong on-site correlation, since all the calculations are based on DFT. The spin-orbit coupling and multiplet splittings are not included, and the present simulation accounts for almost half of the difference between the f-level positions in the DFT ground states and the observed f-level positions. The electronic specific-heat at low T is compatible with the DFT ground state, where f-electrons often reside at the Fermi level.

  3. Photoemission resonance study of sintered and single-crystal Bi4Ca3Sr3Cu4O16+x

    NASA Astrophysics Data System (ADS)

    Tang, Ming; Chang, Y.; Zanoni, R.; Onellion, M.; Joynt, Robert; Huber, D. L.; Margaritondo, G.; Morris, P. A.; Bonner, W. A.; Tarascon, J. M.; Stoffel, N. G.

    1989-02-01

    We present soft x-ray photoemission spectra that probe the valence and core electronic structure of the high-Tc superconductor Bi4Ca3Sr3Cu4O16+x. The identification of spectral features was helped by the observation of the resonant behavior of a Cu-related satellite feature. The resonance occurs at photon energies near the Cu3p optical absorption edge, and affects a peak 12.5 eV below the Fermi edge. We identified this feature as a correlation satellite characteristic of Cu in the 2+ valence state. Other features observed in the spectra more than 7 eV below the Fermi edge are due to several different core levels. In particular, we observed a strong Bi5d doublet. Other core level peaks are due to the Sr4p and Ca3p orbitals, and to Bi, Sr and Ca s-orbitals. Within 7 eV of the Fermi edge, the spectra are dominated by valence states. The most important feature is the Bi4Ca3Sr3Cu4O16+x Fermi edge itself, which we observed for the first time on this, and whose existence was subsequently confirmed by several other groups. On the contrary, no edge was observed in the photoemission spectra of materials in the YBa2Cu3O7-x family. The observation of the Fermi edge has important implications for the theoretical interpretation of high-Tc superconductivity. Furthermore, it enabled us to see near-edge changes associated with the superconducting transition.

  4. A photoemission electron microscope investigation of chemical vapor deposition diamond films and diamond nucleation

    SciTech Connect

    Wang, C.

    1993-12-31

    CVD diamond nucleation is investigated using the hot filament technique. The stability of CVD diamond at elevated temperatures in vacuum, O{sub 2}, and atomic hydrogen environments are studied using photoemission electron microscopy (PEEM) combined with in-vacuo x-ray photoelectron spectroscopy (XPS). Dissolution, oxidation, and atomic hydrogen etching processes of CVD diamond are observed in real-time. Low field cold electron emission from CVD diamond films has been observed for the first time by PEEM. Nucleation density Mo substrates could be increased from 10{sup 4} to 10{sup 8}/cm{sup 2} by polishing. Heating the substrate to 870{degrees}C in vacuum prior to deposition, or above 1000{degrees}C at the beginning of deposition, reduced nucleation by more than 100-fold. Reduction in nucleation sites is attributed to annealing. Nucleation on Mo{sub 2}C substrates was found to be very poor (10{sup 4}/cm{sup 2}), which shows carbide alone does not promote nucleation. Carbide formation may remove nucleation sites. CVD diamond was found to dissolve into the Mo substrate in vacuum at about 1200{degrees}C. XPS showed formation of Mo{sub 2}C when the diamond dissolved. Diamond oxidation to gas phase products occurred directly at about 600{degrees}C, with no observable participation by the substrate. No detectable etching by atomic hydrogen at a pressure 1 {times} 10{sup {minus}4} torr was observed. Boron doped and `pure` CVD diamond films were found to emit electrons at room temperature under the action of the accelerating electric field of the PEEM (about 30 kV/cm) without photon excitation. The mechanism underlying this phenomenon was investigated with PEEM and by studying the emission current-vs-voltage characteristics of the CVD diamond films. Morphology and crystalline orientation were found to play only a minor role. Impurities in the CVD diamond structure lowers the potential barrier substantially; tunneling of electrons into the vacuum is facile.

  5. Photoemission Experiments for Charge Characteristics of Individual Dust Grains

    NASA Technical Reports Server (NTRS)

    Abbas, M. M.; Spann, James F., Jr.; Craven, Paul D.; West, E.; Pratico, Jared; Scheianu, D.; Tankosic, D.; Venturini, C. C.; Whitaker, Ann F. (Technical Monitor)

    2001-01-01

    Photoemission experiments with UV radiation have been performed to investigate the microphysics and charge characteristics of individual isolated dust grains of various compositions and sizes by using the electrodynamic balance facility at NASA Marshall Space Flight Center. Dust particles of 1 - 100 micrometer diameter are levitated in a vacuum chamber at pressures approx. 10(exp -5) torr and exposed to a collimated beam of UV radiation in the 120-300 nanometers spectral range from a deuterium lamp source with a MgF2 window. A monochromator is used to select the UV radiation wavelength with a spectral resolution of 8 nanometers. The electrodynamic facility permits measurements of the charge and diameters of particles of known composition, and monitoring of photoemission rates with the incident UV radiation. Experiments have been conducted on Al2O3 and silicate particles, and in particular on JSC-1 Mars regolith simulants, to determine the photoelectron yields and surface equilibrium potentials of dust particles when exposed to UV radiation in the 120-250 micrometers spectral range. A brief discussion of the experimental procedure, the results of photoemission experiments, and comparisons with theoretical models will be presented.

  6. Photoemission Experiments for Charge Characteristics of Individual Dust Grains

    NASA Technical Reports Server (NTRS)

    Abbas, M. M.; Craven, P. D.; Spann, J. F.; West, E.; Pratico, J.; Tankosic, D.; Venturini, C. C.; Six, N. Frank (Technical Monitor)

    2001-01-01

    Photoemission experiments with UV radiation have been performed to investigate the microphysics and charge characteristics of individual isolated dust grains of various compositions and sizes by using the electrodynamic balance facility at NASA Marshall Space Flight Center. Dust particles of 2-10 gm diameter are levitated in a vacuum chamber at pressures approximately 10(exp-5) torr and exposed to a collimated beam of UV radiation in the 120-200 nm spectral range from a deuterium lamp source with a MgF2 window. A monochromator is used to select the UV wavelength with a spectral resolution of 8 nm. The electrodynamic facility permits measurements of the charge and diameters of particles of known composition, and monitoring of photoemission rates with the incident UV radiation. Experiments have been conducted on test particles of silica and polystyrene to determine the photoelectric yields and surface equilibrium potentials when exposed to UV radiation. A brief description of an experimental procedure for photoemission studies is given and some preliminary laboratory measurements of the photoelectric yields of individual dust particles are presented.

  7. Bulk sensitive hard x-ray photoemission electron microscopy

    SciTech Connect

    Patt, M. Wiemann, C.; Weber, N.; Escher, M.; Merkel, M.; Gloskovskii, A.; Drube, W.; Schneider, C. M.

    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.

  8. Photoemission Experiments for Charge Characteristics of Individual Dust Grains

    NASA Technical Reports Server (NTRS)

    Abbas, M. M.; Craven, P. D.; Spann, J. F.; West, E.; Pratico, J.; Tankosic, D.; Venturini, C. C.; Six, N. Frank (Technical Monitor)

    2001-01-01

    Photoemission experiments with UV radiation have been performed to investigate the microphysics and charge characteristics of individual isolated dust grains of various compositions and sizes by using the electrodynamic balance facility at NASA Marshall Space Flight Center. Dust particles of 2-10 gm diameter are levitated in a vacuum chamber at pressures approximately 10(exp-5) torr and exposed to a collimated beam of UV radiation in the 120-200 nm spectral range from a deuterium lamp source with a MgF2 window. A monochromator is used to select the UV wavelength with a spectral resolution of 8 nm. The electrodynamic facility permits measurements of the charge and diameters of particles of known composition, and monitoring of photoemission rates with the incident UV radiation. Experiments have been conducted on test particles of silica and polystyrene to determine the photoelectric yields and surface equilibrium potentials when exposed to UV radiation. A brief description of an experimental procedure for photoemission studies is given and some preliminary laboratory measurements of the photoelectric yields of individual dust particles are presented.

  9. Photoemission Experiments for Charge Characteristics of Individual Dust Grains

    NASA Technical Reports Server (NTRS)

    Abbas, M. M.; Spann, James F., Jr.; Craven, Paul D.; West, E.; Pratico, Jared; Scheianu, D.; Tankosic, D.; Venturini, C. C.; Whitaker, Ann F. (Technical Monitor)

    2001-01-01

    Photoemission experiments with UV radiation have been performed to investigate the microphysics and charge characteristics of individual isolated dust grains of various compositions and sizes by using the electrodynamic balance facility at NASA Marshall Space Flight Center. Dust particles of 1 - 100 micrometer diameter are levitated in a vacuum chamber at pressures approx. 10(exp -5) torr and exposed to a collimated beam of UV radiation in the 120-300 nanometers spectral range from a deuterium lamp source with a MgF2 window. A monochromator is used to select the UV radiation wavelength with a spectral resolution of 8 nanometers. The electrodynamic facility permits measurements of the charge and diameters of particles of known composition, and monitoring of photoemission rates with the incident UV radiation. Experiments have been conducted on Al2O3 and silicate particles, and in particular on JSC-1 Mars regolith simulants, to determine the photoelectron yields and surface equilibrium potentials of dust particles when exposed to UV radiation in the 120-250 micrometers spectral range. A brief discussion of the experimental procedure, the results of photoemission experiments, and comparisons with theoretical models will be presented.

  10. Use of XPS to clarify the Hall coefficient sign variation in thin niobium layers buried in silicon

    NASA Astrophysics Data System (ADS)

    Demchenko, Iraida N.; Lisowski, Wojciech; Syryanyy, Yevgen; Melikhov, Yevgen; Zaytseva, Iryna; Konstantynov, Pavlo; Chernyshova, Maryna; Cieplak, Marta Z.

    2017-03-01

    Si/Nb/Si trilayers formed with 9.5 and 1.3 nm thick niobium layer buried in amorphous silicon were prepared by magnetron sputtering and studied using XPS depth-profile techniques in order to investigate the change of Hall coefficient sign with thickness. The analysis of high-resolution (HR) XPS spectra revealed that the thicker layer sample has sharp top interface and metallic phase of niobium, thus holes dominate the transport. In contrast, the analysis indicates that the thinner layer sample has a Nb-rich mixed alloy formation at the top interface. The authors suggest that the main effect leading to a change of sign of the Hall coefficient for the thinner layer sample (which is negative contrary to the positive sign for the thicker layer sample) may be related to strong boundary scattering enhanced by the presence of silicon ions in the layer close to the interface/s. The depth-profile reconstruction was performed by SESSA software tool confirming that it can be reliably used for quantitative analysis/interpretation of experimental XPS data.

  11. Effects of the low Earth orbit space environment on the surface chemistry of Kapton polyimide film: An XPS study

    NASA Technical Reports Server (NTRS)

    Lee, Myung; Rooney, William; Whiteside, James

    1992-01-01

    Kapton H (DuPont Trademark) polyimide specimens exposed to the low earth (LEO) space environment suffered significant weathering with surface erosions of approximately 8.0 microns. Despite these effects, no significant changes in bulk chemistry were observed. X-ray photoelectron spectroscopy (XPS) was used to determine local changes induced from approximately 25 percent in 1980 vintage ground control specimens to nearly 53 percent in space exposed specimens. The greatest increase was observed for the divalent oxygen moieties, although a slight increase in carbonyl oxygen was also measured. Furthermore, the chemical shifts of all XPS peaks of space-exposed Kapton are shifted to higher energy. This is consistent with a higher oxidation state of the space exposed surface. Finally, space exposed specimens had distinct silicon peaks (2p 100 eV and 2s 149 eV) in their XPS spectra in agreement with widespread reports of silicon contamination throughout the LDEF satellite. These results are discussed in terms of surface reactivity of the polyimide exposed to the LEO environment and the chemical nature of contaminants deposited on flight surfaces due to satellite outgassing.

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

    NASA Astrophysics Data System (ADS)

    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

  13. Alkene/diamond liquid/solid interface characterization using internal photoemission spectroscopy.

    PubMed

    Nebel, C E; Shin, D; Takeuchi, D; Yamamoto, T; Watanabe, H; Nakamura, T

    2006-06-20

    The photochemical attachment of 10-amino-dec-1-ene molecules protected with a trifluoroacetic acid group (TFAAD) on hydrogen-terminated single-crystalline chemical vapor deposited (CVD) diamond is characterized by total photoyield spectroscopy (TPYS), conductivity, Hall-effect, spectrally resolved photoconductivity (SPC), optical transmission experiments, and, for the first time, by in situ internal photoemission (IPE) spectroscopy applied in the spectral regime from 4 to 6 eV on the alkene/diamond (liquid/solid) heterostructures. These experiments are performed on undoped, (100) oriented, single-crystalline CVD diamond films, which contain no grain boundaries and have negligible bulk and surface defect densities. X-ray photoelectron spectroscopy (XPS) is used to investigate the chemical bonding of alkene molecules to diamond. The spectroscopic set of data shows that the photochemical reaction window of H-terminated diamond is shifted below the optical gap of diamond because of the negative electron affinity. In situ IPE experiments reveal electron emission between 4.5 and 5.2 eV. A model is introduced and discussed in which valence-band electrons are optically excited into empty hydrogen-induced surface states of diamond from where they tunnel into empty pi states of alkene molecules. We theoretically discuss the fastest attachment time to achieve a saturated TFAAD layer of about 2 x 10(14) cm(-)(2) on diamond, which is experimentally detected to be 7 h. In the case of direct optical electron excitations from diamond, the bonding efficiency will be one TFAAD molecule attachment arising from about 1600 emitted electrons.

  14. Application of Koopmans' theorem for density functional theory to full valence-band photoemission spectroscopy modeling.

    PubMed

    Li, Tsung-Lung; Lu, Wen-Cai

    2015-10-05

    In this work, Koopmans' theorem for Kohn-Sham density functional theory (KS-DFT) is applied to the photoemission spectra (PES) modeling over the entire valence-band. To examine the validity of this application, a PES modeling scheme is developed to facilitate a full valence-band comparison of theoretical PES spectra with experiments. The PES model incorporates the variations of electron ionization cross-sections over atomic orbitals and a linear dispersion of spectral broadening widths. KS-DFT simulations of pristine rubrene (5,6,11,12-tetraphenyltetracene) and potassium-rubrene complex are performed, and the simulation results are used as the input to the PES models. Two conclusions are reached. First, decompositions of the theoretical total spectra show that the dissociated electron of the potassium mainly remains on the backbone and has little effect on the electronic structures of phenyl side groups. This and other electronic-structure results deduced from the spectral decompositions have been qualitatively obtained with the anionic approximation to potassium-rubrene complexes. The qualitative validity of the anionic approximation is thus verified. Second, comparison of the theoretical PES with the experiments shows that the full-scale simulations combined with the PES modeling methods greatly enhance the agreement on spectral shapes over the anionic approximation. This agreement of the theoretical PES spectra with the experiments over the full valence-band can be regarded, to some extent, as a collective validation of the application of Koopmans' theorem for KS-DFT to valence-band PES, at least, for this hydrocarbon and its alkali-adsorbed complex.

  15. Applications Performance on NAS Intel Paragon XP/S - 15#

    NASA Technical Reports Server (NTRS)

    Saini, Subhash; Simon, Horst D.; Copper, D. M. (Technical Monitor)

    1994-01-01

    The Numerical Aerodynamic Simulation (NAS) Systems Division received an Intel Touchstone Sigma prototype model Paragon XP/S- 15 in February, 1993. The i860 XP microprocessor with an integrated floating point unit and operating in dual -instruction mode gives peak performance of 75 million floating point operations (NIFLOPS) per second for 64 bit floating point arithmetic. It is used in the Paragon XP/S-15 which has been installed at NAS, NASA Ames Research Center. The NAS Paragon has 208 nodes and its peak performance is 15.6 GFLOPS. Here, we will report on early experience using the Paragon XP/S- 15. We have tested its performance using both kernels and applications of interest to NAS. We have measured the performance of BLAS 1, 2 and 3 both assembly-coded and Fortran coded on NAS Paragon XP/S- 15. Furthermore, we have investigated the performance of a single node one-dimensional FFT, a distributed two-dimensional FFT and a distributed three-dimensional FFT Finally, we measured the performance of NAS Parallel Benchmarks (NPB) on the Paragon and compare it with the performance obtained on other highly parallel machines, such as CM-5, CRAY T3D, IBM SP I, etc. In particular, we investigated the following issues, which can strongly affect the performance of the Paragon: a. Impact of the operating system: Intel currently uses as a default an operating system OSF/1 AD from the Open Software Foundation. The paging of Open Software Foundation (OSF) server at 22 MB to make more memory available for the application degrades the performance. We found that when the limit of 26 NIB per node out of 32 MB available is reached, the application is paged out of main memory using virtual memory. When the application starts paging, the performance is considerably reduced. We found that dynamic memory allocation can help applications performance under certain circumstances. b. Impact of data cache on the i860/XP: We measured the performance of the BLAS both assembly coded and Fortran

  16. The application of XPS to the study of MIC

    SciTech Connect

    Kearns, J.R. . Technical Center); Clayton, C.R.; Halada, G.P. . Dept. of Materials Science); Gillow, J.B.; Francis, A.J. )

    1992-01-01

    The biotic and abiotic factors that contribute to Microbiologically Influenced Corrosion (MIC) involve the transformation of chemical species at a metal surface. X-ray Photoelectron Spectroscopy (XPS) is utilized in conjunction with conventional microbiological and Quantitative Chemical Analytical techniques to better understand the effect of environmental conditions on microbial behavior as well as the ability of bacteria to alter local environmental conditions. Specifically, the interaction of Fe, Cr, Ni, Mo ions with Desulfovibrio sp. under anoxic conditions were studied. This is the first phase of a systematic study of microbial activity and the effects of alloy elements and thermo-mechanical treatments on the MIC resistance of stainless steels.

  17. Simultaneous Use Of Zr And Mg Anodes In XPS

    NASA Technical Reports Server (NTRS)

    Allgeyer, D. F.; Pratz, E. H.

    1996-01-01

    Improved x-ray source for x-ray photoelectron spectroscopy (XPS) contains both zirconium anode with beryllium window and magnesium anode with aluminum window. Previously unresolvable peaks of electron-energy spectrum become resolvable. Developed specifically for use in analyzing distributions of chemical constituents in surface layers of specimens of 2219 aluminum alloy and in determining the depths of surface oxide layers and relative proportions of aluminum and oxide in layers. Also used to study chemical constituents of surface layers in other material systems - for example, thin oxide films on silicon-based semiconductor devices, oxide films on alloys, and surface layers affecting adhesion of paints or bonding materials.

  18. Synchrotron radiation photoemission study of the ultrathin Cs/InN interface

    NASA Astrophysics Data System (ADS)

    Benemanskaya, G. V.; Lapushkin, M. N.; Timoshnev, S. N.; Nelubov, A. V.

    2015-09-01

    Electronic structure of the ultrathin Cs/n-InN interface has been studied in situ via synchrotron-based photoemission spectroscopy by excitation in the energy range of 70-400 eV. Changes in the In 4d, Cs 4d, Cs 5p, N 2s core level spectra and in the surface state spectra have been revealed under different cesium coverages. The intrinsic surface state for the clean InN surface at binding energy of 2.5 eV (SS1) is found to attenuate during the Cs adsorption. Simultaneously the Cs induced surface state at binding energy of 0.9 eV (SS2) arises. For the Cs/InN interface, the In 4d peak displays the strong core level shift and the appearance of an additional In 4d peak originated from In-Cs interface bonding. Change in the surface electronic structure of the InN caused by Cs adsorption is found to originate predominantly from suppression of the intrinsic surface state concerned with the local interaction of In dangling bonds and Cs adatoms.

  19. Surface-barrier and polarization effects in the photoemission from GaAs(110)

    NASA Astrophysics Data System (ADS)

    Henk, J.; Schattke, W.; Cartensen, H.; Manzke, R.; Skibowski, M.

    1993-01-01

    We have developed a theory of photoemission from III-V compound semiconductors within the one-step model and discuss the effect of transition-matrix elements, final states, and the surface barrier on the energy distribution of photoelectrons. As a prototype the (110) surface of GaAs is studied, and theoretical spectra are compared with experiment in normal as well as in non-normal emission. The specific position of the interface vacuum crystal, appearing in the calculation of the transition-matrix elements, influences the shape of the spectra considerably. The energy-distribution curves strongly depend on the escape angles of the photoelectrons as well as the incidence angles of the radiation leading to significant intensity variations especially of the dangling-bond surface state. Band-mapping methods prove to be misleading, in the worst cases by an error of about 100 meV in the estimation of the valence-band energies. The corrugated surface barrier is also investigated; our analysis favors a smooth saturated image potential barrier.

  20. Evidence of the nature of core-level photoemission satellites using angle-resolved photoemission extended fine structure

    SciTech Connect

    Moler, E.J.; Kellar, S.A.; Huff, W.R.A.

    1997-04-01

    The authors present a unique method of experimentally determining the angular momentum and intrinsic/extrinsic origin of core-level photoemission satellites by examining the satellite diffraction pattern in the Angle Resolved Photoemission Extended Fine Structure (ARPEFS) mode. They show for the first time that satellite peaks not associated with chemically differentiated atomic species display an ARPEFS intensity oscillation. They present ARPEFS data for the carbon 1s from ({radical}3x{radical}3)R30 CO/Cu(111) and p2mg(2xl)CO/Ni(110), nitrogen 1s from c(2x2) N{sub 2}/Ni(100), cobalt 1s from p(1x1)Co/Cu(100), and nickel 3p from clean nickel (111). The satellite peaks and tails of the Doniach-Sunjic line shapes in all cases exhibit ARPEFS curves which indicate an angular momentum identical to the main peak and are of an intrinsic nature.

  1. Inequality spectra

    NASA Astrophysics Data System (ADS)

    Eliazar, Iddo

    2017-03-01

    Inequality indices are widely applied in economics and in the social sciences as quantitative measures of the socioeconomic inequality of human societies. The application of inequality indices extends to size-distributions at large, where these indices can be used as general gauges of statistical heterogeneity. Moreover, as inequality indices are plentiful, arrays of such indices facilitate high-detail quantification of statistical heterogeneity. In this paper we elevate from arrays of inequality indices to inequality spectra: continuums of inequality indices that are parameterized by a single control parameter. We present a general methodology of constructing Lorenz-based inequality spectra, apply the general methodology to establish four sets of inequality spectra, investigate the properties of these sets, and show how these sets generalize known inequality gauges such as: the Gini index, the extended Gini index, the Rényi index, and hill curves.

  2. Time- and angle-resolved photoemission spectroscopy of hydrated electrons near a liquid water surface.

    PubMed

    Yamamoto, Yo-ichi; Suzuki, Yoshi-Ichi; Tomasello, Gaia; Horio, Takuya; Karashima, Shutaro; Mitríc, Roland; Suzuki, Toshinori

    2014-05-09

    We present time- and angle-resolved photoemission spectroscopy of trapped electrons near liquid surfaces. Photoemission from the ground state of a hydrated electron at 260 nm is found to be isotropic, while anisotropic photoemission is observed for the excited states of 1,4-diazabicyclo[2,2,2]octane and I- in aqueous solutions. Our results indicate that surface and subsurface species create hydrated electrons in the bulk side. No signature of a surface-bound electron has been observed.

  3. An investigation of resonant photoemission in Gd with x-ray linear dichroism

    SciTech Connect

    Tobin, J G

    1998-07-01

    The constructive summing of direct and indirect channels above the absorption threshold of a core level can cause a massive increase in the emission cross section, leading to a phenomenon called "resonant photoemission". Using novel magnetic linear dichroism in angular distribution photoelectron spectroscopy experiments and theoretical simulations, we have probed the nature of the resonant photoemission process in Gd metal. It now appears that temporal matching as well as energy matching is a requirement for true resonant photoemission.

  4. Te concentration dependent photoemission and inverse-photoemission study of FeSe1−xTex

    PubMed Central

    Yokoya, Takayoshi; Yoshida, Rikiya; Utsumi, Yuki; Tsubota, Koji; Okazaki, Hiroyuki; Wakita, Takanori; Mizuguchi, Yoshikazu; Takano, Yoshihiko; Muro, Takayuki; Kato, Yukako; Kumigashira, Hiroshi; Oshima, Masaharu; Harima, Hisatomo; Aiura, Yoshihiro; Sato, Hitoshi; Ino, Akihiro; Namatame, Hirofumi; Taniguchi, Masaki; Hirai, Masaaki; Muraoka, Yuji

    2012-01-01

    We have characterized the electronic structure of FeSe1−xTex for various x values using soft x-ray photoemission spectroscopy (SXPES), high-resolution photoemission spectroscopy (HRPES) and inverse photoemission spectroscopy (IPES). The SXPES valence band spectral shape shows that the 2 eV feature in FeSe, which was ascribed to the lower Hubbard band in previous theoretical studies, becomes less prominent with increasing x. HRPES exhibits systematic x dependence of the structure near the Fermi level (EF): its splitting near EF and filling of the pseudogap in FeSe. IPES shows two features, near EF and approximately 6 eV above EF; the former may be related to the Fe 3d states hybridized with chalcogenide p states, while the latter may consist of plane-wave-like and Se d components. In the incident electron energy dependence of IPES, the density of states near EF for FeSe and FeTe has the Fano lineshape characteristic of resonant behavior. These compounds exhibit different resonance profiles, which may reflect the differences in their electronic structures. By combining the PES and IPES data the on-site Coulomb energy was estimated at 3.5 eV for FeSe. PMID:27877521

  5. Laser-assisted photoemission from adsorbate-covered metal surfaces: Time-resolved core-hole relaxation dynamics from sideband profiles

    NASA Astrophysics Data System (ADS)

    Zhang, C.-H.; Thumm, U.

    2009-09-01

    Illumination of an adsorbate-covered metal surface with an xuv and a delayed ir laser pulse can result in sidebands in the photoelectron (PE) spectra. We present a theoretical model for the delay-dependent PE spectra and show how the relaxation dynamics of xuv-induced core-level holes in adsorbate atoms can be deduced from the temporal shift between sideband peaks in the spectra of secondary adsorbate (Auger) electrons and conduction-band PEs from the substrate. Furthermore, in comparison with gaseous targets, we find a characteristic sideband-intensity enhancement in the laser-assisted photoemission from the substrate core-level bands. This sideband enhancement effect can be tested in experiments with tunable xuv wavelength. Our calculated PE spectra support time-resolved experiments for Xe-covered Pt(111) surfaces, promoting the direct analysis in the time domain of surface dynamical processes.

  6. Copper Bronze Powder Surface Studied by XPS and HR SEM

    NASA Astrophysics Data System (ADS)

    Shvab, R.; Hryha, E.; Tahir, A. M.; Nyborg, L.

    2016-10-01

    The state of the powder surface represents one of the main interests in the whole cycle of components' production using powder metallurgy (PM) route. Large specific surface area of the powder in combination with often alloying with oxygen sensitive elements results in oxidation of the powder surface in most of the cases. The information about surface chemistry of the powder is of vital importance for further consolidation and sintering steps. Surface sensitive analytical techniques - X-ray photoelectron spectroscopy (XPS) and high-resolution scanning electron microscopy combined with energy dispersive X-ray analysis (HR SEM+EDX) were used for surface chemical analysis of the 60Cu-40Sn bronze powder. Determination of the compositional profiles and estimation of the surface oxide layer thickness was done by altering of ion etching and XPS analysis. The results showed tin oxide enrichment and presence of copper hydroxide on the surface of the powder particles. The impurities of P, Zn and Ca were also detected on the top surface of the powder in trace amounts.

  7. Quantitative XPS analysis of silica-supported Cu Co oxides

    NASA Astrophysics Data System (ADS)

    Cesar, Deborah V.; Peréz, Carlos A.; Schmal, Martin; Salim, Vera Maria M.

    2000-04-01

    Copper-cobalt oxides with Cu/Co=5:5, 15:15 and 35:35 bulk ratio have been prepared by deposition-precipitation method at constant pH from copper and cobalt nitrate solutions. Different oxides were obtained by decomposition of the precursors at 673 K for 7 h in air and analyzed by X-ray diffraction (XRD), transmission electron microscopy (TEM) and X-ray photoelectron spectroscopy (XPS). XRD data showed the formation of different oxide phases; for the bulk atomic ratio of 15Cu:15Co, a phase containing Cu and Co with spinel-like structure was observed, while the other bimetallic oxides presented CuO and Co 3O 4 as distinct phases. The XPS qualitative analysis has shown that all samples exhibited Cu 2+ and Co 3+ species at the surface. The Cu-Co spinel presented a displacement in Cu 2p binding energy value. A mathematical model was proposed from relative intensity ratios, which allowed the determination of the oxide particle thickness and the fraction of coverage at the support. This model described accurately the system and showed that cobalt improved the copper dispersion.

  8. Data warehousing features in Informix OnLine XPS

    SciTech Connect

    Sundaresan, P.

    1996-12-31

    The Data Warehousing application domain is an important area of focus for Informix`s OnLine XPS massively parallel server. Fast query processing is a central requirement in this domain. Use of indexes has traditionally been an important query processing technique, helping to reduce response times and increase throughput. The data warehousing environment, characterized by its load-query-refresh mode of operation, offers even greater scope for use of indexes. This talk will describe three new indexing related features in OnLine XPS which together provide significant performance benefits in a wide variety of situations. Bitmap indexes, along with multi-index scans, provide orders-of-magnitude improvement for queries typified by the Set Query Benchmark. Pushdown Semi-joins combine the benefits of multi-index scans with the scalability of hash joins to efficiently process star-joins. Finally, Generalized-key indexes expand the notion of what can be an index key and provide the ability to store various pre-computed results in an index. Optimizer extensions allow these features to be used in a mix-n-match fashion, thus maximizing the benefits of these features while minimizing the need for user level directives.

  9. Potential for carbon adsorption on concrete: surface XPS analyses.

    PubMed

    Haselbach, Liv M; Ma, Shuguo

    2008-07-15

    The concrete industry is a contributor to the global carbon cycle particularly with respect to the contribution of carbon dioxide in the manufacturing of cement (calcination). The reverse reaction of carbonation is known to occur in concrete, but is usually limited to exterior surfaces exposed to carbon dioxide and humidity in the air. As alternate concrete uses expand which have more surface area, such as crushed concrete for recycling, it is important to understand surface adsorption of carbon dioxide and the positive impacts it might have on the carbon cycle. X-ray photoelectron spectroscopy (XPS) is used in this study to evaluate carbon species on hydrated cement mortar surfaces. Initial estimates for carbon absorption in concrete using othertechniques predictthe potential for carbonate species to be a fraction of the calcination stoichiometric equivalent The XPS results indicate that there is a rapid and substantial uptake of carbon dioxide on the surfaces of these mortars, sometimes exceeding the calcination stoichiometric equivalents, indicative of carbon dioxide surface complexation species. On pure calcite, the excess is on the order of 30%. This accelerated carbon dioxide surface adsorption phenomenon may be importantfor determining novel and effective carbon sequestration processes using recycled concrete.

  10. [Analysis of XPS in the removal of Se(IV) from groundwater with pyrite].

    PubMed

    Liu, Hong-fang; Qian, Tian-wei; Zhang, Min-gang

    2015-02-01

    Selenium (Se) is an elementary trace nutrient element for human but there is a very narrow range between deficit and toxic levels. Furthermore, excessive intake of Selenium is harmful for human. The product species of selenite which was removal by pyrite particles was studied in the present research In the experiments, the pyrite particles were prepared by the wet ball mill method, and surface analyses of pyrite before and after contact with Se(IV) were conducted using X-ray photoelectron spectroscopy (XPS). Besides, the prepared pyrite samples were also characterized using both X-ray diffraction (XRD) and scanning electron microscope (SEM). X-ray diffraction analysis indicated that the purity of the prepared pyrite particles was above 97%, and the characteristic diffraction peaks of the particles well matched with that of FeS2 crystalline. Scanning electron microscope determination showed the shape of the particles was approximate ball and the size was range from 80 to 180 nm. And thus the pyrite particles prepared by the wet ball mill method had less particle size, larger specific surface area and higher reactive ability. The batch experiments exhibited the pyrite particles were able to remove 95% of Se(IV) (20 mg x L(-1)) from water within 12 hours. And the kinetic tests indicated reaction process between pyrite and Se(IV) fits a pseudo-first order kinetic model, which gives a pseudo-first order rate constant(kobs) of 0.26 h(-1). XPS analyses were using the XPSPEAK program which has a Gaussian Lorentzian function. The results clearly displays that Se(IV) prefer to react with the surface-bound S2(2-) rather than reacted with the surface-bound Fe2+ of pyrite particles. From XPS graph, it can be seen that the binding energy of sulfur element and iron element composed of pyrite shifted to the left a little, which means expensive state of sulfur element and iron element appeared on the pyrite surface. Analysis of the oxidation state of Se on the surface of pyrite

  11. XPS valence characterization of lithium salts as a tool to study electrode/electrolyte interfaces of Li-ion batteries.

    PubMed

    Dedryvère, R; Leroy, S; Martinez, H; Blanchard, F; Lemordant, D; Gonbeau, D

    2006-07-06

    X-ray photoelectron valence spectra of lithium salts LiBF4, LiPF6, LiTFSI, and LiBETI have been recorded and analyzed by means of density functional theory (DFT) calculations, with good agreement between experimental and calculated spectra. The results of this study are used to characterize electrode/electrolyte interfaces of graphite negative electrodes in Li-ion batteries using organic carbonate electrolytes containing LiTFSI or LiBETI salts. By a combined X-ray photoelectron spectroscopy (XPS) core peaks/valence analysis, we identify the main constituents of the interface. Differences in the surface layers' composition can be evidenced, depending on whether LiTFSI or LiBETI is used as the lithium salt.

  12. Measurements of Schottky barrier at the low-k SiOC:H/Cu interface using vacuum ultraviolet photoemission spectroscopy

    SciTech Connect

    Guo, X.; Pei, D.; Zheng, H.; Shohet, J. L.; King, S. W.; Lin, Y.-H.; Fung, H.-S.; Chen, C.-C.; Nishi, Y.

    2015-12-07

    The band alignment between copper interconnects and their low-k interlayer dielectrics is critical to understanding the fundamental mechanisms involved in electrical leakage in low-k/Cu interconnects. In this work, vacuum-ultraviolet (VUV) photoemission spectroscopy is utilized to determine the potential of the Schottky barrier present at low-k a-SiOC:H/Cu interfaces. By examining the photoemission spectra before and after VUV exposure of a low-k a-SiOC:H (k = 3.3) thin film fabricated by plasma-enhanced chemical-vapor deposition on a polished Cu substrate, it was found that photons with energies of 4.9 eV or greater can deplete accumulated charge in a-SiOC:H films, while VUV photons with energies of 4.7 eV or less, did not have this effect. These critical values were identified to relate the electric potential of the interface barrier between the a-SiOC:H and the Cu layers. Using this method, the Schottky barrier at the low-k a-SiOC:H (k = 3.3)/Cu interface was determined to be 4.8 ± 0.1 eV.

  13. Ultraviolet photoelectron spectra of C 76 and K xC 76

    NASA Astrophysics Data System (ADS)

    Hino, Shojun; Matsumoto, K.; Hasegawa, Shinji; Inokuchi, Hiroo; Morikawa, Takashi; Takahashi, Takashi; Seki, Kazuhiko; Kikuchi, Koichi; Suzuki, Shinzo; Ikemoto, Isao; Achiba, Yohji

    1992-09-01

    Ultraviolet photoelectron spectra of C 76, one of the fullerene family of compounds, have been measured with a synchroton radiation light source. The photoemission spectral onset is 1.3 eV below the Fermi level, which is equal to that of C 84 but is about 0.5 eV smaller than that of C 60 or C 70. The relative intensity of the photoemission spectral features is independent of the incident photon energy change. Photoemission spectral changes for C 76 during potassium dosing are also measured. A new band becomes distinct between the Fermi level and the HOMO band, when the potassium content ( x in K xC 76) is equal to or greater than 1.1. The spectral onset moves toward the Fermi level with increasing potassium dosage, approaching it but never crossing it. This indicates that potassium-dosed C 76 could be a narrow gap semiconductor.

  14. Secondary electron measurement and XPS characterization of NEG coatings

    SciTech Connect

    Sharma, R. K. Sinha, Atul K. Gupta, Nidhi Nuwad, J. Jagannath, Gadkari, S. C. Singh, M. R. Gupta, S. K.

    2014-04-24

    Ternary alloy coatings of IVB and VB materials provide many of benefits over traditional material surfaces such as creation of extreme high vacuum(XHV), lower secondary electron yield(SEY), low photon desorption coefficient. XHV (pressure < 10{sup −10} mbar) is very useful to the study of surfaces of the material in as it is form, high energy particle accelerators(LHC, Photon Factories), synchrotrons (ESRF, Ellectra) etc.. Low secondary electron yield leads to very low multi-pacting utilizes to increase beam life time. In this paper preparation of the coatings and a study of secondary electron yield measurement after heating at different temperatures has been shown also results of their surface characterization based on shift in binding energy has been produced using the surface techniques XPS. Stoichiometry of the film was measured by Energy dispersive x-ray analysis (EDX)

  15. Silicon (100)/SiO2 by XPS

    SciTech Connect

    Jensen, David S.; Kanyal, Supriya S.; Madaan, Nitesh; Vail, Michael A.; Dadson, Andrew; Engelhard, Mark H.; Linford, Matthew R.

    2013-09-25

    Silicon (100) wafers are ubiquitous in microfabrication and, accordingly, their surface characteristics are important. Herein, we report the analysis of Si (100) via X-ray photoelectron spectroscopy (XPS) using monochromatic Al K radiation. Survey scans show that the material is primarily silicon and oxygen, and the Si 2p region shows two peaks that correspond to elemental silicon and silicon dioxide. Using these peaks the thickness of the native oxide (SiO2) was estimated using the equation of Strohmeier.1 The oxygen peak is symmetric. The material shows small amounts of carbon, fluorine, and nitrogen contamination. These silicon wafers are used as the base material for subsequent growth of templated carbon nanotubes.

  16. Surface Propensity of Atmospherically Relevant Amino Acids Studied by XPS.

    PubMed

    Mocellin, Alexandra; Gomes, Anderson Herbert de Abreu; Araújo, Oscar Cardoso; de Brito, Arnaldo Naves; Bjorneholm, Olle

    2017-03-30

    Amino acids constitute an important fraction of the water-soluble organic nitrogen (WSON) compounds in aerosols and are involved in many processes in the atmosphere. In this work, we applied XPS to study aqueous solutions of four amino acids: glycine, alanine, valine and methionine, in their zwitterionic forms. We found that amino acids with hydrophilic side chains and smaller size, GLY and ALA, tend to stay in the bulk of the liquid, while the hydrophobic and bigger amino acids, VAL and MET, are found to concentrate more on the surface. We found experimental evidences that the amino acids have preferential orientation relative to the surface, with the hydrophobic side chain being closer to the surface than the hydrophilic carboxylate group. The observed amino acid surface propensity has implications in atmospheric science as the surface interaction play a central role in cloud droplet formation, and they should be considered in climate models.

  17. XPS study of ZnO-based varistor materials

    SciTech Connect

    Kostikov, Yu.P.; Malikov, V.A.; Kuz`mina, E.G.

    1994-06-01

    Many articles are devoted to the study of ZnO-based varistor materials. But an adequate model of the constitution of these materials, describing the entire variety of chemical processes proceeding during their formation, does not yet exist. The absence of such a model and lack of knowledge about the chemistry of these materials lead to the introduction of up to ten dopants in their formulations however, the effect of each of these dopants on the material properties may be unclear. It is possible to resolve this problem only through systematic study of the electronic structure of these materials, of the redox processes which determine the formation of the electronic structure of materials, and of the effect of dopants and impurities on redox processes both directly and through the formation of the ceramic sample microstructure. This work is devoted to the XPS study of zinc oxide doped with cobalt and praseodymium oxides.

  18. PAC and XPS studies of II-VI compounds

    NASA Astrophysics Data System (ADS)

    Swanson, M. L.; Hughes, W. C.; Austin, J. C.; Choi, S. S.

    The perturbed angular correlation (PAC) method has considerable potential for studying near-surface defects of materials on a microscopic scale, especially in combination with standard surface techniques. We have characterized the near-surface and surface regions of II-VI compounds using PAC and X-ray photoelectron spectroscopy (XPS). PAC was used to identify point defect complexes containing the radioactive In-111 probe atoms, which were diffused into Cd(0.96)Zn(0.04)Te, Cd(0.8)Mn(0.2)Te, and Hg(0.79)Cd(0.21)Te (MCT) samples under vacuum from 200 to 550 C. After the Cd(Zn)Te samples were annealed at 450 C for 30 min, 60% of the In atoms occupied unique non-cubic sites, characterized by an interaction frequency Nu(sub Q) = 60 MHz and an asymmetry parameter eta = 0.2. These sites were attributed to In-(cadmium vacancy) complexes, since this signal was eliminated by subsequent annealing in a cadmium atmosphere. Similar results were obtained for the Cd(Mn)Te samples, but the vacancy complex occurred at a lower annealing temperature. The XPS data for Cd(Mn)Te showed that its oxide characteristics differed considerably from those of CdTe. Although oxide formation of CdTe occurs very lowly after sputter cleaning, a significant Te-O layer was formed on the Cd(Mn)Te surfaces after only 10 min exposure to air. In addition, deionized water removed the native oxide completely for CdTe but not for Cd(Mn)Te. For MCT, annealing at 350 C caused the formation of two defect complexes, characterized by frequencies of 83 and 92 MHz, and eta is approximately equal 0.1. These PAC signals vanished after annealing under a mercury atmosphere, indicating that they were also due to In-vacancy complexes.

  19. Surface plasmon enhanced photodetectors based on internal photoemission

    NASA Astrophysics Data System (ADS)

    Alavirad, Mohammad; Roy, Langis; Berini, Pierre

    2016-10-01

    Surface plasmon photodetectors are of broad interest. They are promising for several applications including telecommunications, photovoltaic solar cells, photocatalysis, color-sensitive detection, and sensing, as they can provide highly enhanced fields and strong confinement (to subwavelength scales). Such photodetectors typically combine a nanometallic structure that supports surface plasmons with a photodetection structure based on internal photoemission or electron-hole pair creation. Photodetector architectures are highly varied, including waveguides, gratings, nanoparticles, nanoislands, or nanoantennas. We review the operating principles behind surface plasmon photodetectors based on the internal photoelectric effect, and we survey and compare the most recent and leading edge concepts reported in the literature.

  20. The photoemissive cell of a vacuum ultraviolet radiation detector array

    NASA Astrophysics Data System (ADS)

    Il'ichev, E. A.; Kuleshov, A. E.; Nabiev, R. M.; Petrukhin, G. N.; Rychkov, G. S.; Teverovskaya, E. G.

    2017-04-01

    A photoemissive "solar-blind" cell of a vacuum ultraviolet detector array for the 50-225 nm wavelength range is described. The cell is a cavity in the shape of frustum of a pyramid in a silicon wafer, the walls of which are coated by polycrystalline diamond film acting the part of a photosensitive cathode. The design of the cell allows one to manage the work of the detector in the "pass through" mode; i.e., photons fall to one side of the wafer, and photoelectrons release from its opposite side. Estimation of photosensitivity of the cell gives a value of about ten photons.

  1. Photon Detector For Inverse Photoemission Spectroscopy With Improved Energy Resolution

    SciTech Connect

    Maniraj, M.; D'Souza, S. W.; Barman, S. R.

    2011-07-15

    We present the results from newly designed and fabricated double window photon detector to improve the overall energy resolution for inverse photoemission spectroscopy (IPES). This simple design allows us to introduce an absorption gas (Krypton) to decrease the band-width of the energy selective photon detector and thus improve the resolution. Resonance absorption line of Kr of wavelength of 123.6 nm was used. By fitting the Fermi edge of the IPES spectrum of silver, we find an overall energy resolution improved by 73 meV. The design is modular and ensures ease and safety of handling.

  2. Plasmon-enhanced internal photoemission for photovoltaics: Theoretical efficiency limits

    NASA Astrophysics Data System (ADS)

    White, Thomas P.; Catchpole, Kylie R.

    2012-08-01

    Plasmon-enhanced internal photoemission in metal-semiconductor Schottky junctions has recently been proposed as an alternative photocurrent mechanism for solar cells. Here, we identify and discuss the requirements for efficient operation of such cells and analyze their performance limits under standard solar illumination. We show that the maximum efficiency limit is <8% even if perfect optical absorption can be achieved using plasmonic nanostructures. This limit results from the fundamental electronic properties of metallic absorbers. Modifying the electron density of states of the absorber could increase the efficiency to >20%.

  3. Spin polarized photoemission studies of interfacial and thin film magnetism

    SciTech Connect

    Johnson, P.D.; Brookes, N.B.; Chang, Y.; Garrison, K.

    1993-01-01

    Spin polarized photoemission is used to study the electronic structure of noble metals deposited on ferromagnetic substrates. Studies of Ag deposited on an Fe(001) substrate reveal a series of minority spin interface or quantum well states with binding energies dependent on the thickness of the silver. Similar behavior is observed for Cu films deposited on a fct Co(001) substrate. Tight-binding modeling reproduces many of the observations and shows that hybridization of the sp-bands with the noble metal d-bands cannot be ignored.

  4. Spin polarized photoemission studies of interfacial and thin film magnetism

    SciTech Connect

    Johnson, P.D.; Brookes, N.B.; Chang, Y.; Garrison, K.

    1993-06-01

    Spin polarized photoemission is used to study the electronic structure of noble metals deposited on ferromagnetic substrates. Studies of Ag deposited on an Fe(001) substrate reveal a series of minority spin interface or quantum well states with binding energies dependent on the thickness of the silver. Similar behavior is observed for Cu films deposited on a fct Co(001) substrate. Tight-binding modeling reproduces many of the observations and shows that hybridization of the sp-bands with the noble metal d-bands cannot be ignored.

  5. Absence of superconductivity in the hole-doped Fe pnictide Ba(Fe1-xMnx)2As2: Photoemission and x-ray absorption spectroscopy studies

    NASA Astrophysics Data System (ADS)

    Suzuki, H.; Yoshida, T.; Ideta, S.; Shibata, G.; Ishigami, K.; Kadono, T.; Fujimori, A.; Hashimoto, M.; Lu, D. H.; Shen, Z.-X.; Ono, K.; Sakai, E.; Kumigashira, H.; Matsuo, M.; Sasagawa, T.

    2013-09-01

    We have studied the electronic structure of Ba(Fe1-xMnx)2As2 (x=0.08), which fails to become a superconductor in spite of the formal hole doping like Ba1-xKxFe2As2, with photoemission spectroscopy and x-ray absorption spectroscopy (XAS). With decreasing temperature, a transition from the paramagnetic phase to the antiferromagnetic phase was clearly observed by angle-resolved photoemission spectroscopy. XAS results indicated that the substituted Mn atoms form a strongly hybridized ground state. Resonance-photoemission spectra at the Mn L3 edge revealed that the Mn 3d partial density of states is distributed over a wide energy range of 2-13 eV below the Fermi level (EF), with little contribution around EF. This indicates that the dopant Mn 3d states are localized in spite of the strong Mn 3d-As 4p hybridization and split into the occupied and unoccupied parts due to the on-site Coulomb and exchange interaction. The absence of superconductivity in Ba(Fe1-xMnx)2As2 can thus be ascribed both to the absence of carrier doping in the FeAs plane and to the stabilization of the competing G-type antiferromagnetic order by the Mn impurities.

  6. Soft x-ray photoemission of clean and sulfur-covered polar ZnO surfaces: A view of the stabilization of polar oxide surfaces

    NASA Astrophysics Data System (ADS)

    Lahiri, Jayeeta; Senanayake, Sanjaya; Batzill, Matthias

    2008-10-01

    The two polar surfaces of ZnO were investigated by soft x-ray photoemission spectroscopy. Surface components due to variation in the Madelung energy were identified in photoemission core-level spectra. Sulfur adsorption was used to passivate the surfaces in order to enable separation of the bulk from the surface components. For the ZnO(0001)-Zn surface the observed photoemission peaks were consistent with a Zn-deficient surface, exhibiting a high density of O-terminated step edges. The ZnO(000-1)-O surface is very reactive toward hydrogen adsorption and only above 650 K a hydrogen free surface was observed. For hydrogen-free and small hydrogen coverage an electrostatic shift of the Fermi-level toward the band-gap center was observed. This indicates an incomplete compensation of the internal electrostatic potential by surface oxygen vacancies or charged adsorbates. Coadsorption of sulfur lowered the desorption temperature for hydrogen indicating the possibility to tune the chemical properties of these polar surfaces by dopants.

  7. Sulfur amino acids and alanine on pyrite (100) by X-ray photoemission spectroscopy: Surface or molecular role?

    NASA Astrophysics Data System (ADS)

    Sanchez-Arenillas, M.; Galvez-Martinez, S.; Mateo-Marti, E.

    2017-08-01

    This paper describes the first successful adsorption of the cysteine, cystine, methionine and alanine amino acids on the pyrite (100) surface under ultra-high vacuum conditions with crucial chemical adsorption parameters driving the process. We have demonstrated by X-ray photoemission spectroscopy (XPS) that the surface pretreatment annealing process on pyrite surfaces is a critical parameter driving surface reactivity. The presence of enriched monosulfide species on the pyrite (100) surface favours the amino acid NH2 chemical form, whereas a longer annealing surface pretreatment of over 3 h repairs the sulfur vacancies in the pyrite, enriching disulfide species on the pyrite surface, which promotes NH3+ adsorption due to the sulfur vacancies in the pyrite being replaced by sulfur atom dimers (S22-) on the surface. Furthermore, even if the surface chemistry (monosulfide or disulfide species enrichment) is the main factor promoting a partial conversion from NH2 to NH3+ species, the unique chemical structure of each amino acid provides a particular fingerprint in the process.

  8. A combined droplet train and ambient pressure photoemission spectrometer for the investigation of liquid/vapor interfaces

    SciTech Connect

    Starr, David E.; Wong, Ed K.; Worsnop, Douglas R.; Wilson, Kevin R.; Bluhm, Hendrik

    2008-05-01

    We describe a combined ambient pressure photoelectron spectroscopy/droplet train apparatus for investigating the nature and heterogeneous chemistry of liquid/vapor interfaces. In this instrument a liquid droplet train with typical droplet diameters from 50...150 {micro}m is produced by a vibrating orifice aerosol generator (VOAG). The droplets are irradiated by soft X-rays (100...1500 eV) in front of the entrance aperture of a differentially pumped electrostatic lens system that transfers the emitted electrons into a conventional hemispherical electron analyzer. The photoemission experiments are performed at background pressures of up to several Torr, which allows the study of environmentally important liquid/vapor interfaces, in particular aqueous solutions, under equilibrium conditions. The exposure time of the droplet surface to the background gases prior to the XPS measurement can be varied, which will allow future kinetic measurements of gas uptake on liquid surfaces. As an example, a measurement of the surface composition of a {chi} = 0.21 aqueous methanol solution is presented. The concentration of methanol at the vapor/liquid interface is enhanced by a factor of about 3 over the bulk value, while the expected bulk value is recovered at depths larger than about 1.5 nm.

  9. Extreme regimes of femtosecond photoemission from a copper cathode in a dc electron gun

    NASA Astrophysics Data System (ADS)

    Pasmans, P. L. E. M.; van Vugt, D. C.; van Lieshout, J. P.; Brussaard, G. J. H.; Luiten, O. J.

    2016-10-01

    The femtosecond photoemission yield from a copper cathode and the emittance of the created electron beams has been studied in a 12 MeV /m , 100 keV dc electron gun over a wide range of laser fluence, from the linear photoemission regime until the onset of image charge limitations and cathode damaging. The measured photoemission curves can be described well with available theory which includes the Schottky effect, second-order photoemission, and image charge limitation. The second-order photoemission can be explained by thermally assisted one-photon photoemission (1PPE) and by above-threshold two-photon photoemission (2PPE). Measurements with a fresh cathode suggest that the 2PPE process is dominant. The beam emittance has been measured for the entire range of initial surface charge densities as well. The emittance measurements of space-charge dominated beams can be described well by an envelope equation with generalized perveance. The dc gun produces 0.1 pC bunches with 25 nm rms normalized emittance, corresponding to a normalized brightness usually associated with rf photoguns. In this experimental study the limits of femtosecond photoemission from a copper cathode have been explored and analyzed in great detail, resulting in improved understanding of the underlying mechanisms.

  10. XPS investigations of Pt and Rh supported on γ-Al 2O 3 and TiO 2

    NASA Astrophysics Data System (ADS)

    Huizinga, T.; van'T Blik, H. F. J.; Vis, J. C.; Prins, R.

    1983-12-01

    An XPS investigation of Pt and Rh supported on γ-Al 2O 3 and TiO 2 was performed in order to establish the differences in metal-support interactions. The binding energies of the core levels of the supported metal particles were found to vary as a function of the dispersion of the supported metal, with the highest binding energy for the highest dispersion. This binding energy variation is caused by differences in the extra-atomic relaxation of metal particles of different sizes. In small particles there is a less effective screening of the core holes created during photoemission. For Pt/TiO 2 catalysts prereduced below 1015 K, slightly higher binding energies were found than for Pt/Al 2O 3 catalysts after comparable pretreatments. No differences in binding energies could be observed between Rh/TiO 2 and Rh/Al 2O 3 over a wide range of dispersions. In situ reduction of M/TiO 2 at 523 or 823 K led to essentially the same biding energy. These results show that there is no significant electron transfer from Ti 3+ to metallic platinum or rhodium. Consequently the strongly reduced chemisorption properties of metals on TiO 2, observed after high temperature reduction (SMSI), cannot be due to negatively charged metal atoms. For M/TiO 2 samples prereduced above 1015 K, an increase in binding energy of the metal core levels is found in combination with a decrease in dispersion of the metal. This behaviour is explained by encapsulation and spalling of the metal particles during an observed anatase-to-rutile phase transformation.

  11. Effects of molecular potential and geometry on atomic core-level photoemission over an extended energy range - the case study of CO molecule

    NASA Astrophysics Data System (ADS)

    Kukk, E.; Ayuso, D.; Thomas, T. D.; Decleva, P.; Patanen, M.; Argenti, L.; Plésiat, E.; Palacios, A.; Kooser, K.; Travnikova, O.; Mondal, S.; Kimura, M.; Sakai, K.; Miron, C.; Martín, F.; Ueda, K.

    2014-04-01

    We report an experimental and theoretical study of single-molecule inner-shell photoemission over an extended range of photon energies. The vibrational ratios v=1/v=0 from the C 1s photoelectron spectra, although mostly determined by the bond length change, are shown to be affected also by photoelectron recoil and scattering on the neighboring oxygen atom. Density functional theory is used to encompass all these effect in unified treatment. It is also demonstrated that the DFT calculations can be used as a means to extract dynamic and static molecular geometry values.

  12. New Luttinger-Liquid Physics from Photoemission on Li0.9Mo6O17

    SciTech Connect

    Wang, Feng; Alvarez, J V; Mo, S -K; Allen, J W; Gweon, G -H; He, J; Jin, Rongying; Mandrus, David; Hochst, H

    2006-01-01

    Temperature dependent high resolution photoemission spectra of quasi-one-dimensional Li{sub 0.9}Mo{sub 6}O{sub 17} evince a strong renormalization of its Luttinger-liquid density-of-states anomalous exponent. We trace this new effect to interacting charge neutral critical modes that emerge naturally from the two-band nature of the material. Li{sub 0.9}Mo{sub 6}O{sub 17} is shown thereby to be a paradigm material that is capable of revealing new Luttinger physics.

  13. Vacuum space charge effects in sub-picosecond soft X-ray photoemission on a molecular adsorbate layer.

    PubMed

    Dell'Angela, M; Anniyev, T; Beye, M; Coffee, R; Föhlisch, A; Gladh, J; Kaya, S; Katayama, T; Krupin, O; Nilsson, A; Nordlund, D; Schlotter, W F; Sellberg, J A; Sorgenfrei, F; Turner, J J; Öström, H; Ogasawara, H; Wolf, M; Wurth, W

    2015-03-01

    Vacuum space charge induced kinetic energy shifts of O 1s and Ru 3d core levels in femtosecond soft X-ray photoemission spectra (PES) have been studied at a free electron laser (FEL) for an oxygen layer on Ru(0001). We fully reproduced the measurements by simulating the in-vacuum expansion of the photoelectrons and demonstrate the space charge contribution of the high-order harmonics in the FEL beam. Employing the same analysis for 400 nm pump-X-ray probe PES, we can disentangle the delay dependent Ru 3d energy shifts into effects induced by space charge and by lattice heating from the femtosecond pump pulse.

  14. Evolution of electronic structure of few-layer phosphorene from angle-resolved photoemission spectroscopy of black phosphorous

    NASA Astrophysics Data System (ADS)

    Ehlen, N.; Senkovskiy, B. V.; Fedorov, A. V.; Perucchi, A.; Di Pietro, P.; Sanna, A.; Profeta, G.; Petaccia, L.; Grüneis, A.

    2016-12-01

    A complete set of tight-binding parameters for the description of the quasiparticle dispersion relations of black phosphorous (BP) and N -layer phosphorene with N =1 ...∞ is presented. The parameters, which describe valence and conduction bands, are fit to angle-resolved photoemission spectroscopy (ARPES) data of pristine and lithium doped BP. We show that zone-folding of the experimental three-dimensional electronic band structure of BP is a simple and intuitive method to obtain the layer-dependent two-dimensional electronic structure of few-layer phosphorene. Zone folding yields the band gap of N -layer phosphorene in excellent quantitative agreement to experiments and ab initio calculations. A combined analysis of optical absorption and ARPES spectra of pristine and doped BP is used to estimate a value for the exciton binding energy of BP.

  15. Time-dependent many-body treatment of electron-boson dynamics: Application to plasmon-accompanied photoemission

    NASA Astrophysics Data System (ADS)

    Schüler, M.; Berakdar, J.; Pavlyukh, Y.

    2016-02-01

    Recent experiments access the time-resolved photoelectron signal originating from plasmon satellites in correlated materials and address their buildup and decay in real time. Motivated by these developments, we present the Kadanoff-Baym formalism for the nonequilibrium time evolution of interacting fermions and bosons. In contrast to the fermionic case, the bosons are described by second-order differential equations. Solution of the bosonic Kadanoff-Baym equations—which is the central ingredient of this work—requires substantial modification of the usual two-times electronic propagation scheme. The solution is quite general and can be applied to a number of problems, such as the interaction of electrons with quantized photons, phonons, and other bosonic excitations. Here the formalism is applied to the photoemission from a deep core hole accompanied by plasmon excitation. We compute the time-resolved photoelectron spectra and discuss the effects of intrinsic and extrinsic electron energy losses and their interference.

  16. High-resolution photoemission spectroscopy study of the single-domain Si(110)-16×2 surface

    NASA Astrophysics Data System (ADS)

    Kim, N. D.; Kim, Y. K.; Park, C.-Y.; Yeom, H. W.; Koh, H.; Rotenberg, E.; Ahn, J. R.

    2007-03-01

    We have investigated the valence band structure and Si2p photoemission spectra of the single-domain Si(110)-16×2 surface with higher resolution than previous studies. We found that the highest occupied surface state, reported to be dispersive in the previous studies, is resolved into the two surface states with flat energy dispersions. This reveals that the two surface states are not produced by Si π -bonded chains, as suggested in the previous studies, but originate from the building blocks with spatially localized electronic structures such as a Si tetramer and a Si adatom. Si2p line shapes show directly five surface components without any curve fitting. Various atomic structure models, especially the adatom-tetramer-interstitial model, of the Si(110)-16×2 surface are considered to figure out the atomistic origins of the surface components and states.

  17. Vacuum space charge effects in sub-picosecond soft X-ray photoemission on a molecular adsorbate layer

    PubMed Central

    Dell'Angela, M.; Anniyev, T.; Beye, M.; Coffee, R.; Föhlisch, A.; Gladh, J.; Kaya, S.; Katayama, T.; Krupin, O.; Nilsson, A.; Nordlund, D.; Schlotter, W. F.; Sellberg, J. A.; Sorgenfrei, F.; Turner, J. J.; Öström, H.; Ogasawara, H.; Wolf, M.; Wurth, W.

    2015-01-01

    Vacuum space charge induced kinetic energy shifts of O 1s and Ru 3d core levels in femtosecond soft X-ray photoemission spectra (PES) have been studied at a free electron laser (FEL) for an oxygen layer on Ru(0001). We fully reproduced the measurements by simulating the in-vacuum expansion of the photoelectrons and demonstrate the space charge contribution of the high-order harmonics in the FEL beam. Employing the same analysis for 400 nm pump-X-ray probe PES, we can disentangle the delay dependent Ru 3d energy shifts into effects induced by space charge and by lattice heating from the femtosecond pump pulse. PMID:26798795

  18. XPS and EELS characterization of Mn2SiO4, MnSiO3 and MnAl2O4

    NASA Astrophysics Data System (ADS)

    Grosvenor, A. P.; Bellhouse, E. M.; Korinek, A.; Bugnet, M.; McDermid, J. R.

    2016-08-01

    X-ray Photoelectron Spectroscopy (XPS) and Electron Energy Loss Spectroscopy (EELS) are strong candidate techniques for characterizing steel surfaces and substrate-coating interfaces when investigating the selective oxidation and reactive wetting of advanced high strength steels (AHSS) during the continuous galvanizing process. However, unambiguous identification of ternary oxides such as Mn2SiO4, MnSiO3, and MnAl2O4 by XPS or EELS, which can play a significant role in substrate reactive wetting, is difficult due to the lack of fully characterized standards in the literature. To resolve this issue, samples of Mn2SiO4, MnSiO3 and MnAl2O4 were synthesized and characterized by XPS and EELS. The unique features of the XPS and EELS spectra for the Mn2SiO4, MnSiO3 and MnAl2O4 standards were successfully derived, thereby allowing investigators to fully differentiate and identify these oxides at the surface and subsurface of Mn, Si and Al alloyed AHSS using these techniques.

  19. Understanding the Unique Electronic Properties of Nano Structures Using Photoemission Theory

    PubMed Central

    Kwon, Soonnam; Choi, Won Kook

    2015-01-01

    Newly emerging experimental techniques such as nano-ARPES are expected to provide an opportunity to measure the electronic properties of nano-materials directly. However, the interpretation of the spectra is not simple because it must consider quantum mechanical effects related to the measurement process itself. Here, we demonstrate a novel approach that can overcome this problem by using an adequate simulation to corroborate the experimental results. Ab initio calculation on arbitrarily-shaped or chemically ornamented nano-structures is elaborately correlated to photoemission theory. This correlation can be directly exploited to interpret the experimental results. To test this method, a direct comparison was made between the calculation results and experimental results on highly-oriented pyrolytic graphite (HOPG). As a general extension, the unique electronic structures of nano-sized graphene oxide and features from the experimental result of black phosphorous (BP) are disclosed for the first time as supportive evidence of the usefulness of this method. This work pioneers an approach to intuitive and practical understanding of the electronic properties of nano-materials. PMID:26634647

  20. New ambient pressure photoemission endstation at Advanced Light Source beamline 9.3.2

    SciTech Connect

    Grass, Michael E.; Karlsson, Patrik G.; Lundqvist, Maans; Aksoy, Funda; Wannberg, Bjoern; Mun, Bongjin S.; Hussain, Zahid; Liu, Zhi

    2010-05-15

    During the past decade, the application of ambient pressure photoemission spectroscopy (APPES) has been recognized as an important in situ tool to study environmental and materials science, energy related science, and many other fields. Several APPES endstations are currently under planning or development at the USA and international light sources, which will lead to a rapid expansion of this technique. The present work describes the design and performance of a new APPES instrument at the Advanced Light Source beamline 9.3.2 at Lawrence Berkeley National Laboratory. This new instrument, Scienta R4000 HiPP, is a result of collaboration between Advanced Light Source and its industrial partner VG-Scienta. The R4000 HiPP provides superior electron transmission as well as spectromicroscopy modes with 16 {mu}m spatial resolution in one dimension and angle-resolved modes with simulated 0.5 deg. angular resolution at 24 deg. acceptance. Under maximum transmission mode, the electron detection efficiency is more than an order of magnitude better than the previous endstation at beamline 9.3.2. Herein we describe the design and performance of the system, which has been utilized to record spectra above 2 mbar.

  1. Resonant photoemission and X-ray absorption spectroscopies of lithiated magnetite thin film

    NASA Astrophysics Data System (ADS)

    Tsuchiya, Takashi; Kawamura, Kinya; Namiki, Wataru; Furuichi, Shoto; Takayanagi, Makoto; Minohara, Makoto; Kobayashi, Masaki; Horiba, Koji; Kumigashira, Hiroshi; Terabe, Kazuya; Higuchi, Tohru

    2017-04-01

    Resonant photoemission spectroscopy (RPES) and X-ray absorption spectroscopy (XAS) were used to investigate the effect of lithiation on the electronic structure of Fe3O4 thin film relevant to the operation mechanism of nanoionic devices to enable magnetic property tuning. Comparison of the Fe 2p XAS spectrum for lithiated Fe3O4 (Li-Fe3O4) with that for pristine Fe3O4 clearly demonstrated that the number of Fe2+ ions at octahedral B sites is increased by lithiation. The valence band RPES spectra of Li-Fe3O4 further showed that lithiation increases the density of states near the Fermi level originating Fe2+ ions at octahedral B sites. These findings agree well with the observed decrease in the saturation magnetization in the magnetization-magnetic field (M-H) loop of Li-Fe3O4 thin film, indicating that minority spins (down spins) increase (i.e., total spins decrease) due to lithiation. The variation in the number of Fe2+ ions at B sites is suggested to be an underlying operating mechanism of a nanoionics-based magnetic property tuning device.

  2. Understanding the Unique Electronic Properties of Nano Structures Using Photoemission Theory

    NASA Astrophysics Data System (ADS)

    Kwon, Soonnam; Choi, Won Kook

    2015-12-01

    Newly emerging experimental techniques such as nano-ARPES are expected to provide an opportunity to measure the electronic properties of nano-materials directly. However, the interpretation of the spectra is not simple because it must consider quantum mechanical effects related to the measurement process itself. Here, we demonstrate a novel approach that can overcome this problem by using an adequate simulation to corroborate the experimental results. Ab initio calculation on arbitrarily-shaped or chemically ornamented nano-structures is elaborately correlated to photoemission theory. This correlation can be directly exploited to interpret the experimental results. To test this method, a direct comparison was made between the calculation results and experimental results on highly-oriented pyrolytic graphite (HOPG). As a general extension, the unique electronic structures of nano-sized graphene oxide and features from the experimental result of black phosphorous (BP) are disclosed for the first time as supportive evidence of the usefulness of this method. This work pioneers an approach to intuitive and practical understanding of the electronic properties of nano-materials.

  3. Exploring Coupled Plasmonic Nanostructures in the Near Field by Photoemission Electron Microscopy.

    PubMed

    Yu, Han; Sun, Quan; Ueno, Kosei; Oshikiri, Tomoya; Kubo, Atsushi; Matsuo, Yasutaka; Misawa, Hiroaki

    2016-11-22

    The extraordinary optical properties of coupled plasmonic nanostructures make these materials potentially useful in many applications; thus, they have received enormous attention in basic and applied research. Coupled plasmon modes have been characterized predominantly using far-field spectroscopy. In near-field spectroscopy, the spectral response of local field enhancement in coupled plasmonic nanostructures remains largely unexplored, especially experimentally. Here, we investigate the coupled gold dolmen nanostructures in the near field using photoemission electron microscopy, with wavelength-tunable femtosecond laser pulses as an excitation source. The spatial evolution of near-field mapping of an individual dolmen structure with the excitation wavelength was successfully obtained. In the near field, we spatially resolved an anti-bonding mode and a bonding mode as the result of plasmon hybridization. Additionally, the quadrupole plasmon mode that could be involved in the formation of a Fano resonance was also revealed by spatially resolved near-field spectra, but it only contributed little to the total near-field enhancement. On the basis of these findings, we obtained a better understanding of the near-field properties of coupled plasmonic nanostructures, where the plasmon hybridization and the plasmonic Fano resonance were mixed.

  4. High repetition pump-and-probe photoemission spectroscopy based on a compact fiber laser system.

    PubMed

    Ishida, Y; Otsu, T; Ozawa, A; Yaji, K; Tani, S; Shin, S; Kobayashi, Y

    2016-12-01

    The paper describes a time-resolved photoemission (TRPES) apparatus equipped with a Yb-doped fiber laser system delivering 1.2-eV pump and 5.9-eV probe pulses at the repetition rate of 95 MHz. Time and energy resolutions are 11.3 meV and ∼310 fs, respectively, the latter is estimated by performing TRPES on a highly oriented pyrolytic graphite (HOPG). The high repetition rate is suited for achieving high signal-to-noise ratio in TRPES spectra, thereby facilitating investigations of ultrafast electronic dynamics in the low pump fluence (p) region. TRPES of polycrystalline bismuth (Bi) at p as low as 30 nJ/mm(2) is demonstrated. The laser source is compact and is docked to an existing TRPES apparatus based on a 250-kHz Ti:sapphire laser system. The 95-MHz system is less prone to space-charge broadening effects compared to the 250-kHz system, which we explicitly show in a systematic probe-power dependency of the Fermi cutoff of polycrystalline gold. We also describe that the TRPES response of an oriented Bi(111)/HOPG sample is useful for fine-tuning the spatial overlap of the pump and probe beams even when p is as low as 30 nJ/mm(2).

  5. High repetition pump-and-probe photoemission spectroscopy based on a compact fiber laser system

    NASA Astrophysics Data System (ADS)

    Ishida, Y.; Otsu, T.; Ozawa, A.; Yaji, K.; Tani, S.; Shin, S.; Kobayashi, Y.

    2016-12-01

    The paper describes a time-resolved photoemission (TRPES) apparatus equipped with a Yb-doped fiber laser system delivering 1.2-eV pump and 5.9-eV probe pulses at the repetition rate of 95 MHz. Time and energy resolutions are 11.3 meV and ˜310 fs, respectively, the latter is estimated by performing TRPES on a highly oriented pyrolytic graphite (HOPG). The high repetition rate is suited for achieving high signal-to-noise ratio in TRPES spectra, thereby facilitating investigations of ultrafast electronic dynamics in the low pump fluence (p) region. TRPES of polycrystalline bismuth (Bi) at p as low as 30 nJ/mm2 is demonstrated. The laser source is compact and is docked to an existing TRPES apparatus based on a 250-kHz Ti:sapphire laser system. The 95-MHz system is less prone to space-charge broadening effects compared to the 250-kHz system, which we explicitly show in a systematic probe-power dependency of the Fermi cutoff of polycrystalline gold. We also describe that the TRPES response of an oriented Bi(111)/HOPG sample is useful for fine-tuning the spatial overlap of the pump and probe beams even when p is as low as 30 nJ/mm2.

  6. Ion bombardment of Ni(110) studied with inverse photoemission spectroscopy and low-energy electron diffraction

    NASA Astrophysics Data System (ADS)

    Young, Benjamin; Warner, James; Heskett, David

    2016-02-01

    Inverse photoemission spectroscopy (IPES) performed on clean Ni(110) reveals an unoccupied electronic surface state with energy 2.5 eV above the Fermi level for emission near the Ȳ point of the Surface Brillouin Zone. Ion bombardment of the sample creates defects that reduce the intensity of the peak in IPES spectra. Sharp, intense diffraction spots in low-energy electron diffraction (LEED) patterns taken of the clean surface become dimmer after bombardment. Results of these measurements are compared to Monte Carlo simulations of the sputtering process to ascertain the approximate size of clean patches on the sample necessary to sustain the IPES and LEED features. At 170 K, the IPES surface state peak appears closely associated with the population of surface atomic sites contained in clean circular patches of about 50 atoms. The LEED patterns persist to greater degrees of sputtering and are associated with smaller clean patches. Both measurements performed at 300 K indicate significant self-annealing of the sputtering damage.

  7. [XPS and Raman spectral analysis of nitrogenated tetrahedral amorphous carbon (ta-C : N) films with different nitrogen content].

    PubMed

    Chen, Wang-Shou; Zhu, Jia-Qi; Han, Jie-Cai; Tian, Gui; Tan, Man-Lin

    2009-01-01

    Nitrogenated tetrahedral amorphous carbon (ta-C : N) films were prepared on the polished C--Si substrates by introducing highly pure nitrogen gas into the cathode region and the depositing chamber synchronously using filtered cathodic vacuum arc (FCVA) technology. The nitrogen content in the films was controlled by changing the flow rate of nitrogen gas. The configuration of ta-C : N films was investigated by means of X-ray photoelectron spectroscopy (XPS) and visible Raman spectroscopy. It was shown that the nitrogen content in the films increased from 0.84 at% to 5.37 at% monotonously when the nitrogen flow rate was varied from 2 seem to 20 sccm. The peak position of C (1s) core level moved towards higher binding energy with the increase in nitrogen content. The shift of C (1s) peak position could be ascribed to the chemical bonding between carbon and nitrogen atoms even though more three-fold coordinated sp2 configuration as in graphite was formed when the films were doped with more nitrogen atoms. Additionally, the half width of C(1s) peak gradually was also broadened with increasing nitrogen content. In order to discover clearly the changing regularities of the microstructure of the films, the XPS C(1s) spectra and Raman spectra were deconvoluted using a Gaussian-Lorentzian mixed lineshape. It was shown that the tetrahedral hybridization component was still dominant even though the ratio of sp2/sp3 obtained from C(1s) spectra rose with the increase in nitrogen content. The Raman measurements demonstrated that the G peak position shifted towards higher frequency from 1,561 to 1,578 cm(-1) and the ratio of ID/IG also rose with the increase in nitrogen content. Both results indicated that the graphitizing tendency could occur with the increase in nitrogen content in the films.

  8. Samarium and europium beta”-alumina derivatives characterized by XPS

    DOE PAGES

    Myhre, Kristian; Meyer, Harry; Du, Miting

    2017-01-04

    Characterization of sodium, samarium and europium beta -alumina derivatives has been carried out using X-ray photoelectron spectroscopy. Beta -alumina has been widely studied as a material capable of incorporating many different cations into its lattice structure, such as sodium and many of the lanthanide elements. The X-ray photoelectron spectra of samarium and europium in the beta -alumina structure are reported here. Additionally, the spectra of the precursor sodium beta -alumina as well as the europium and samarium trichloride starting materials are presented.

  9. XPS profile analysis on CdS thin film modified with Ag by an ion exchange

    NASA Astrophysics Data System (ADS)

    Ristova, M.; Ristov, M.

    2001-09-01

    Thin CdS films were produced by the method of chemical bath deposition. The composition of the film surface was modified with Ag by their immersion in 0.025 M thiosulfate Ag + complex solution for 60 s. After 3-4 months, films underwent XPS analysis. The peaks on the Auger electron spectrum were identified to originate from Cd, Ag, S, O and C electrons. Depth profile electron spectra were taken for 15 different depths of the film profile. AgMNN and CdMNN, Cd3d, S2p, Ag3d and O1s peaks were subject to detailed qualitative and quantitative analysis. Results of the quantitative profile analysis showed that the Ag +-ions from the ion exchange solution, introduced into the CdS thin film by this method, displace the Cd +2 ions during the substitution diffusion by a kick-out mechanism, forming Ag 2S. The distribution of Ag 2S in the film profile could be fitted to a exponential curve. The overall Ag 2S concentration in the thin CdS film was calculated from the integral of the normalized fitted curve over the entire film thickness. The data from the film profile was related to the optical and electrical properties of the Ag modified CdS films, which were the subject of study in our previous research.

  10. Iridescent Art Nouveau glass - IBA and XPS for the characterisation of thin iridescent layers

    NASA Astrophysics Data System (ADS)

    Jembrih, D.; Neelmeijer, C.; Schreiner, M.; Mäder, M.; Ebel, M.; Svagera, R.; Peev, M.

    2001-07-01

    The external proton beam of the Tandem accelerator of the Research Centre in Rossendorf/Germany was used to carry out non-destructive particle-induced X-ray emission (PIXE) particle-induced gamma-ray emission (PIGE) and Rutherford backscattering (RBS) measurements simultaneously on Art Nouveau artifacts produced around 1900 by Tiffany/USA and Loetz/Austria. These studies should proof the technology of producing an iridescent layer on a glass surface. By means of the yield ratio Y(Si-K)/ Y(Si-γ) of both characteristic X-radiation (Si-K) and γ-radiation (Si-γ) of the element silicon it could be shown that a thin top layer is present on the glass surface due to the treatment of the heated artifacts (about 500°C) with an alcoholic solution of SnCl 2[1]. Combined evaluation of the PIXE and RBS spectra resulted in a thickness of 20-300 nm for this top layer. In addition, a transition region between the iridescent layer and the bulk glass was obtained by RUMP simulations. Approximately 80% of the total amount of the Sn were found to be present in this transition layer and only 10-20% in the outermost surface region. XPS studies showed that the outermost layer consists of SnO 2. The formation of other Sn compounds in the outermost near-surface region based on Sn-Si-O during the manufacturing process can be excluded.

  11. Amino acid-based ionic liquids: using XPS to probe the electronic environment via binding energies.

    PubMed

    Hurisso, Bitu Birru; Lovelock, Kevin R J; Licence, Peter

    2011-10-21

    Here we report the synthesis and characterisation by X-ray photoelectron spectroscopy (XPS) of eight high purity amino acid-based ionic liquids (AAILs), each containing the 1-octyl-3-methylimidazolium, [C(8)C(1)Im](+), as a standard reference cation. All expected elements were observed and the electronic environments of these elements identified. A fitting model for the carbon 1s region of the AAILs is reported; the C aliphatic component of the cation was used as an internal reference to obtain a series of accurate and reproducible binding energies. Comparisons are made between XP spectra of the eight AAILs and selected non-functionalised ionic liquids. 1-octyl-3-methylimidazolium acetate was also studied as a model of the carboxyl containing amino acid anion. The influence of anionic substituent groups on the measured binding energies of all elements is presented, and communication between anion and cation is investigated. This data is interpreted in terms of hard and soft anions and compared to the Kamlet-Taft hydrogen bond acceptor ability, β, for the ionic liquids. A linear correlation is presented which suggests that the functional side chain, or R group, of the amino acid has little impact upon the electronic environment of the charge-bearing moieties within the anions and cations studied.

  12. CO adsorption on Ce-Pt(111) studied with LEED, XPS, and temperature programmed desorption

    SciTech Connect

    Vermang, B.; Juel, M.; Raaen, S.

    2006-01-15

    CO adsorption on Ce-Pt(111) has been studied by temperature programmed desorption (TPD), low energy electron diffraction (LEED) and x-ray photoelectron spectroscopy (XPS). Thin layers (1 to 3 ML) of Ce on Pt(111) form upon annealing to 1000 K a surface alloy which most likely is Pt terminated. The CO overlayer structure on Ce-Pt(111) at saturation coverage is argued to be an intermediate between (2x2) and c(4x2) superstructures. This intermediate structure exhibits a c(4x2) LEED pattern in which some of the spots appear together as ordered triangles. The thermal desorption spectra for the Ce-Pt(111) surface alloy are shifted down by a temperature of about 120 K compared to the CO desorption of pure Pt(111), most likely due to a change in the d-band due to hybridization between Ce and Pt states, which results in a weakening of the resonant interaction between CO 5{sigma} and Pt 5d states.

  13. Surface degradation of α-naphthalene sulfonate-doped polypyrrole during XPS characterization

    NASA Astrophysics Data System (ADS)

    Ruangchuay, Ladawan; Schwank, Johannes; Sirivat, Anuvat

    2002-10-01

    The surface compositions of non-aging chemically synthesized polypyrrole samples doped with α-naphthalene sulfonate (PPy/α-NS -) were investigated by X-ray photoelectron spectroscopy (XPS). The power of the X-ray source used was 300 W. Employing liquid nitrogen cooling of the sample holder, the spectra in the regions of C 1s, O 1s, N 1s and S 2p were found to be reproducible with a gradual change in S 2p spectrum when the accumulated X-ray exposure time was less than 1050 min. Beyond this accumulated X-ray exposure time, dramatic changes were observed in all spectral regions. The decreases in the amount of dopant and HSO 4- or SO 42- co-dopant species correspond to the decrease in the amount of polaron charge carrier species of PPy (NH rad +). We found increases in the amount of the imine-like nitrogen (N) and hydrocarbon, and the presence of new sulfur-containing species. These results suggested the deprotonation of the polaron by the dopant and the desulfonation of the protonated dopant. After desulfonation, these new sulfur-containing species were removed whereas the carbons of the naphthalene rings were still adhering to the surface of the PPy pellet. This degradation became more severe when the liquid nitrogen cooling system of the spectrometer was not used. The results indicate that the degradation was mainly induced by heat from the X-ray beam.

  14. Investigation of adhesion between molybdenum and polysilazane by XPS

    NASA Astrophysics Data System (ADS)

    Amouzou, Dodji; Fourdrinier, Lionel; Sporken, Robert

    2015-07-01

    Here, we investigate the interface between polysilazane (PSZ) coatings and Mo films for understanding adhesion. Two kinds of Mo/PSZ samples are investigated (the well-adhered samples and the non-adhered samples) and the chemical environments of their interfaces are compared. For some investigations, ultra-thin Mo films (2-5 nm) are deposited on PSZ coatings to probe the interface directly by X-ray photoelectron spectroscopy (XPS) and to avoid long sputtering times in depth profiling of Mo films. It was found that the sputtered Mo films systematically adhere well to PSZ coatings. The good adhesion arises from a formation of molybdenum oxycarbonitride or molybdenum carbonitride ceramics through covalent bonding between atoms from PSZ and Mo at the interface. The nature of ceramic newly formed at the interface between PSZ and Mo films depends on deposition conditions and can lead to cohesion failure in PSZ coatings. We demonstrated that the adhesion failure observed for some samples does not occur due to the absence of bonding between atoms at interface of Mo/PSZ but may result from the chemical change.

  15. Photoemission studies of novel charge density wave systems

    NASA Astrophysics Data System (ADS)

    Kidd, Timothy Edward

    Photoelectron spectroscopy is a powerful tool for probing the properties of surfaces and interfaces. Linked with a tunable light source such as the Synchrotron Radiation Center in Stoughton, WI, one is able to obtain information concerning the sample's crystal structure, the interfacial properties of thin films, valence band structure, and chemical environment. This thesis is mainly focused on the use of angle-resolved photoemission to study the electronic structure of charge density wave (CDW) systems. CDW systems undergo a temperature dependent structural phase transition accompanied by a modulation of the conduction electron density. These materials share many properties with complex systems. These systems display many novel properties including high-Tc superconductivity and the colossal magnetoresistance effect. One of the shared properties of these systems is a high sensitivity to doping and defects. This sensitivity will be explored in the context of two CDW systems in this thesis. The first system to be studied was the 1/3 ML Sn/Ge(111) surface. It is a simple 2D binary semiconductor system which appears to undergo a CDW phase transition at low temperatures. Photoemission spectroscopy was used to determine the mechanism for the phase transition, and the influence of defects upon the system. It appears the defects play a strong role in defining both the normal and ground state for the system, and are perhaps essential for the phase transition. The second system studied is the layered compound TiSe2. Unlike other group IV transition metal dichalcogenides, TiSe2 undergoes a CDW phase transition at low temperatures. Although the system has been studied for decades, there is still no consensus on the mechanism driving the phase transition. There is also some doubt as to whether the normal state is semi-metallic or semiconducting. Again, defects have a strong effect upon the system. Photoemission studies were used to measure the system's electronic structure near

  16. Angle-resolved photoemission extended fine structure: Multiple layers of emitters and multiple initial states

    SciTech Connect

    Huff, W.R.A.; Kellar, S.A.; Moler, E.J. |; Chen, Y.; Wu, H.; Shirley, D.A.; Hussain, Z.

    1995-08-01

    Recently, angle-resolved photoemission extended fine structure (ARPEFS) has been applied to experimental systems involving multiple layers of emitters and non-s core-level photoemission in an effort to broaden the utility of the technique. Most of the previous systems have been comprised of atomic or molecular overlayers adsorbed onto a single-crystal, metal surface and the photoemission data were taken from an s atomic core-level in the overlayer. For such a system, the acquired ARPEFS data is dominated by the p{sub o} final state wave backscattering from the substrate atoms and is well understood. In this study, we investigate ARPEFS as a surface-region structure determination technique when applied to experimental systems comprised of multiple layers of photoemitters and arbitrary initial state core-level photoemission. Understanding the data acquired from multiple layers of photoemitters is useful for studying multilayer interfaces, ''buried'' surfaces, and clean crystals in ultra- high vacuum. The ability to apply ARPEFS to arbitrary initial state core-level photoemission obviously opens up many systems to analysis. Efforts have been ongoing to understand such data in depth. We present clean Cu(111) 3s, 3p, and 3d core-level, normal photoemission data taken on a high resolution soft x-ray beamline 9.3.2 at the Advanced Light Source in Berkeley, California and clean Ni(111) 3p normal photoemission data taken at the National Synchrotron Light Source in Upton, New York, USA.

  17. Simultaneous measurements of photoemission and morphology of various Al alloys during mechanical deformation

    SciTech Connect

    Cai, M.; Li, W.; Dickinson, J. T.

    2006-11-15

    We report simultaneous measurements of strain and photoelectron emission from high purity Al (1350), Al-Mg (5052), Al-Mn (3003), Al-Cu (2024), and Al-Mg-Si (6061) alloys under uniaxial tension due to pulsed excimer laser radiation (248 nm). The emission of low-energy photoelectrons is sensitive to deformation-induced changes in surface morphology, including the formation of slip lines and slip bands. Alloy composition and surface treatment significantly influence the photoemission during deformation. Surface oxide enhances the signal-to-noise level during photoemission measurement. In the early stage of deformation (strain {<=}0.04), photoemission intensity increases gradually in a nonlinear fashion. While subsequent photoemission increases almost linearly with strain until failure in samples with thin oxide layer ({approx}31 A ring ), there are two linear segments of photoemission for the samples with oxide of 45 A ring . The onset of strain localization corresponds to the intersection point of two linear segments, usually at a strain of 0.08-0.20. A constitutive model incorporating microstructure evolution and work hardening during tensile deformation is proposed to qualitatively interpret the growth of the photoemission as a function of strain. Photoemissions from various alloys are interpreted in the light of surface treatment, work function, composition, and microstructural development during deformation.

  18. Angular momentum-induced delays in solid-state photoemission enhanced by intra-atomic interactions.

    PubMed

    Siek, Fabian; Neb, Sergej; Bartz, Peter; Hensen, Matthias; Strüber, Christian; Fiechter, Sebastian; Torrent-Sucarrat, Miquel; Silkin, Vyacheslav M; Krasovskii, Eugene E; Kabachnik, Nikolay M; Fritzsche, Stephan; Muiño, Ricardo Díez; Echenique, Pedro M; Kazansky, Andrey K; Müller, Norbert; Pfeiffer, Walter; Heinzmann, Ulrich

    2017-09-22

    Attosecond time-resolved photoemission spectroscopy reveals that photoemission from solids is not yet fully understood. The relative emission delays between four photoemission channels measured for the van der Waals crystal tungsten diselenide (WSe2) can only be explained by accounting for both propagation and intra-atomic delays. The intra-atomic delay depends on the angular momentum of the initial localized state and is determined by intra-atomic interactions. For the studied case of WSe2, the photoemission events are time ordered with rising initial-state angular momentum. Including intra-atomic electron-electron interaction and angular momentum of the initial localized state yields excellent agreement between theory and experiment. This has required a revision of existing models for solid-state photoemission, and thus, attosecond time-resolved photoemission from solids provides important benchmarks for improved future photoemission models. Copyright © 2017 The Authors, some rights reserved; exclusive licensee American Association for the Advancement of Science. No claim to original U.S. Government Works.

  19. On the number, binding energies, and mutual intensities of Ce3d peaks in the XPS analysis of cerium oxide systems: A response to Murugan et al., Superlatt. Microstruct. 85 (2015) 321

    NASA Astrophysics Data System (ADS)

    Paparazzo, Ernesto

    2017-05-01

    I discuss on an XPS analysis of CeO2 thin films offered by Murugan et al. in a recent article, Superlatt. Microstruct. 85 (2015) 321. I argue that the authors' interpretation is not an accurate picture of the chemical composition of their material, especially not the mapping of the Ce(IV)-Ce(III) redox couple, because such interpretation largely overlooks the quantum mechanics principles and electron correlation phenomena that govern the binding energies and mutual intensities of photoemission peaks in the Ce3d spectrum. I propose that the spectral feature that the authors observe at ∼522 eV on the binding energy scale is not the O1s component of lattice cerium oxide, as the authors infer, but the AlKα3,4-related satellite of the AlKα1,2 - excited O1s peak, which they observe at ∼532.5 eV.

  20. X-ray photoemission spectroscopy analysis of N-containing carbon-based cathode catalysts for polymer electrolyte fuel cells

    NASA Astrophysics Data System (ADS)

    Niwa, Hideharu; Kobayashi, Masaki; Horiba, Koji; Harada, Yoshihisa; Oshima, Masaharu; Terakura, Kiyoyuki; Ikeda, Takashi; Koshigoe, Yuka; Ozaki, Jun-ichi; Miyata, Seizo; Ueda, Shigenori; Yamashita, Yoshiyuki; Yoshikawa, Hideki; Kobayashi, Keisuke

    We report on the electronic structure of three different types of N-containing carbon-based cathode catalysts for polymer electrolyte fuel cells observed by hard X-ray photoemission spectroscopy. Prepared samples are derived from: (1) melamine and poly(furfuryl alcohol), (2) nitrogen-doped carbon black and (3) cobalt phthalocyanine and phenolic resin. C 1 s spectra show the importance of sp 2 carbon network formation for the oxygen reduction reaction (ORR) activity. N 1 s spectra of the carbon-based cathode catalysts are decomposed into four components identified as pyridine-like, pyrrole- or cyanide-like, graphite-like, and oxide nitrogen. Samples having high oxygen reduction reaction activity in terms of oxygen reduction potential contain high concentration of graphite-like nitrogen. O 1 s spectra are similar among carbon-based cathode catalysts of different oxygen reduction reaction activity. There is no correlation between the ORR activity and oxygen content. Based on a quantitative analysis of our results, the oxygen reduction reaction activity of the carbon-based cathode catalysts will be improved by increasing concentration of graphite-like nitrogen in a developed sp 2 carbon network.

  1. Delayed photo-emission model for beam optics codes

    DOE PAGES

    Jensen, Kevin L.; Petillo, John J.; Panagos, Dimitrios N.; ...

    2016-11-22

    Future advanced light sources and x-ray Free Electron Lasers require fast response from the photocathode to enable short electron pulse durations as well as pulse shaping, and so the ability to model delays in emission is needed for beam optics codes. The development of a time-dependent emission model accounting for delayed photoemission due to transport and scattering is given, and its inclusion in the Particle-in-Cell code MICHELLE results in changes to the pulse shape that are described. Furthermore, the model is applied to pulse elongation of a bunch traversing an rf injector, and to the smoothing of laser jitter onmore » a short pulse.« less

  2. Photoemission Electron Microscopy as a Tool for Studying Steel Grains

    NASA Astrophysics Data System (ADS)

    Roese, Peter; Keutner, Christoph; Berges, Ulf; Espeter, Philipp; Westphal, Carsten

    2017-03-01

    Key properties of steel like stability, weldability, or ability for absorbing deformation energy are defined by their grain structure. The knowledge about their micrometer and submicrometer structure is of particular interest for tailor-cut macroscopic steel properties. We report on photoemission electron microscopy studies which in principle yield a higher magnification than comparable optical techniques. A flat surface without any topographic features was obtained by applying a non-etching preparation procedure. PEEM images showed very tiny phase islands embedded within a steel phase matrix. Furthermore, we developed an analysis procedure for PEEM images for dual-phase steels. As a result, it is possible to identify the individual work functions of different steel phases at the surface.

  3. Electric field stimulation setup for photoemission electron microscopes

    SciTech Connect

    Buzzi, M.; Vaz, C. A. F.; Raabe, J.; Nolting, F.

    2015-08-15

    Manipulating magnetisation by the application of an electric field in magnetoelectric multiferroics represents a timely issue due to the potential applications in low power electronics and the novel physics involved. Thanks to its element sensitivity and high spatial resolution, X-ray photoemission electron microscopy is a uniquely suited technique for the investigation of magnetoelectric coupling in multiferroic materials. In this work, we present a setup that allows for the application of in situ electric and magnetic fields while the sample is analysed in the microscope. As an example of the performances of the setup, we present measurements on Ni/Pb(Mg{sub 0.66}Nb{sub 0.33})O{sub 3}-PbTiO{sub 3} and La{sub 0.7}Sr{sub 0.3}MnO{sub 3}/PMN-PT artificial multiferroic nanostructures.

  4. Photoemission characteristics of thin GaAs-based heterojunction photocathodes

    SciTech Connect

    Feng, Cheng; Zhang, Yijun Qian, Yunsheng; Shi, Feng; Zou, Jijun; Zeng, Yugang

    2015-01-14

    To better understand the different photoemission mechanism of thin heterojunction photocathodes, the quantum efficiency models of reflection-mode and transmission-mode GaAs-based heterojunction photocathodes are revised based on one-dimensional continuity equations, wherein photoelectrons generated from both the emission layer and buffer layer are taken into account. By comparison of simulated results between the revised and conventional models, it is found that the electron contribution from the buffer layer to shortwave quantum efficiency is closely related to some factors, such as the thicknesses of emission layer and buffer layer and the interface recombination velocity. Besides, the experimental quantum efficiency data of reflection-mode and transmission-mode AlGaAs/GaAs photocathodes are well fitted to the revised models, which confirm the applicability of the revised quantum efficiency models.

  5. Electric field stimulation setup for photoemission electron microscopes.

    PubMed

    Buzzi, M; Vaz, C A F; Raabe, J; Nolting, F

    2015-08-01

    Manipulating magnetisation by the application of an electric field in magnetoelectric multiferroics represents a timely issue due to the potential applications in low power electronics and the novel physics involved. Thanks to its element sensitivity and high spatial resolution, X-ray photoemission electron microscopy is a uniquely suited technique for the investigation of magnetoelectric coupling in multiferroic materials. In this work, we present a setup that allows for the application of in situ electric and magnetic fields while the sample is analysed in the microscope. As an example of the performances of the setup, we present measurements on Ni/Pb(Mg(0.66)Nb(0.33))O3-PbTiO3 and La(0.7)Sr(0.3)MnO3/PMN-PT artificial multiferroic nanostructures.

  6. Photoemission Electron Microscopy as a Tool for Studying Steel Grains

    NASA Astrophysics Data System (ADS)

    Roese, Peter; Keutner, Christoph; Berges, Ulf; Espeter, Philipp; Westphal, Carsten

    2017-01-01

    Key properties of steel like stability, weldability, or ability for absorbing deformation energy are defined by their grain structure. The knowledge about their micrometer and submicrometer structure is of particular interest for tailor-cut macroscopic steel properties. We report on photoemission electron microscopy studies which in principle yield a higher magnification than comparable optical techniques. A flat surface without any topographic features was obtained by applying a non-etching preparation procedure. PEEM images showed very tiny phase islands embedded within a steel phase matrix. Furthermore, we developed an analysis procedure for PEEM images for dual-phase steels. As a result, it is possible to identify the individual work functions of different steel phases at the surface.

  7. Electric field stimulation setup for photoemission electron microscopes

    NASA Astrophysics Data System (ADS)

    Buzzi, M.; Vaz, C. A. F.; Raabe, J.; Nolting, F.

    2015-08-01

    Manipulating magnetisation by the application of an electric field in magnetoelectric multiferroics represents a timely issue due to the potential applications in low power electronics and the novel physics involved. Thanks to its element sensitivity and high spatial resolution, X-ray photoemission electron microscopy is a uniquely suited technique for the investigation of magnetoelectric coupling in multiferroic materials. In this work, we present a setup that allows for the application of in situ electric and magnetic fields while the sample is analysed in the microscope. As an example of the performances of the setup, we present measurements on Ni/Pb(Mg0.66Nb0.33)O3-PbTiO3 and La0.7Sr0.3MnO3/PMN-PT artificial multiferroic nanostructures.

  8. heterojunction interface investigated by X-ray photoemission spectroscopy

    NASA Astrophysics Data System (ADS)

    Lin, Lingyan; Yu, Jinling; Cheng, Shuying; Lu, Peimin; Lai, Yunfeng; Lin, Sile; Zhao, Pengyi

    2014-09-01

    The band alignment at the In2S3/Cu2ZnSnS4 heterojunction interface is investigated by X-ray photoemission spectroscopy. In2S3 is thermally evaporated onto the contamination-free polycrystalline Cu2ZnSnS4 surface prepared by magnetron sputtering. The valence band offset is measured to be 0.46 ± 0.1 eV, which matches well with the valance band offset value 0.49 eV calculated using "transitivity" method. The conduction band offset is determined to be 0.82 ± 0.1 eV, indicating a `type I' band alignment at the heterojunction interface.

  9. Widespread spin polarization effects in photoemission from topological insulators

    SciTech Connect

    Jozwiak, C.; Chen, Y. L.; Fedorov, A. V.; Analytis, J. G.; Rotundu, C. R.; Schmid, A. K.; Denlinger, J. D.; Chuang, Y.-D.; Lee, D.-H.; Fisher, I. R.; Birgeneau, R. J.; Shen, Z.-X.; Hussain, Z.; Lanzara, A.

    2011-06-22

    High-resolution spin- and angle-resolved photoemission spectroscopy (spin-ARPES) was performed on the three-dimensional topological insulator Bi{sub 2}Se{sub 3} using a recently developed high-efficiency spectrometer. The topological surface state's helical spin structure is observed, in agreement with theoretical prediction. Spin textures of both chiralities, at energies above and below the Dirac point, are observed, and the spin structure is found to persist at room temperature. The measurements reveal additional unexpected spin polarization effects, which also originate from the spin-orbit interaction, but are well differentiated from topological physics by contrasting momentum and photon energy and polarization dependencies. These observations demonstrate significant deviations of photoelectron and quasiparticle spin polarizations. Our findings illustrate the inherent complexity of spin-resolved ARPES and demonstrate key considerations for interpreting experimental results.

  10. Photoemission microscopy from magnetically coupled thin-film systems

    NASA Astrophysics Data System (ADS)

    Schneider, C. M.; de Haas, O.; Muschiol, U.; Cramer, N.; Oelsner, A.; Klais, M.; Schmidt, O.; Fecher, G. H.; Jark, W.; Schönhense, G.

    2001-07-01

    The magnetic microstructure and magnetic coupling phenomena in thin-film systems, relevant for applications in magneto-electronics, are investigated by means of photoemission electron microscopy. Element-selective magnetic information is obtained by exploiting magnetic circular dichroism in the soft X-ray regime. The domain shape and sizes found at the surface of antiferromagnetically coupled metallic multilayers indicate the presence of a ferromagnetic coupling contribution, presumably caused by a build-up of roughness during the growth process. The magnetic domain patterns in FeNi microstructures on sputtered NiO films reflect the presence of a local exchange anisotropy, causing the phenomenon of exchange biasing or pinning of the ferromagnetic layer.

  11. XPS studies and photocurrent applications of alkali-metals-doped ZnO nanoparticles under visible illumination conditions

    NASA Astrophysics Data System (ADS)

    Saáedi, Abdolhossein; Yousefi, Ramin; Jamali-Sheini, Farid; Zak, Ali Khorsand; Cheraghizade, Mohsen; Mahmoudian, M. R.; Baghchesara, Mohammad Amin; Dezaki, Abbas Shirmardi

    2016-05-01

    The present work is a study about a relationship between X-ray photoelectron spectrometer (XPS) results and photocurrent intensity of alkali-metals-elements doped ZnO nanoparticles, which is carried out under visible illumination conditions. The nanoparticles were synthesized by a simple sol-gel method. Structure and morphology studies of the NPs were carried out by X-ray diffraction analysis (XRD) and transmission electron microscopy (TEM). The effect of doping on the optical band-gap was investigated by using UV-visible spectrometer. The absorption peak of the doped ZnO NPs was red-shifted with respect to that of the undoped ZnO NPs. After that, the photocurrent application of the products was examined under a white light source at 2 V bias. The photocurrent results showed that, the current intensity of the ZnO NPs was increased by doping materials. However, K-doped ZnO NPs showed the highest photocurrent intensity. Finally, a discussion was carried out about the obtained photocurrent results by the O-1s spectra of the XPS of the samples. Our results suggest that the alkali-metals-doped ZnO NPs exhibit considerable promise for highly sensitive visible-light photodetectors.

  12. Differentiation of Calcium Carbonate Polymorphs by Surface Analysis Techniques – An XPS and TOF-SIMS study

    PubMed Central

    Ni, Ming; Ratner, Buddy D.

    2013-01-01

    Calcium carbonate has evoked interest owing to its use as a biomaterial, and for its potential in biomineralization. Three polymorphs of calcium carbonate, i.e. calcite, aragonite, and vaterite were synthesized. Three conventional bulk analysis techniques, Fourier transform infrared (FTIR), X-ray diffraction (XRD), and SEM, were used to confirm the crystal phase of each polymorphic calcium carbonate. Two surface analysis techniques, X-ray photoelectron spectroscopy (XPS) and time-of-flight secondary ion mass spectroscopy (TOF-SIMS), were used to differentiate the surfaces of these three polymorphs of calcium carbonate. XPS results clearly demonstrate that the surfaces of these three polymorphs are different as seen in the Ca(2p) and O(1s) core-level spectra. The different atomic arrangement in the crystal lattice, which provides for a different chemical environment, can explain this surface difference. Principal component analysis (PCA) was used to analyze the TOF-SIMS data. Three polymorphs of calcium carbonate cluster into three different groups by PCA scores. This suggests that surface analysis techniques are as powerful as conventional bulk analysis to discriminate calcium carbonate polymorphs. PMID:25031482

  13. Photoemission from solids: the transition from solid-state to atomic physics

    SciTech Connect

    Shirley, D.A.

    1980-08-01

    As the photon energy is increased, photoemission from solids undergoes a slow transition from solid-state to atomic behavior. However, throughout the energy range h..nu.. = 10 to 1000 eV or higher both types of phenomena are present. Thus angle-resolved photoemission can only be understood quantitatively if each experimenter recognizes the presence of band-structure, photoelectron diffraction, and photoelectron asymmetry effects. The quest for this understanding will build some interesting bridges between solid-state and atomic physics and should also yield important new insights about the phenomena associated with photoemission.

  14. Two-photon photoemission from metals induced by picosecond laser pulses

    NASA Technical Reports Server (NTRS)

    Bechtel, J. H.; Smith, W. L.; Bloembergen, N.

    1977-01-01

    We have measured the two-photon photoemission current density from tungsten, tantalum, and molybdenum when irradiated by 532-nm wavelength radiation. This wavelength was produced by the second-harmonic radiation of single picosecond laser pulses from a mode-locked neodymium-doped yttrium-aluminum-garnet laser. The results are interpreted in terms of both a simple temperature-independent two-photon photoemission effect and a generalization of the Fowler-DuBridge theory of photoemission. The laser polarization dependence of the emitted current is also reported.

  15. Particle and phase thicknesses from XPS analysis of supported bimetallic catalysts: Calcined Co-Rh/Nb{sub 2}O{sub 5}

    SciTech Connect

    Frydman, A. |; Castner, D.G.; Campbell, C.T.

    1995-03-01

    The surface structure and elemental composition of a series of calcined Co-Rh/Nb{sub 2}O{sub 5} bimetallic catalysts have been investigated using X-ray photoelectron spectroscopy (XPS) and temperature-programmed reduction (TPR). New formulae for the quantitative analysis of XPS intensities for supported bimetallic catalysts involving up to three separate, layered phases on spherical support particles are used for the first time. These apply an average take-off angle for photoelectrons from spherical particles whose radii are large compared to the electron attenuation length. Calcined monometallic Co/Nb{sub 2}O{sub 5} and Rh/Nb{sub 2}O{sub 5}, and four calcined bimetallic Co-Rh/Nb{sub 2}O{sub 5} catalysts with similar Co loadings ({approx} 1.9 wt%) and variable Rh loadings (0.3 to 2.3 wt%) were examined. Reference spectra for pure CoNb{sub 2}O{sub 6} (columbite) are also presented here for the first time. The catalysts were prepared by incipient wetness impregnation and calcined at 673 K to generate the oxide precursors. The XPS lineshapes and the Co (2p) spin-orbit splitting indicated the presence of two Co species, Co{sub 3}O{sub 4} and CO{sup +2}, on all calcined Co-containing catalysts. The measured XPS Co/Nb and Rh/Nb atomic ratios for the catalysts were factors of 1.5-2 and 2-4.5, respectively, greater than the bulk atomic ratios, showing that both Co and Rh oxides were surface-enriched. The measured XPS peak intensities were compared to the values predicted from several different structural models of the oxide particles.

  16. Thermally Evaporated Iron (Oxide) on an Alumina Barrier Layer, by XPS

    SciTech Connect

    Madaan, Nitesh; Kanyal, Supriya S.; Jensen, David S.; Vail, Michael A.; Dadson, Andrew; Engelhard, Mark H.; Linford, Matthew R.

    2013-09-06

    We report the XPS characterization of a thermally evaporated iron thin film (6 nm) deposited on an Si/SiO_2/Al_2O_3 substrate using Al Ka X-rays. An XPS survey spectrum, narrow Fe 2p scan, narrow O 1s, and valence band scan are shown.

  17. XPS study of the hematite-aqueous solution interface

    SciTech Connect

    Shchukarev, Andrei; Boily, Jean F.

    2008-04-01

    The electric double layer at the surface of micrometer-sized hematite platelets dominated by the basal {001} and the edge {012} planes was investigated using the cryogenic XPS technique. Thoroughly dialysed hematite suspensions revealed the presence of surface-bound sodium (2.2 at. %) and chloride (0.4 at. %). Suspensions in 10 mM and 100 mM NaCl revealed additional uptake of sodium and chloride. The Na/Cl atomic ratio follows the pH dependence found with previous studies of goethite, manganite and gibbsite. An excess of Cl- was demonstrated at positively charged hematite surface, and Na+ at negatively charged surfaces. The surface coverage of electrolyte ions was also shown to play an important role on the presence of water at the interface. At low ionic strength the water content was about of 10 at. %, yielding a water/counter-ions atomic ratio of about 3-6, depending on pH. At 100 mM NaCl, however, the large atomic concentrations of sodium and chloride resulted in a water content of about 25 at. %, nonetheless yielding a water/counter-ion atomic ratio about 1. The presence of 100 mM CsCl, on the other hand, yielded the same amount of surface-bound water as in 10 mM NaCl due to a lower surface coverage for Cs and to its weaker affinity for water. Finally, a non-equilibrated hematite sample at pH 4 enabled a description the formation of the electric double layer upon addition of 100 mM NaCl to an electrolyte-free suspension

  18. XPS chemical analysis of tholins: the oxygen contamination

    NASA Astrophysics Data System (ADS)

    Carrasco, N.; Jomard, F.; Vigneron, J.; Cernogora, G.

    2013-12-01

    In Titan's atmosphere, solid organic aerosols are initiated in the upper atmosphere by the photo-dissociation and photo-ionization of N2 and CH4. In order to simulate this complex chemistry several experimental setups have been built, among them plasma experiments. The aerosol analogues produced in such plasma discharges contain oxygen, as a few percents of the elemental composition, despite the absence of oxygen source in the reactive medium [1]. The present study aims at studying the origin of such systematic oxygen incorporation in tholins. A low pressure (0.9mbar) RF CCP discharge is used described in [2]. Gas mixtures of N2 and CH4 (from 1 to 10% of CH4) are injected continuously. The plasma discharge leads to the production of analogues of Titan's atmospheric aerosols: both as grains in the volume [1] and as thin films on the surface of the reactor [3]. SiO2 substrates of 1cm diameter and 1mm thickness are placed on the grounded electrode of the discharge. Organic films are deposited during 2 hours in order to have films thickness less than 1μm. After the two hours, samples are recovered at ambient air for ex-situ analysis. Two complementary analyses are performed to analyse the thin film chemical composition: XPS and SIMS, in order to probe both the surface and depth profile. References [1] Sciamma-O'brien E., Carrasco N., Szopa C., Buch A., Cernogora G. Icarus 209, 2 (2010) 704-714 [2] Alcouffe G., Cavarroc M., Cernogora G., Ouni F., Jolly A., Boufendi L., Szopa C. Plasma Sources Science and Technology 19, 1 (2010) 015008 (11pp) [3] Mahjoub A., Carrasco N., Dahoo P.-R., Gautier T., Szopa C., Cernogora G. Icarus 221, 2 (2012) 670-677.

  19. Evaluation Metrics for the Paragon XP/S-15

    NASA Technical Reports Server (NTRS)

    Traversat, Bernard; McNab, David; Nitzberg, Bill; Fineberg, Sam; Blaylock, Bruce T. (Technical Monitor)

    1993-01-01

    On February 17th 1993, the Numerical Aerodynamic Simulation (NAS) facility located at the NASA Ames Research Center installed a 224 node Intel Paragon XP/S-15 system. After its installation, the Paragon was found to be in a very immature state and was unable to support a NAS users' workload, composed of a wide range of development and production activities. As a first step towards addressing this problem, we implemented a set of metrics to objectively monitor the system as operating system and hardware upgrades were installed. The metrics were designed to measure four aspects of the system that we consider essential to support our workload: availability, utilization, functionality, and performance. This report presents the metrics collected from February 1993 to August 1993. Since its installation, the Paragon availability has improved from a low of 15% uptime to a high of 80%, while its utilization has remained low. Functionality and performance have improved from merely running one of the NAS Parallel Benchmarks to running all of them faster (between 1 and 2 times) than on the iPSC/860. In spite of the progress accomplished, fundamental limitations of the Paragon operating system are restricting the Paragon from supporting the NAS workload. The maximum operating system message passing (NORMA IPC) bandwidth was measured at 11 Mbytes/s, well below the peak hardware bandwidth (175 Mbytes/s), limiting overall virtual memory and Unix services (i.e. Disk and HiPPI I/O) performance. The high NX application message passing latency (184 microns), three times than on the iPSC/860, was found to significantly degrade performance of applications relying on small message sizes. The amount of memory available for an application was found to be approximately 10 Mbytes per node, indicating that the OS is taking more space than anticipated (6 Mbytes per node).

  20. XPS and AFM Study of GaAs Surface Treatment

    SciTech Connect

    Contreras-Guerrero, R.; Wallace, R. M.; Aguirre-Francisco, S.; Herrera-Gomez, A.; Lopez-Lopez, M.

    2008-11-13

    Obtaining smooth and atomically clean surfaces is an important step in the preparation of a surface for device manufacturing. In this work different processes are evaluated for cleaning a GaAs surface. A good surface cleaning treatment is that which provides a high level of uniformity and controllability of the surface. Different techniques are useful as cleaning treatments depending on the growth process to be used. The goal is to remove the oxygen and carbon contaminants and then form a thin oxide film to protect the surface, which is easy to remove later with thermal desorption mechanism like molecular beam epitaxy (MBE) with minimal impact to the surface. In this study, atomic force microscopy (AFM), x-ray photoelectron spectroscopy (XPS) and secondary ion mass spectrometry (SIMS) were used to characterize the structure of the surface, the composition, as well as detect oxygen and carbon contaminant on the GaAs surface. This study consists in two parts. The first part the surface was subjected to different chemical treatments. The chemical solutions were: (a)H{sub 2}SO{sub 4}:H{sub 2}O{sub 2}:H{sub 2}O(4:1:100), (b) HCl: H{sub 2}O(1:3), (c)NH{sub 4}OH 29%. The treatments (a) and (b) reduced the oxygen on the surface. Treatment (c) reduces carbon contamination. In the second part we made MOS devices on the surfaces treated. They were characterized by CV and IV electrical measurements. They show frequency dispersion.

  1. XPS Protocol for the Characterization of Pristine and Functionalized Single Wall Carbon Nanotubes

    NASA Technical Reports Server (NTRS)

    Sosa, E. D.; Allada, R.; Huffman, C. B.; Arepalli, S.

    2009-01-01

    Recent interest in developing new applications for carbon nanotubes (CNT) has fueled the need to use accurate macroscopic and nanoscopic techniques to characterize and understand their chemistry. X-ray photoelectron spectroscopy (XPS) has proved to be a useful analytical tool for nanoscale surface characterization of materials including carbon nanotubes. Recent nanotechnology research at NASA Johnson Space Center (NASA-JSC) helped to establish a characterization protocol for quality assessment for single wall carbon nanotubes (SWCNTs). Here, a review of some of the major factors of the XPS technique that can influence the quality of analytical data, suggestions for methods to maximize the quality of data obtained by XPS, and the development of a protocol for XPS characterization as a complementary technique for analyzing the purity and surface characteristics of SWCNTs is presented. The XPS protocol is then applied to a number of experiments including impurity analysis and the study of chemical modifications for SWCNTs.

  2. Morphology and Chemical Composition of soot particles emitted by Wood-burning Cook-Stoves: a HRTEM, XPS and Elastic backscattering Studies.

    NASA Astrophysics Data System (ADS)

    Carabali-Sandoval, G. A., Sr.; Castro, T.; Peralta, O.; De la Cruz, W.; Días, J.; Amelines, O.; Rivera-Hernández, M.; Varela, A.; Muñoz-Muñoz, F.; Policroniades, R.; Murillo, G.; Moreno, E.

    2014-12-01

    The morphology, microstructure and the chemical composition on surface of soot particles were studied by using high resolution transmission electron microscopy (HRTEM), X-ray photoelectron spectroscopy (XPS) and elastic backscattering spectrometry. In order to obtain freshly soot particles emitted by home-made wood-burning cook stoves, copper grids for Transmission Electron Microscope (TEM) were placed on the last two of an 8-stages MOUDI cascade impactor. The analysis of HRTEM micrographs revealed the nanostructure and the particle size of soot particles. The XPS survey spectra show a large carbon peak around 285 eV and the oxygen signal at 533 eV. Some differences observed in the carbon/oxygen (C/O) ratio of the particles probably depend on the combustion process efficiency of each cook-stove analyzed. The C-1s XPS spectra show an asymmetric broad peak and other with low intensity that corresponds to sp2 and sp3hybridization, which were fitted with a convolution using Gaussian functions. Elastic backscattering technique allows a chemical elemental analysis of samples and confirms the presence of C, O and Si observed by XPS. Additionally, the morphological properties of soot aggregates were analyzed calculating the border-based fractal dimension (Df). Particles exhibit complex shapes with high values of Df. Also, real-time absorption (σabs) and scattering (σsct) coefficients of fine (with aerodynamic diameter < 2.5 µm) soot particles were measured. The trend in σabs and σsct indicate that the cooking process has two important combustion stages which varied in its flaming strength, being vigorous in the first stage and soft in the second one.

  3. Growth of ultra-thin FeO(100) films on Ag(100): A combined XPS, LEED and CEMS study

    NASA Astrophysics Data System (ADS)

    Abreu, G. J. P.; Paniago, R.; Pfannes, H.-D.

    2014-01-01

    The production and characterization of ultra-thin iron oxide films grown on an atomically clean Ag(100) surface by molecular beam epitaxy (MBE) is presented. The goal of this work was to prepare ultra-thin FeO(100) with excellent crystallographic quality. The films were prepared with high purity 57Fe and O2 and afterwards analyzed in situ by means of Low Energy Electron Diffraction (LEED), X-Ray Photoelectron Spectroscopy (XPS) and Conversion Electron Mössbauer Spectroscopy (CEMS). During preparation the evaporation rate, the O2 partial pressure, film thickness and annealing procedures were varied. The analysis of the various samples showed that in general a mixture of FeO and Fe3O4 phases is obtained. We determined the best conditions to produce the desired oxide (FeO). Besides the paramagnetic phase, the antiferromagnetic phase of the FeO films was characterized by low temperature Mössbauer spectra.

  4. Surface studies of solids using integral x-ray-induced photoemission yield

    DOE PAGES

    Stoupin, Stanislav; Zhernenkov, Mikhail; Shi, Bing

    2016-11-22

    X-ray induced photoemission yield contains structural information complementary to that provided by X-ray Fresnel reflectivity, which presents an advantage to a wide variety of surface studies if this information is made easily accessible. Photoemission in materials research is commonly acknowledged as a method with a probing depth limited by the escape depth of the photoelectrons. Here we show that the integral hard-X-ray-induced photoemission yield is modulated by the Fresnel reflectivity of a multilayer structure and carries structural information that extends well beyond the photoelectron escape depth. A simple electric self-detection of the integral photoemission yield and Fourier data analysis permitmore » 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.« less

  5. Surface studies of solids using integral x-ray-induced photoemission yield

    SciTech Connect

    Stoupin, Stanislav; Zhernenkov, Mikhail; Shi, Bing

    2016-11-22

    X-ray induced photoemission yield contains structural information complementary to that provided by X-ray Fresnel reflectivity, which presents an advantage to a wide variety of surface studies if this information is made easily accessible. Photoemission in materials research is commonly acknowledged as a method with a probing depth limited by the escape depth of the photoelectrons. Here we show that the integral hard-X-ray-induced photoemission yield is modulated by the Fresnel reflectivity of a multilayer structure and carries structural information that extends well beyond 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.

  6. Surface studies of solids using integral X-ray-induced photoemission yield

    PubMed Central

    Stoupin, Stanislav; Zhernenkov, Mikhail; Shi, Bing

    2016-01-01

    X-ray induced photoemission yield contains structural information complementary to that provided by X-ray Fresnel reflectivity, which presents an advantage to a wide variety of surface studies if this information is made easily accessible. Photoemission in materials research is commonly acknowledged as a method with a probing depth limited by the escape depth of the photoelectrons. Here we show that the integral hard-X-ray-induced photoemission yield is modulated by the Fresnel reflectivity of a multilayer structure and carries structural information that extends well beyond 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. PMID:27874041

  7. Predicting photoemission intensities and angular distributions with real-time density-functional theory

    NASA Astrophysics Data System (ADS)

    Dauth, M.; Kümmel, S.

    2016-02-01

    Photoemission spectroscopy is one of the most frequently used tools for characterizing the electronic structure of condensed matter systems. We discuss a scheme for simulating photoemission from finite systems based on time-dependent density-functional theory. It allows for the first-principles calculation of relative electron binding energies, ionization cross sections, and anisotropy parameters. We extract these photoemission spectroscopy observables from Kohn-Sham orbitals propagated in real time. We demonstrate that the approach is capable of estimating photoemission intensities, i.e., peak heights. It can also reliably predict the angular distribution of photoelectrons. For the example of benzene we contrast calculated angular distribution anisotropy parameters to experimental reference data. Self-interaction free Kohn-Sham theory yields meaningful outer valence single-particle states in the right energetic order. We discuss how to properly choose the complex absorbing potential that is used in the simulations.

  8. A direct Fe-O coordination at the FePc/MoO(x) interface investigated by XPS and NEXAFS spectroscopies.

    PubMed

    Liu, Lingyun; Zhang, Wenhua; Guo, Panpan; Wang, Kai; Wang, Jiaou; Qian, Haijie; Kurash, Ibrahim; Wang, Chia-Hsin; Yang, Yaw-Wen; Xu, Faqiang

    2015-02-07

    Molecule-substrate interaction plays a vital role in determining the electronic structures and charge transfer properties in organic-transition metal oxides (TMOs) hybridized devices. In this work, the interactions at the FePc/MoO3 interface has been investigated in detail by using synchrotron radiation photoemission spectroscopy (SRPES) and near-edge X-ray absorption fine structure (NEXAFS) spectroscopy. Compared with the annealing of the bare MoO3 film, the FePc adsorption is found to promote the thermal reduction of the underlying MoO3 film. XPS and NEXAFS experimental results unanimously demonstrate a strong electronic coupling between FePc molecules and the MoOx (x < 3) substrate. A direct Fe-O coordination at the interface as well as an electron transfer from the molecules toward the substrate is proposed. This strong coupling is compatible with a facile electron transfer from FePc molecules toward electrode through a MoOx interlayer. The understanding of the molecule-substrate interaction at the atomic level is of significance in engineering functionalized surfaces with potential applications in nanoscience, molecular electronics and photonics.

  9. Measuring the electronic structure of atomically uniform silver films grown on silicon using angle-resolved photoemission spectroscopy

    NASA Astrophysics Data System (ADS)

    Speer, Nathan James

    Electronic structures derived from Valence electrons in thin films and at surfaces are often much different from those of their bulk counter parts. When the film thickness is less than the electron-coherence length, the boundary conditions at the surface and interface can give rise to standing-wave-like quantum-well states. Electrons in these states are often described as particles in a box. Confinement in the perpendicular direction gives rise to a quantized band structure along the same direction, where the energy spacing is determined by the film thickness. Changing the film by a single atomic layer can cause properties derived from the band structure to vary like ˜ 1/N , where N is the number of monolayers. Recent advances in thin film techniques have made it possible to fabricate films with atomically uniform thickness. Because the electronic structure is a function of film thickness, such techniques are crucial to efforts for a comprehensive understanding of thin films. In this thesis, the electronic properties of atomically uniform Ag films grown on Si(111) substrates are studied using angle-resolved photoemission spectroscopy (ARPES). Using molecular beam epitaxy (MBE) deposition at low temperatures, we are able to fabricate atomically uniform, ultra-thin Ag films on Si substrates for the first time, and the electronic structures are measured using ARPES. The electrons in these uniform film systems have very long coherence lengths and occupy standing-wave-like quantum-well states that propagate through the film and, surprisingly, can reach deep into the substrate despite a lattice mismatched, incommensurate interface. This interaction with the substrate is so strong that it can produce an electronic interference pattern in the photoemission spectra. As the film thickness increases, the electronic structure evolves to form the bulk band continuum plus separates surfaces states. A careful analysis of this evolution allows us to separate surface from bulk

  10. Intermolecular energy-band dispersion in oriented thin films of bis(1,2,5-thiadiazolo)-p-quinobis(1,3-dithiole) by angle-resolved photoemission

    NASA Astrophysics Data System (ADS)

    Hasegawa, Shinji; Mori, Takehiko; Imaeda, Kenichi; Tanaka, Shoji; Yamashita, Yoshiro; Inokuchi, Hiroo; Fujimoto, Hitoshi; Seki, Kazuhiko; Ueno, Nobuo

    1994-05-01

    Angle-resolved ultraviolet photoemission spectra using synchrotron radiation were measured for oriented thin films of bis(1,2,5-thiadiazolo)-p-quinobis(1,3-dithiole) (BTQBT) on graphite. From the photon energy dependence of normal emission spectra, the energy-band dispersion of π-bands were observed for the highest (HOMO) and next highest (NHOMO) bands. This is the first observation of intermolecular dispersion in a single-component organic molecular crystal. The results demonstrate that the BTQBT molecules have a strong intermolecular interaction, which can be derived from the introduction of a covalent interaction between sulfur atoms in addition to the usual intermolecular interaction by van der Waals forces.

  11. Core-Exciton Decay in Photoemission and the Nonmetal - Transition.

    NASA Astrophysics Data System (ADS)

    Zhang, Jiandi

    Ultra thin films or overlayers of materials, normally metallic in the bulk case, can exhibit nonmetallic characters. Typically, these systems undergo a nonmetal-to-metal transition with changing film density, crystalline structure, or thickness. The purpose of this thesis is to identify this electronic phase transition and to investigate the corresponding fundamental mechanisms by studying the detailed electronic structure. In particular, I attempted to look at the evolution of electronic structure in films undergoing this transition. The core -exciton decay in the resonant photoemission was probed, from both theoretical and experimental points of view, to correlate with the change of film metallicity. Resonant photoemission, combining with normal photoemission, was found to be a sensitive and successful method to identify the overlayer nonmetal-metal transition, both from static and dynamic pictures. In most of this work, we concentrate on the studies of the evolution of electronic structure of ultra thin films of divalent metals, on different crystalline surfaces. The formation of new Hg electronic states arising from the electron orbital hybridization between adjacent adatoms, the formation of quantum well states in the overlayers, and the evolution of mercury shape resonance due to 5d to epsilonf excitation, all provide indications of when mercury overlayers undergo a nonmetal to metal transition. This transition has been found to be associated the changes in adatom coordination number. On both Cu(100) and W(110), the interactions between the Hg adatoms and the substrates are very weak and the surface bonding is more like covalent bonding at low coverages. The Hg overlayers on these two surfaces resembles free-standing layers, and the metallicity of the overlayers is largely determined by the nearest neighbor interactions of Hg adatoms. Comparing Hg overlayers on Ni(111) where there exists a nonmetal to metal transition caused by the structure phase transition

  12. XPS determination of Mn oxidation states in Mn (hydr)oxides

    NASA Astrophysics Data System (ADS)

    Ilton, Eugene S.; Post, Jeffrey E.; Heaney, Peter J.; Ling, Florence T.; Kerisit, Sebastien N.

    2016-03-01

    Hydrous manganese oxides are an important class of minerals that help regulate the geochemical redox cycle in near-surface environments and are also considered to be promising catalysts for energy applications such as the oxidation of water. A complete characterization of these minerals is required to better understand their catalytic and redox activity. In this contribution an empirical methodology using X-ray photoelectron spectroscopy (XPS) is developed to quantify the oxidation state of hydrous multivalent manganese oxides with an emphasis on birnessite, a layered structure that occurs commonly in soils but is also the oxidized endmember in biomimetic water-oxidation catalysts. The Mn2p3/2, Mn3p, and Mn3s lines of near monovalent Mn(II), Mn(III), and Mn(IV) oxides were fit with component peaks; after the best fit was obtained the relative widths, heights and binding energies of the components were fixed. Unknown multivalent samples were fit such that binding energies, intensities, and peak-widths of each oxidation state, composed of a packet of correlated component peaks, were allowed to vary. Peak-widths were constrained to maintain the difference between the standards. Both average and individual mole fraction oxidation states for all three energy levels were strongly correlated, with close agreement between Mn3s and Mn3p analyses, whereas calculations based on the Mn2p3/2 spectra gave systematically more reduced results. Limited stoichiometric analyses were consistent with Mn3p and Mn3s. Further, evidence indicates the shape of the Mn3p line was less sensitive to the bonding environment than that for Mn2p. Consequently, fitting the Mn3p and Mn3s lines yielded robust quantification of oxidation states over a range of Mn (hydr)oxide phases. In contrast, a common method for determining oxidation states that utilizes the multiplet splitting of the Mn3s line was found to be not appropriate for birnessites.

  13. High-energy photoemission studies of oxide interfaces

    NASA Astrophysics Data System (ADS)

    Claessen, Ralph

    2015-03-01

    The interfaces of complex oxide heterostructures can host novel quantum phases not existing in the bulk of the constituents, with the high-mobility 2D electron system (2DES) in LaAlO3/SrTiO3 (LAO/STO) representing a prominent example. Despite extensive research the origin of the 2DES and its unusual properties - including the supposed coexistence of superconductivity and ferromagnetism - are still a matter of intense debate. Photoelectron spectroscopy, recently extended into the soft (SX-ARPES) and hard (HAXPES) X-ray regime, is a powerful method to provide detailed insight into the electronic structure of these heterostructures and, in particular, of the buried interface. This includes the identification of the orbital character of the 2DES as well as the determination of vital band structure information, such as band alignment, band bending, and even k-resolved band dispersions and Fermi surface topology. Moreover, resonant photoemission at the Ti L-edge reveals the existence of two different species of Ti 3d states, localized and itinerant, which can be distinguished and identified by their different resonance behavior. The role of oxygen vacancies is studied by controlled in-situ oxidation, which allows us to vary the composition from fully stoichiometric to strongly O-deficient. By comparison to free STO surfaces we can thus demonstrate that the metallicity of the heteointerfaces is intrinsic, i . e . it persists even in the absence of O defects. I will discuss our photoemission results on LAO/STO heterostructures in both (100) and (111) orientation as well as on the related system γ-Al2O3/STO(100), which also hosts a 2DES with an even higher mobility. Work in collaboration with J. Mannhart (MPI-FKF, Stuttgart), N. Pryds (TU Denmark), G. Rijnders (U Twente), S. Suga (U Osaka), M. Giorgoi (BESSY, HZB), W. Drube (DESY Photon Science), V.N. Strocov (Swiss Light Source), J. Denlinger (Advanced Light Source, LBNL), and T.-L. Lee (Diamond Light Source). Support by

  14. A Technique for Calculation of Shell Thicknesses for Core-Shell-Shell Nanoparticles from XPS Data

    PubMed Central

    Cant, David J. H.; Wang, Yung-Chen; Castner, David G.; Shard, Alexander G.

    2016-01-01

    This paper extends a straightforward technique for the calculation of shell thicknesses in core-shell nanoparticles to the case of core-shell-shell nanoparticles using X-ray Photoelectron Spectroscopy (XPS) data. This method can be applied by XPS analysts and does not require any numerical simulation or advanced knowledge, although iteration is required in the case where both shell thicknesses are unknown. The standard deviation in the calculated thicknesses vs simulated values is typically less than 10%, which is the uncertainty of the electron attenuation lengths used in XPS analysis. PMID:27087712

  15. XPS and STEM studies of Allende acid insoluble residues

    NASA Technical Reports Server (NTRS)

    Housley, R. M.; Clarke, D. R.

    1980-01-01

    Data on Allende acid residues obtained both before and after etching with hot HNO3 are presented. X-ray photoelectron spectra show predominantly carbonaceous material plus Fe-deficient chromite in both cases. The HNO3 oxidizes the carbonaceous material to some extent. The small chromites in these residues have a wide range of compositions somewhat paralleling those observed in larger Allende chromites and in Murchison chromites, especially in the high Al contents; however, they are deficient in divalent cations, which makes them metastable and indicates that they must have formed at relatively low temperatures. It is suggested that they formed by precipitation of Cr(3+) and Fe(3+) from olivine at low temperature or during rapid cooling.

  16. A soft x-ray photoemission study of the chemisorption and reaction of diethylsilane on Si(100)

    SciTech Connect

    Lapiano-Smith, D.A.; Himpsel, F.J.; Terminello, L.J.

    1993-06-01

    Soft x-ray synchrotron radiation was utilized as the excitation source in a high-resolution photoemission experiment on chemisorption and subsequent reaction of diethylsilane on the Si(100) surface. We have found that diethylsilane chemisorbs dissociatively to form Si-CH{sub 2}CH{sub 3} surface species on Si(100) following a room temperature exposure. These species are identified by two very sharp peaks observed in the valence band spectra positioned at 17.9 and 14.3 eV binding energy. In addition, C 1s core level spectra, measured following exposures of Si(100) substrates as a function of surface temperature, show that carbon, in some form, exists on the Si surface following exposures at every temperature from room temperature to about 600C. While only {minus}CH{sub 2}CH{sub 3}, ethyl groups are observed on the surface at room temperature, these species appear to partially dehydrogenate at 300C, producing a mixture of {minus}CH{sub 2}CH{sub 3} groups and other intermediate carbonaceous species. At a growth temperature of about 400C the intermixing of elemental carbon with Si begins. At higher temperatures, we observe the continued degradation of diethylsilane to produce a Si + C alloy on the surface at 600C. Results indicate that diethylsilane has potential as a molecular precursor for SiC formation by chemical vapor deposition techniques.

  17. Photoemission studies using femtosecond pulses for high brightness electron beams

    NASA Astrophysics Data System (ADS)

    Srinivasan-Rao, T.; Tsang, T.; Fischer, J.

    1990-06-01

    We present the results of a series of experiments where various metal photocathodes are irradiated with ultrashort laser pulses, whose characteristics are: (lambda) = 625 nm, (tau) = 100 fs, PRR = 89.5 MHz, H(nu) = 2 eV and average power 25 mW in each of the two beams. The quantum efficiency of the metals range from approximately 10(exp -12) to 10(exp -8) at a power density of 100 MW/sq cm at normal incidence. Since all the electrons are emitted due to multiphoton processes, these efficiencies are expected to increase substantially at large intensities. The efficiency at 100 MW/sq cm was increased by using p-polarized light at oblique incidence by approximately 20 x and by mediating the electron emission through surface plasmon excitation by approximately 10(exp 3) x. For the low intensities used in these experiments, the electron pulse duration is almost the same as the laser pulse duration for both the bulk and the surface plasmon mediated photoemission.

  18. Photoemission experiments of a large area scandate dispenser cathode

    NASA Astrophysics Data System (ADS)

    Zhang, Huang; Liu, Xing-guang; Chen, Yi; Chen, De-biao; Jiang, Xiao-guo; Yang, An-min; Xia, Lian-sheng; Zhang, Kai-zhi; Shi, Jin-shui; Zhang, Lin-wen

    2010-09-01

    A 100-mm-diameter scandate dispenser cathode was tested as a photocathode with a 10 ns Nd:YAG laser (266 nm) on an injector test stand for linear induction accelerators. This thermionic dispenser cathode worked at temperatures ranging from room temperature to 930 °C (below or near the thermionic emission threshold) while the vacuum was better than 4×10 -7 Torr. The laser pulse was synchronized with a 120 ns diode voltage pulse stably and they were in single pulse mode. Emission currents were measured by a Faraday cup. The maximum peak current collected at the anode was about 100 A. The maximum quantum efficiency measured at low laser power was 2.4×10 -4. Poisoning effect due to residual gas was obvious and uninterrupted heating was needed to keep cathode's emission capability. The cathode was exposed to air one time between experiments and recovered after being reconditioned. Photoemission uniformity of the cathode was also explored by changing the laser spot's position.

  19. Temperature-dependent internal photoemission probe for band parameters

    NASA Astrophysics Data System (ADS)

    Lao, Yan-Feng; Perera, A. G. Unil

    2012-11-01

    The temperature-dependent characteristic of band offsets at the heterojunction interface was studied by an internal photoemission (IPE) method. In contrast to the traditional Fowler method independent of the temperature (T), this method takes into account carrier thermalization and carrier/dopant-induced band-renormalization and band-tailing effects, and thus measures the band-offset parameter at different temperatures. Despite intensive studies in the past few decades, the T dependence of this key band parameter is still not well understood. Re-examining a p-type doped GaAs emitter/undoped AlxGa1-xAs barrier heterojunction system disclosed its previously ignored T dependency in the valence-band offset, with a variation up to ˜-10-4 eV/K in order to accommodate the difference in the T-dependent band gaps between GaAs and AlGaAs. Through determining the Fermi energy level (Ef), IPE is able to distinguish the impurity (IB) and valence bands (VB) of extrinsic semiconductors. One important example is to determine Ef of dilute magnetic semiconductors such as GaMnAs, and to understand whether it is in the IB or VB.

  20. Disclosing dark mode of femtosecond plasmon with photoemission electron microscopy

    NASA Astrophysics Data System (ADS)

    Ji, Boyu; Wang, Qian; Song, Xiaowei; Tao, Haiyan; Dou, Yinping; Gao, Xun; Hao, Zuoqiang; Lin, Jingquan

    2017-10-01

    The plasmonics dark mode of metal nanorings has potential in the field of e.g. sensing and surface-enhanced Raman spectroscopy (SERS). Most of the investigations on the plasmonics dark mode in a nanoring have been on far-field spectroscopy or near field simulations so far. In this paper, the near-field distribution of the femtosecond dark mode plasmon on an individual gold nanoring is mapped non-invasively using photoemission electron microscopy (PEEM). The experimental results show that strong electron emission distributions in the PEEM images under different polarization directions and wavelengths of femtosecond light are in qualitative agreement with the pattern of quadruple plasmon mode calculated using finite-difference time-domain simulation. In the meantime, it is found that there is a discrepancy in hot spot distribution between the observed PEEM image and the simulated photoelectron emission pattern, which is attributed to some possible factors, such as band structure near the Fermi level of the nanoring material and the temporal profile of femtosecond laser pulse. Real-space near-field imaging of the plasmonics dark mode provides a fundamental understanding of the near field and paves the way for further advancing the applications of dark mode in the field of e.g. sensing and SERS.

  1. High energy resolution bandpass photon detector for inverse photoemission spectroscopy.

    PubMed

    Maniraj, M; D'Souza, S W; Nayak, J; Rai, Abhishek; Singh, Sanjay; Sekhar, B N Raja; Barman, S R

    2011-09-01

    We report a bandpass ultraviolet photon detector for inverse photoemission spectroscopy with energy resolution of 82 ± 2 meV. The detector (Sr(0.7)Ca(0.3)F(2)/acetone) consists of Sr(0.7)Ca(0.3)F(2) entrance window with energy transmission cutoff of 9.85 eV and acetone as detection gas with 9.7 eV photoionization threshold. The response function of the detector, measured using synchrotron radiation, has a nearly Gaussian shape. The n = 1 image potential state of Cu(100) and the Fermi edge of silver have been measured to demonstrate the improvement in resolution compared to the CaF(2)/acetone detector. To show the advantage of improved resolution of the Sr(0.7)Ca(0.3)F(2)/acetone detector, the metal to semiconductor transition in Sn has been studied. The pseudogap in the semiconducting phase of Sn could be identified, which is not possible with the CaF(2)/acetone detector because of its worse resolution. © 2011 American Institute of Physics

  2. Direct surface magnetometry with photoemission magnetic x-ray dichroism

    SciTech Connect

    Tobin, J.G.; Goodman, K.W.; Schumann, F.O.

    1997-04-01

    Element specific surface magnetometry remains a central goal of synchrotron radiation based studies of nanomagnetic structures. One appealing possibility is the combination of x-ray absorption dichroism measurements and the theoretical framework provided by the {open_quotes}sum rules.{close_quotes} Unfortunately, sum rule analysis are hampered by several limitations including delocalization of the final state, multi-electronic phenomena and the presence of surface dipoles. An alternative experiment, Magnetic X-Ray Dichroism in Photoelectron Spectroscopy, holds out promise based upon its elemental specificity, surface sensitivity and high resolution. Computational simulations by Tamura et al. demonstrated the relationship between exchange and spin orbit splittings and experimental data of linear and circular dichroisms. Now the authors have developed an analytical framework which allows for the direct extraction of core level exchange splittings from circular and linear dichroic photoemission data. By extending a model initially proposed by Venus, it is possible to show a linear relation between normalized dichroism peaks in the experimental data and the underlying exchange splitting. Since it is reasonable to expect that exchange splittings and magnetic moments track together, this measurement thus becomes a powerful new tool for direct surface magnetometry, without recourse to time consuming and difficult spectral simulations. The theoretical derivation will be supported by high resolution linear and circular dichroism data collected at the Spectromicroscopy Facility of the Advanced Light Source.

  3. Investigation of mussel adhesive protein adsorption on polystyrene and poly(octadecyl methacrylate) using angle dependent XPS, ATR-FTIR, and AFM

    SciTech Connect

    Baty, A.M.; Suci, P.A.; Tyler, B.J.; Geesey, G.G.

    1996-02-10

    Despite many years of research effort, the molecular interactions that are responsible for microbial adhesion and fouling of surfaces remain obscure. An understanding of these interactions would contribute to the development of surfaces that resist colonization of microorganisms. The irreversible adsorption of mussel adhesive proteins (MAP) from the marine mussel Mytilus edulis has been investigated on polystyrene (PS) and poly(octadecyl methacrylate) (POMA) surfaces using angle resolved X-ray photoelectron spectroscopy (XPS), attenuated total reflection Fourier transform infrared (ATR-FTIR) spectrometry, and atomic force microscopy (AFM). Angle resolved XPS was used to quantify the elemental composition with depth of the upper 90 {angstrom} of the surface, and AFM was used to obtain the surface topography. The adsorption pattern of MAP, revealed by AFM images, is distinctly different on the two polymer surfaces and suggests that the substratum influences protein adhesion. The depth profiles of MAP, obtained from angle resolved XPS, show differences in nitrogen composition with depth for MAP adsorbed to PS and POMA. Infrared spectra of hydrated adsorbed MAP revealed significant differences in the amide III region and in two bands which may originate from residues in the tandemly repeated sequences of MAP. This data demonstrates that the chemistry of the polymer film that is present at the protein-polymer interface can influence protein-protein and protein-surface interactions.

  4. A first-principles core-level XPS study on the boron impurities in germanium crystal

    SciTech Connect

    Yamauchi, Jun; Yoshimoto, Yoshihide; Suwa, Yuji

    2013-12-04

    We systematically investigated the x-ray photoelectron spectroscopy (XPS) core-level shifts and formation energies of boron defects in germanium crystals and compared the results to those in silicon crystals. Both for XPS core-level shifts and formation energies, relationship between defects in Si and Ge is roughly linear. From the similarity in the formation energy, it is expected that the exotic clusters like icosahedral B12 exist in Ge as well as in Si.

  5. A first-principles core-level XPS study on the boron impurities in germanium crystal

    NASA Astrophysics Data System (ADS)

    Yamauchi, Jun; Yoshimoto, Yoshihide; Suwa, Yuji

    2013-12-01

    We systematically investigated the x-ray photoelectron spectroscopy (XPS) core-level shifts and formation energies of boron defects in germanium crystals and compared the results to those in silicon crystals. Both for XPS core-level shifts and formation energies, relationship between defects in Si and Ge is roughly linear. From the similarity in the formation energy, it is expected that the exotic clusters like icosahedral B12 exist in Ge as well as in Si.

  6. High resolution synchrotron radiation based photoemission study of the in situ deposition of molecular sulphur on the atomically clean InGaAs surface

    NASA Astrophysics Data System (ADS)

    Chauhan, Lalit; Hughes, Greg

    2012-06-01

    High resolution synchrotron radiation core level photoemission studies were performed on atomically clean 0.5 μm thick In0.53Ga0.47As (100) epilayers lattice matched to InP substrates following the removal of a 100 nm protective arsenic cap at 410 °C. Both n-type (Si doped 5 × 1017 cm-3) and p-type (Be doped 5 × 1017 cm-3) InGaAs samples were subsequently exposed in situ to molecular sulphur at room temperature, and the resulting changes in the surface chemical composition were recorded. The photoemission spectra indicate evidence of As-S, Ga-S, and In-S bond formation and the substitution of As in the near surface region by sulphur. Annealing to 400 °C results in the complete removal of the As-S bonding component with both Ga-S and In-S bonding configurations remaining. After the anneal, the Fermi level position for both n-type and p-type samples resides at the top of the bandgap indicating a near flat band condition for n-type and significant band bending on the p-type sample. The results of angle resolved photoemission measurements suggest that the sulphur has substituted arsenic in the near surface region resulting in both samples displaying n-type surface behaviour. Annealing to higher temperatures results in the loss of In from the surface without any significant change in the Ga, As, or S signals. Work function measurements on both doping types after sulphur deposition and anneal show similar behaviour displaying a value close to 6 eV which is indicative of the formation of a surface dipole layer related to the presence of sulphur on the surface.

  7. A combined QCM and XPS investigation of asphaltene adsorption on metal surfaces.

    PubMed

    Rudrake, Amit; Karan, Kunal; Horton, J Hugh

    2009-04-01

    To investigate asphaltene-metal interactions, a combined quartz crystal microbalance (QCM) and X-ray photoelectron spectroscopy (XPS) study of asphaltene adsorption on a gold surface was conducted. Adsorption experiments were conducted at 25 degrees C with solutions of asphaltenes in toluene at concentrations ranging from 50 to 1500 ppm. QCM measurements yielded information on the kinetics of adsorption and further assessment of the data allowed the estimation of equilibrium adsorption levels. XPS analysis of adsorbed and bulk asphaltene demonstrated the presence of carboxylic, thiophenic, sulfide, pyridinic and pyrrolic type functional groups. The intensity of the main carbon (C-H) peak was related to surface coverage of adsorbed asphaltene as a function of asphaltene concentration by a simple mathematical model. The mass adsorption data from the QCM experiments also allowed estimation of the surface coverage, which was compared to those from XPS analyses. Surface coverage estimates as a function of asphaltene concentration could be described by a Langmuir (type-I) isotherm. The free energy of asphaltene adsorption was estimated to be -26.8+/-0.1 and -27.3+/-0.1 kJ/mol from QCM and XPS data, respectively assuming asphaltene molar mass of 750 g/gmol. QCM and XPS data was also analyzed to estimate adsorbed layer thickness after accounting for surface coverage. The thickness of the adsorbed asphaltene estimated from both XPS and QCM data analyses ranged from 6-8 nm over the entire range of adsorption concentrations investigated.

  8. Resonant photoemission in MnF/sub 2/

    SciTech Connect

    Hayes, R.G.; Sham, T.K.

    1986-06-15

    Photoelectron spectra are reported for MnF/sub 2/ using the National Synchrotron Light source radiation (NSLS) as excitation radiation. Resonance structures, defined as the enhancement of intensity are discussed. (AIP)

  9. Combined far infrared RAIRS and XPS studies of TiCl 4 adsorption and reaction on Mg films

    NASA Astrophysics Data System (ADS)

    Pilling, M. J.; Fonseca, A. Amieiro; Cousins, M. J.; Waugh, K. C.; Surman, M.; Gardner, P.

    2005-08-01

    In recent years there has been an increase in interest in the study of model Ziegler-Natta catalysts used for the polymerisation of ethene and propene. Particular attention has focused on catalysts consisting of TiCl 4 on activated MgCl 2 accompanied by a co-catalyst, usually triethylaluminium (AlEt 3). As part of a wider project on the characterisation of model Ziegler-Natta catalysts we have investigated the interaction of TiCl 4 with metallic Mg films grown on a Au surface using X-ray photoelectron spectroscopy (XPS) and far infrared reflection absorption infrared spectroscopy. Somewhat surprisingly, the infrared spectra show little variation as a function of exposure to TiCl 4. A very broad asymmetric vibrational band grows in with maximum intensity at 382 cm -1. Three prominent low frequency shoulders are observed at approximately 360, 320, and 260 cm -1. For monolayer coverages of Mg the main band at 382 cm -1 is narrower, less asymmetric and accompanied by a prominent shoulder at 398 cm -1, which increases with increasing exposure to TiCl 4. TiCl 4 exposure in the presence of 5 × 10 -8 Torr of ethyl benzoate results in a change in line shape with low frequency broadening and a small shift in the frequency of the band. These spectra are discussed in the light of the possible constituent species making up the surface layer.

  10. Structural environment of uranium (VI) and europium (III) species sorbed onto phosphate surfaces: XPS and optical spectroscopy studies

    SciTech Connect

    Drot, R.; Simoni, E.; Alnot, M.; Ehrhardt, J.J.

    1998-09-15

    In order to characterize the structure of the surface complexes formed by interaction between uranyl and europium (III) ions and the surface of solid matrices, optical and X-ray photoelectron spectroscopies experiments on uranyl/europium loaded phosphate solids have been performed. The use of complimentary spectroscopic techniques allows an identification of the sorption mechanism and a structural characterization of the sorption sites and the sorbed species on phosphate surfaces. The samples were prepared from aqueous uranyl or europium solutions in the pH range from 1.5 to 6.0. The surface coverage was varied from 1 to 40% of a monolayer. The differences between the emission spectra of europium ions either sorbed on the surface of phosphate samples or doped inside the solid unambiguously indicates that these sorbed ions are exclusively located on the surface and that they do not migrate inside the matrix, which shows clearly that surface complexation is involved during the sorption process. The XPS spectrum of uranyl ions sorbed on zirconium diphosphate exhibits only one component, while the spectrum corresponding to uranium on thorium matrix shows two different unresolved peaks attributed to two different chemical environments. These results, corroborated by the uranyl emission spectra and the associated decay times and those obtained by optical spectroscopy of europium sorbed on the same solids, have been interpreted in terms of two sorption sites probably formed by the oxygens of the PO{sub 4} and P{sub 2}O{sub 7} surface groups.

  11. Near-ambient pressure XPS of high-temperature surface chemistry in Sr2Co2O5 thin films

    DOE PAGES

    Hong, Wesley T.; Stoerzinger, Kelsey; Crumlin, Ethan J.; ...

    2016-02-11

    Transition metal perovskite oxides are promising electrocatalysts for the oxygen reduction reaction (ORR) in fuel cells, but a lack of fundamental understanding of oxide surfaces impedes the rational design of novel catalysts with improved device efficiencies. In particular, understanding the surface chemistry of oxides is essential for controlling both catalytic activity and long-term stability. Thus, elucidating the physical nature of species on perovskite surfaces and their catalytic enhancement would generate new insights in developing oxide electrocatalysts. In this article, we perform near-ambient pressure XPS of model brownmillerite Sr2Co2O5 (SCO) epitaxial thin films with different crystallographic orientations. Detailed analysis of themore » Co 2p spectra suggests that the films lose oxygen as a function of temperature. Moreover, deconvolution of the O 1s spectra shows distinct behavior for (114)-oriented SCO films compared to (001)-oriented SCO films, where an additional bulk oxygen species is observed. These findings indicate a change to a perovskite-like oxygen chemistry that occurs more easily in (114) SCO than (001) SCO, likely due to the orientation of oxygen vacancy channels out-of-plane with respect to the film surface. This difference in surface chemistry is responsible for the anisotropy of the oxygen surface exchange coefficient of SCO and may contribute to the enhanced ORR kinetics of La0.8Sr0.2CoO3-δ thin films by SCO surface particles observed previously.« less

  12. Compositional and surface characterization of HULIS by UV-Vis, FTIR, NMR and XPS: Wintertime study in Northern India

    NASA Astrophysics Data System (ADS)

    Kumar, Varun; Goel, Anubha; Rajput, Prashant

    2017-09-01

    This study (first attempt) characterizes HULIS (Humic Like Substances) in wintertime aerosols (n = 12 during day and nighttime each) from Indo-Gangetic Plain (IGP, at Kanpur) by using various state-of-the art techniques such as UV-VIS, FTIR, 1H NMR and XPS. Based on UV-Vis analysis the absorption coefficient at 365 nm (babs-365) of HULIS was found to average at 13.6 and 28.8 Mm-1 during day and nighttime, respectively. Relatively high babs-365 of HULIS during the nighttime is attributed to influence of fog-processing. However, the power fit of UV-Vis spectrum provided near similar AAE (absorption Angstrom exponent) value of HULIS centering at 4.9 ± 1.4 and 5.1 ± 1.3 during daytime and nighttime, respectively. FTIR spectra and its double derivative revealed the presence of various functional groups viz. alcohols, ketones aldehydes, carboxylic acids as well as unsaturated and saturated carbon bonds. 1H NMR spectroscopy was applied to quantify relative percentage of various types of hydrogen atoms contained in HULIS, whereas XPS technique provided information on surface composition and oxidation states of various elements present. A significantly high abundance of H‒C‒O group has been observed in HULIS (based on 1H NMR); 41.4± 2.7% and 30.9± 2.4% in day and nighttime, respectively. However, aromatic protons (Ar-H) were higher in nighttime samples (19.3± 1.8%) as compared to that in daytime samples (7.5 ± 1.9). XPS studies revealed presence of various species on the surface of HULIS samples. Carbon existed in 7 different chemical states while total nitrogen and sulfur exhibited 3 and 2 different oxidation states (respectively) on the surface of HULIS. This study reports structural information and absorption properties of HULIS which has implications to their role as cloud condensation nuclei and atmospheric direct radiative forcing.

  13. Surface Chemical Composition of Size-fractionated Urban Walkway Aerosols Determined by XPS and ToF-SIMS

    NASA Astrophysics Data System (ADS)

    Wenjuan, Cheng; Lu-Tao, Weng; Yongjie, Li; Arthur, Lau; Chak, Chan; Chi-Ming, Chan

    2013-04-01

    In this study, aerosol particles with sizes ranging from 0.056 to 10 ?m were collected using a ten-stage impactor sampler (MOUDI) from a busy walkway of Hong Kong. The aerosol samples of each stage were examined with X-ray photoelectron spectroscopy (XPS). Size dependent distributions of the detected six key elements (N, S, Ca, Si, O, and C) were revealed together with the chemical states of N, S and C. The results indicated that aliphatic hydrocarbons were the dominant species on the surface of all particles while a small portion of graphitic carbon (due to elemental and aromatic hydrocarbons) was also detected on the surface of the particles with sizes ranging from 0.056 to 0.32 ?m. Organic oxygen- and nitrogen-containing surface groups as well as sulfates were more abundant on the surface of the particles with sizes ranging from 0.32 to 1 μm. Organic oxygen- and nitrogen-containing surface groups as well as sulfates were more abundant on the surface of the particles with sizes ranging from 0.32 to 1 μm. Inorganic salts and nitrates were found in coarse-mode particles. Time-of-flight secondary ion mass spectrometry (ToF-SIMS) was used for detailed surface and near surface composition analysis. Principal component analysis (PCA) of the ToF-SIMS spectra confirmed the XPS results that aromatic hydrocarbons were associated with the nucleation-mode particles. Aliphatic hydrocarbons with O- and N-containing functional groups were associated with accumulation-mode particles and inorganic salts were related to the coarse-mode particles. Depth-profiling experiments were performed on three specific sets of samples (nucleation-, accumulation- and coarse-mode particles) to study their near-surface structures. It showed that organic compounds were concentrated on the very top surface of the coarse-mode particles with inorganics in the core. The accumulation-mode particles had thick coatings of diverse organic compositions. The nucleation-mode particles, which contained

  14. Association of the Cytoplasmic Membrane Protein XpsN with the Outer Membrane Protein XpsD in the Type II Protein Secretion Apparatus of Xanthomonas campestris pv. Campestris

    PubMed Central

    Lee, Hsien-Ming; Wang, Kuan-Cheng; Liu, Yi-Ling; Yew, Hsin-Yan; Chen, Ling-Yun; Leu, Wei-Ming; Chen, David Chanhen; Hu, Nien-Tai

    2000-01-01

    An xps gene cluster composed of 11 open reading frames is required for the type II protein secretion in Xanthomonas campestris pv. campestris. Immediately upstream of the xpsD gene, which encodes an outer membrane protein that serves as the secretion channel by forming multimers, there exists an open reading frame (previously designated ORF2) that could encode a protein of 261 amino acid residues. Its N-terminal hydrophobic region is a likely membrane-anchoring sequence. Antibody raised against this protein could detect in the wild-type strain of X. campestris pv. campestris a protein band with an apparent molecular mass of 36 kDa by Western blotting. Its aberrant slow migration in sodium dodecyl sulfate-polyacrylamide gels might be due to its high proline content. We designated this protein XpsN. By constructing a mutant strain with an in-frame deletion of the chromosomal xpsN gene, we demonstrated that it is required for the secretion of extracellular enzyme by X. campestris pv. campestris. Subcellular fractionation studies indicated that the XpsN protein was tightly associated with the membrane. Sucrose gradient sedimentation followed by immunoblot analysis revealed that it primarily appeared in the cytoplasmic membrane fractions. Immune precipitation experiments indicated that the XpsN protein was coprecipitated with the XpsD protein. In addition, the XpsN protein was co-eluted with the (His)6-tagged XpsD protein from the metal affinity chromatography column. All observations suggested that the XpsN protein forms a stable complex with the XpsD protein. In addition, immune precipitation analysis of the XpsN protein with various truncated XpsD proteins revealed that the C-terminal region of the XpsD protein between residues 650 and 759 was likely to be involved in complex formation between the two. PMID:10692359

  15. Photoemission and magnetic circular dichroism studies of magnetic semiconductors

    NASA Astrophysics Data System (ADS)

    Fujimori, Atsushi

    2005-03-01

    Recently, a series of novel ferromagnetic semiconductors have been synthesized using MBE and related techniques and have attracted much attention because of unknown mechanisms of carrier-induced ferromagnetism and potential applications as "spin electronics" devices. Some new materials show ferromagnetism even well above room temperature. Photoemission spectroscopy has been used to study the d orbitals of the dilute transition-metal atoms, mostly Mn, and their hybridization with the host band states [1]. Soft x-ray absorption spectroscopy (XAS) and magnetic circular dichroism (MCD) at the transition-metal 2p-3d absorption edges are useful techniques to study the valence and spin states of the transition-metal atoms. Furthermore, since MCD has different sensitivities to the ferromagnetic and paramagnetic components at different temperatures and magnetic fileds, if the sample is a mixture of ferromagnetic and non-ferromagnetic transition- metal atoms, it can be used to separate the two components and to study their electronic structures. In this talk, results are presented for the prototypical diluted ferromagnetic semiconductor Ga1-xMnxAs [2] and the room-temperature ferromagnets Zn1-xCoxO and Ti1-xCoxO2.I acknowledge collaboration with Y. Ishida, J.-I. Hwang, M. Kobayashi, Y. Takeda, Y. Saitoh, J. Okamoto, T. Okane, Y. Muramatsu, K. Mamiya, T. Koide, A. Tanaka, M. Tanaka, Hayashi, S. Ohya, T. Kondo, H. Munekata, H. Saeki, H. Tabata, T. Kawai, Y. Matsumoto, H. Koinuma, T. Fukumura and M. Kawasaki. This work was supported by a Grant-in-Aid for Scientific Research in Priority Area "Semiconductor nano-spintronics" (14076209) from MEXT, Japan.1. J. Okabayashi et al., Phys. Rev. B 64, 125304 (2001).2. A. Fujimori et al., J. Electron Spectrosc. Relat. Phenom., in press.

  16. Transition from the adiabatic to the sudden limit in core-electron photoemission

    NASA Astrophysics Data System (ADS)

    Hedin, Lars; Michiels, John; Inglesfield, John

    1998-12-01

    in the predictions for the photoemission spectra are found small. We confirm the finding by Langreth that the BS limit is reached only in the keV range. At no photon energy are the plasmon satellites close to being either purely intrinsic or extrinsic. For photoelectron energies larger than a few times the plasmon energy, a semiclassical approximation gives results very close to our QM model. At lower energies the QM model gives a large peak in the ratio between the total intensity in the first plasmon satellite and the main peak, which is not reproduced by the SC expression. This maximum has a simple physical explanation in terms of different dampings of the electrons in the QP peak and in the satellite. For the MND peak Jk(ω) and Ac(ɛk-ω) agree well for a range of a few eV, and experimental data can thus be used to extract the MND singularity index. For an embedded atom at a small distance from the surface there are, however, substantial deviations from the large-distance limit. Our model is simple enough to perform quantitative calculations allowing for band-structure and surface details.

  17. Investigation of the potassium fluoride post deposition treatment on the CIGSe/CdS interface using hard X-ray photoemission spectroscopy - a comparative study.

    PubMed

    Ümsür, Bünyamin; Calvet, Wolfram; Steigert, Alexander; Lauermann, Iver; Gorgoi, Mihaela; Prietzel, Karsten; Greiner, Dieter; Kaufmann, Christian A; Unold, Thomas; Lux-Steiner, Martha Ch

    2016-05-18

    The impact of the potassium fluoride post deposition treatment on CIGSe chalcopyrite absorbers is investigated by means of depth resolved hard X-ray photoemission spectroscopy of the near surface region. Two similar, slightly Cu-poor CIGSe absorbers were used with one being treated by potassium fluoride prior to the chemical bath deposition of an ultrathin CdS layer. The thickness of the CdS layer was chosen to be in the range of about 10 nm in order to allow the investigation of the CIGSe/CdS interface by the application of hard X-rays, increasing the information depth up to 30 nm. Besides strong intermixing on both samples, an increased Cu depletion of the KF treated absorber was observed in combination with an increased accumulation of Cd and S. In addition, a general shift of about 0.15 eV to higher binding energies of the CIGSe valence band at the absorber surface as well as the CIGSe and CdS related core levels was measured on the KF treated sample. This phenomenon is attributed to the impact of additional cadmium which acts as donor and releases further electrons into the conduction band of the absorber. Finally, the electrons accumulate at the CdS surface after having passed the interface region. This additional surface charge leads to a pronounced shift in the photoemission spectra as observed on the KF treated CIGSe absorber compared to the non-treated absorber.

  18. Modelling the effect of nuclear motion on the attosecond time-resolved photoelectron spectra of ethylene

    NASA Astrophysics Data System (ADS)

    Crawford-Uranga, A.; De Giovannini, U.; Mowbray, D. J.; Kurth, S.; Rubio, A.

    2014-06-01

    Using time-dependent density functional theory we examine the energy, angular and time-resolved photoelectron spectra (TRPES) of ethylene in a pump-probe setup. To simulate TRPES we expose ethylene to an ultraviolet femtosecond pump pulse, followed by a time delayed extreme ultraviolet probe pulse. Studying the photoemission spectra as a function of this delay provides us direct access to the dynamic evolution of the molecule’s electronic levels. Further, by including the nuclei’s motion, we provide direct chemical insight into the chemical reactivity of ethylene. These results show how angular and energy resolved TRPES could be used to directly probe electron and nucleus dynamics in molecules.

  19. Characterization of surface functionality of coals by photoacoustic ftir (PAIFT) spectroscopy, reflectance infrared microspectrometry, and X-ray photoelectron spectroscopy (XPS)

    SciTech Connect

    Lynch, B.M.; Lancaster, L.I.; Fahey, J.T.; Mac Phee, J.A.

    1987-04-01

    This paper illustrates detection by the technique of Photo Acoustic Infrared Fourier Transform (PAIFT) spectroscopy of new carbonyl-type functionality at the surfaces of powdered bituminous coals, generated by both base-promoted and by thermal decomposition of precursor peroxide species, postulated as ubiquitous constituents at the surfaces of all except the most freshly prepared samples. In artificially oxidized coals, there are quantitative associations between the level of carbonyl content revealed by PAIFT spectra and plastic properties of the coals. In additional, related studies, the authors have derivatized and quantified the hydroxyl group content of the oxidized coals by trifluoroacetylation, followed by hydrolysis and anion-chromatographic analyses for trifluoroacetate. PAIFT and Fluorine-XPS spectra of the trifluoroacetylated species are discussed. Maceral components and mineral inclusions have been identified and characterized in sectioned, polished surfaces of Canadian bituminous coals using reflection FTIR microspectrometry; this direct examination shows promise for real-time monitoring of various reactions at surfaces.

  20. Strong Linear Dichroism in Spin-Polarized Photoemission from Spin-Orbit-Coupled Surface States.

    PubMed

    Bentmann, H; Maaß, H; Krasovskii, E E; Peixoto, T R F; Seibel, C; Leandersson, M; Balasubramanian, T; Reinert, F

    2017-09-08

    A comprehensive understanding of spin-polarized photoemission is crucial for accessing the electronic structure of spin-orbit coupled materials. Yet, the impact of the final state in the photoemission process on the photoelectron spin has been difficult to assess in these systems. We present experiments for the spin-orbit split states in a Bi-Ag surface alloy showing that the alteration of the final state with energy may cause a complete reversal of the photoelectron spin polarization. We explain the effect on the basis of ab initio one-step photoemission theory and describe how it originates from linear dichroism in the angular distribution of photoelectrons. Our analysis shows that the modulated photoelectron spin polarization reflects the intrinsic spin density of the surface state being sampled differently depending on the final state, and it indicates linear dichroism as a natural probe of spin-orbit coupling at surfaces.

  1. Strong Linear Dichroism in Spin-Polarized Photoemission from Spin-Orbit-Coupled Surface States

    NASA Astrophysics Data System (ADS)

    Bentmann, H.; Maaß, H.; Krasovskii, E. E.; Peixoto, T. R. F.; Seibel, C.; Leandersson, M.; Balasubramanian, T.; Reinert, F.

    2017-09-01

    A comprehensive understanding of spin-polarized photoemission is crucial for accessing the electronic structure of spin-orbit coupled materials. Yet, the impact of the final state in the photoemission process on the photoelectron spin has been difficult to assess in these systems. We present experiments for the spin-orbit split states in a Bi-Ag surface alloy showing that the alteration of the final state with energy may cause a complete reversal of the photoelectron spin polarization. We explain the effect on the basis of ab initio one-step photoemission theory and describe how it originates from linear dichroism in the angular distribution of photoelectrons. Our analysis shows that the modulated photoelectron spin polarization reflects the intrinsic spin density of the surface state being sampled differently depending on the final state, and it indicates linear dichroism as a natural probe of spin-orbit coupling at surfaces.

  2. Integrated experimental setup for angle resolved photoemission spectroscopy of transuranic materials.

    PubMed

    Graham, Kevin S; Joyce, John J; Durakiewicz, Tomasz

    2013-09-01

    We have developed the Angle Resolved Photoemission Spectroscopy (ARPES) system for transuranic materials. The ARPES transuranic system is an endstation upgrade to the Laser Plasma Light Source (LPLS) at Los Alamos National Laboratory. The LPLS is a tunable light source for photoemission with a photon energy range covering the vacuum ultraviolet (VUV) and soft x-ray regions (27-140 eV). The LPLS was designed and developed for transuranic materials. Transuranic photoemission is currently not permitted at the public synchrotrons worldwide in the VUV energy range due to sample encapsulation requirements. With the addition of the ARPES capability to the LPLS system there is an excellent opportunity to explore new details centered on the electronic structure of actinide and transuranic materials.

  3. Understanding the photoemission distribution of strongly interacting two-dimensional overlayers

    NASA Astrophysics Data System (ADS)

    Lüftner, Daniel; Weiß, Simon; Yang, Xiaosheng; Hurdax, Philipp; Feyer, Vitaliy; Gottwald, Alexander; Koller, Georg; Soubatch, Serguei; Puschnig, Peter; Ramsey, Michael G.; Tautz, F. Stefan

    2017-09-01

    Photoemission tomography (PT), the analysis of the photoemission intensity distribution within the plane wave final-state approximation, is being established as a useful tool for extracting the electronic and geometric structure of weakly interacting organic overlayers. Here we present a simple method for extending PT, which until now has been based on the calculations of isolated molecules. By including the substrate and a damped plane-wave final state, we are able to simulate the photoemission intensity distribution of two-dimensional molecular overlayers with both strong intermolecular and molecule-substrate interactions, here demonstrated for the model system 3,4,9,10-perylene-tetracarboxylic dianhydride (PTCDA) on Cu(100). It is shown that the interaction and hybridization of the lowest unoccupied molecular orbital of PTCDA with substrate states leads to its occupation and the formation of a strongly dispersing intermolecular band, whose experimental magnitude of 1.1 eV and k -space periodicity is well reproduced theoretically.

  4. Photoemission studies of amorphous silicon induced by P + ion implantation

    NASA Astrophysics Data System (ADS)

    Petö, G.; Kanski, J.

    1995-12-01

    An amorphous Si layer was formed on a Si (1 0 0) surface by P + implantation at 80 keV. This layer was investigated by means of photoelectron spectroscopy. The resulting spectra are different from earlier spectra on amorphous Si prepared by e-gun evaporation or cathode sputtering. The differences consist of a decreased intensity in the spectral region corresponding to p-states, and appearace of new states at higher binding energy. Qualitativity similar results have been reported for Sb implanted amorphous Ge and the modification seems to be due to the changed short range order.

  5. XPS study of surface state of novel perovskite system Dy0.5Sr0.5Co0.8Fe0.2O3-δ as cathode for solid oxide fuel cells

    NASA Astrophysics Data System (ADS)

    Kautkar, Pranay R.; Acharya, Smita A.; Tumram, Priya V.; Deshpande, U. P.

    2016-05-01

    In the present attempt,novel perovskite oxide Dy0.5Sr0.5Co0.8Fe0.2O3-δ (DSCF) as cathode material has been synthesized by an Ethylene glycol-citrate combined sol-gel combustion route. Orthorhombic symmetry structure is confirmed by X-ray diffraction (XRD) and data is well fitted using Rietveld refinement by Full-Prof software suite. Chemical natureof surface of DSCF has been analyzed by using X-ray photoelectron spectroscopy (XPS). XPS result shows that Dy ions are in +3 oxidation state and Sr in +2 states. However Co2p and Fe2p spectra indicates partial change in oxidation state from Co3+/Fe3+ to Co4+/Fe4+. These attribute to develop active sites on the surface for oxygen ions. O1s XPS spectra shows two oxygen peaks relatedto lattice oxygen in perovskite and absorbed oxygen in oxygen vacancy are detected. O1s spectra demonstrate the existence of adsorbed oxygen species on the surface of DSCF oxide which is quite beneficial for intermediate temperature of Solid Oxide Fuel Cell.

  6. Correlation of polycrystalline Cu(In,Ga)Se{sub 2} device efficiency with homojunction depth and interfacial structure: X-ray photoemission and positron annihilation spectroscopic characterization

    SciTech Connect

    Nelson, A.J.; Sobol, P.E.; Gabor, A.M.; Contreras, M.A.; Asoka-Kumar, P.; Lynn, K.G.

    1994-06-01

    Angled-resolved high resolution photoemission measurements on valence band electronic structure and Cu 2p, In 3d, Ga 2p, and Se 3d core lines were used to evaluate surface and near-surface chemistry of CuInSe{sub 2} and Cu(In,Ga)Se{sub 2} device grade thin films. XPS compositional depth profiles were also acquired from the near-surface region, and bonding of the Cu, In, Ga, and Se was determined as a function of depth. A Cu-poor region was found, indicating CuIn{sub 5}Se{sub 8} or a CuIn{sub 3}Se{sub 5}-In{sub 2}Se{sub 3} mixture. Correlation between the depth of the Cu-poor region/bulk interface and device efficiency showed that the depth was 115 {angstrom} for a 16.4% CIGS device, 240 {angstrom} for a 15.0% CIGS, and 300 {angstrom} for 14.0% CIGS, with similar trends for CIS films. The surface region is n-type, the bulk is p-type, with a 0.5 eV valence band offset. Depth of homojunction may be the determining factor in device performance. Positron annihilation spectroscopy gave similarly illuminating results.

  7. Pyrite surface environment drives molecular adsorption: cystine on pyrite(100) investigated by X-ray photoemission spectroscopy and low energy electron diffraction.

    PubMed

    Sanchez-Arenillas, M; Mateo-Marti, E

    2016-10-05

    We have demonstrated that the annealing process for cleaning pyrite surfaces is a critical parameter in promoting ordering on the surface and driving surface reactivity. Furthermore, we describe a spectroscopic surface characterization of the presence or absence of the surface ordering, as indicated by the Low Energy Electron Diffraction (LEED) pattern, as a function of the surface annealing process. Complementary X-ray photoemission spectroscopy (XPS) results provide evidence that longer annealing processes of over 3 hours repair the sulfur vacancies in the pyrite, making FeS species partially disappear in favor of FeS2 species. These features play an important role in molecular adsorption. We show that in the case of the cystine amino acid on the (100) pyrite surface, the substrate structure is responsible for the chemical adsorption form. The presence of an ordered structure on the surface, as indicated by the LEED pattern, favors the cystine NH3(+) chemical form, whereas the absence of the surface ordering promotes cystine NH2 adsorption due to the sulfur-deficient surface. The cystine molecule could then act by changing its chemical functionalities to compensate for the iron surface coordination. The chemical molecular adsorption form can be selected by the surface annealing conditions, implying that environmental conditions could drive molecular adsorption on mineral surfaces. These findings are relevant in several surface processes, and they could play a possible role in prebiotic chemistry surface reactions and iron-sulfur scenarios.

  8. Influence of chemical composition on the X-ray photoemission, thermopower, specific heat, and magnetic properties of CeNi2(Si1-yGey)2

    NASA Astrophysics Data System (ADS)

    Toliński, T.; Synoradzki, K.; Bajorek, A.; Chełkowska, G.; Koterlyn, M.; Koterlyn, G.; Yasnitskii, R.

    2017-06-01

    We report our studies of the intermediate compositions between CeNi2Si2 and CeNi2Ge2, i.e., the alloys CeNi2(Si1-yGey)2 by means of the thermopower, electrical resistivity, specific heat, magnetic susceptibility, and X-ray photoemission measurements. CeNi2Si2 is a fluctuating valence system and CeNi2Ge2 is known to show the heavy fermion behaviour. The change of the temperature dependence of the resistivity towards the typical metallic behaviour occurs below y 0.25. The transition between CeNi2Si2 and CeNi2Ge2 is discussed in the frames of competition between the crystal electric field and Kondo interactions. It is found that valence stabilisation occurs for Ge content y > 0.25. The hybridization energy Δ determined from the XPS Ce 3d spectrum reflects well the behaviour of the parameter E ex obtained from the analysis of the magnetic susceptibility by the interconfiguration fluctuation model. It has been also shown that thermopower data can be successfully described employing the single ion model for 0.6 < y < 1.0 and two-band model including the crystal electric field splitting for y ≤ 0.25.

  9. X-ray photoemission spectroscopy investigation of CaTiO{sub 3}:Eu for luminescence property: effect of Eu{sup 3+} ion

    SciTech Connect

    Wang, Kaichen; Zhao, Baijun; Gao, Lu

    2016-06-15

    Graphical abstract: The influence on the photoluminescent performance due to the electronic structure change in Eu-doped CaTiO{sub 3} of the specific core-level and valence band spectrum via X-ray photoemission spectroscopy were characterized. - Highlights: • Single phase CaTiO{sub 3} and CaTiO{sub 3}: Eu crystals were prepared under mild hydrothermal method. • Crystal structure, doping level and the relations to their luminescent property were discussed. • Charge compensation mechanism was discussed via valance band spectrum by XPS. - Abstract: Charge compensation of on-site Eu 4f–5d transition that determines the luminescent performance was confirmed with valance band spectrum. Influence of photoelectrons from CaTiO{sub 3}: Eu to the corresponding luminescent performance was discussed based on the crystal structure, doping level and the relations to their luminescent property. This paper is important to further optimize the luminescent performance for improving the efficiency and reducing the cost in light emitting diode industry.

  10. Thorough XPS analyses on overlithiated manganese spinel cycled around the 3V plateau

    NASA Astrophysics Data System (ADS)

    Grissa, R.; Martinez, H.; Cotte, S.; Galipaud, J.; Pecquenard, B.; Cras, F. Le

    2017-07-01

    Lithium-rich spinel Li1.2Mn1.8O4 thin film electrodes operated at 3 V/Li+/Li are studied by means of X-ray photoelectron spectroscopy (XPS), mainly on the basis of the evolution of the Mn2p XPS peak during the electrode cycling. The analysis of this core peak has long been debated in literature given its complex character. Based on manganese oxide references, MnO (Mn2+), Mn2O3(Mn3+) and Li2MnO3(Mn4+), we propose a deconvolution method to identify each Mn oxidation state. This method is then used for the deconvolution of Mn2p XPS peaks of bulk lithium-rich spinels Li1+xMn2-xO4 (0 ≤ x ≤ 0.25) for validation before proceeding to the study of cycled Li1.2Mn1.8O4 thin film electrodes. Electrochemical measurements exhibit significant capacity loss during the first cycle. Based on XPS analyses, this phenomenon could be explained by mechanical breakup of parts of the electrode. A stable behavior during subsequent cycles is then observed. The presence of Mn2+ species (XPS) at the most top surface of the electrode and the significant polarization observed during the discharge illustrate the kinetical limitation of the two-phase reaction, despite the reduced thickness of the electrode material.

  11. Polarity effects in the x-ray photoemission of ZnO and other wurtzite semiconductors

    NASA Astrophysics Data System (ADS)

    Allen, M. W.; Zemlyanov, D. Y.; Waterhouse, G. I. N.; Metson, J. B.; Veal, T. D.; McConville, C. F.; Durbin, S. M.

    2011-03-01

    Significant polarity-related effects were observed in the near-surface atomic composition and valence band electronic structure of ZnO single crystals, investigated by x-ray photoemission spectroscopy using both Al Kα (1486.6 eV) and synchrotron radiation (150 to 1486 eV). In particular, photoemission from the lowest binding energy valence band states was found to be significantly more intense on the Zn-polar face compared to the O-polar face. This is a consistent effect that can be used as a simple, nondestructive indicator of crystallographic polarity in ZnO and other wurtzite semiconductors.

  12. An XUV source using a femtosecond enhancement cavity for photoemission spectroscopy

    NASA Astrophysics Data System (ADS)

    Mills, Arthur K.; Zhdanovich, Sergey; Sheyerman, Alex; Levy, Giorgo; Damascelli, Andrea; Jones, David J.

    2015-05-01

    Recent development of extreme ultraviolet (XUV) sources based on high harmonic generation (HHG) in femtosecond enhancement cavities (fsEC) has enabled generation of high photon ux ( ̴ 1013-1014 photons/sec) in the XUV, at high repetition rates (> 50 MHz) and spanning the spectral region from 40 nm - 120 nm. Here we demonstrate the potential offered by this approach for angle-resolved photoemission spectroscopy by measuring the photoemission spectrum of Au using 8.3 and 25 eV photons with excellent resolution at rapid data rates.

  13. Generating few-cycle pulses for nanoscale photoemission easily with an erbium-doped fiber laser.

    PubMed

    Thomas, Sebastian; Holzwarth, Ronald; Hommelhoff, Peter

    2012-06-18

    We demonstrate a simple setup capable of generating four-cycle pulses at a center wavelength of 1700 nm for nanoscale photoemission. Pulses from an amplified erbium-doped fiber laser are spectrally broadened by propagation through a highly non-linear fiber. Subsequently, we exploit dispersion in two different types of glass to compress the pulses. The pulse length is estimated by measuring an interferometric autocorrelation trace and comparing it to a numerical simulation. We demonstrate highly non-linear photoemission of electrons from a nanometric tungsten tip in a hitherto unexplored pulse parameter range.

  14. Astigmatism correction in x-ray scanning photoemission microscope with use of elliptical zone plate

    SciTech Connect

    Ade, H.; Ko, C. ); Anderson, E. )

    1992-03-02

    We report the impact of an elliptical, high resolution zone plate on the performance of an initially astigmatic soft x-ray scanning photoemission microscope. A zone plate with carefully calibrated eccentricity has been used to eliminate astigmatism arising from transport optics, and an improvement of about a factor of 3 in spatial resolution was achieved. The resolution is still dominated by the source size and chromatic aberrations rather than by diffraction and coma, and a further gain of about a factor of 2 in resolution is possible. Sub 100 nm photoemission microscopy with primary photoelectrons is now within reach.

  15. Theoretical estimates of spherical and chromatic aberration in photoemission electron microscopy.

    PubMed

    Fitzgerald, J P S; Word, R C; Könenkamp, R

    2016-01-01

    We present theoretical estimates of the mean coefficients of spherical and chromatic aberration for low energy photoemission electron microscopy (PEEM). Using simple analytic models, we find that the aberration coefficients depend primarily on the difference between the photon energy and the photoemission threshold, as expected. However, the shape of the photoelectron spectral distribution impacts the coefficients by up to 30%. These estimates should allow more precise correction of aberration in PEEM in experimental situations where the aberration coefficients and precise electron energy distribution cannot be readily measured.

  16. Quantum-electrodynamic treatment of photoemission by a single-electron wave packet

    SciTech Connect

    Corson, John P.; Peatross, Justin

    2011-11-15

    A quantum-field-theory description of photoemission by a laser-driven single-electron wave packet is presented. We show that, when the incident light is represented with multimode coherent states then, to all orders of perturbation theory, the relative phases of the electron's constituent momenta have no influence on the amount of scattered light. These results are extended using the Furry picture, where the (unidirectional) arbitrary incident light pulse is treated nonperturbatively with Volkov functions. This analysis increases the scope of our prior results in [Phys. Rev. A 84, 053831 (2011)], which demonstrate that the spatial size of the electron wave packet does not influence photoemission.

  17. A Technique for Nanoscale Plasmonic Imaging via Photoemission

    NASA Astrophysics Data System (ADS)

    Pickard, Daniel S.

    2009-03-01

    The scientific community is witnessing increased research activity on Surface Plasmon Polaritons (SPPs). The potential applications of SPPs and plasmonic structures based on their control and manipulation are truly multi-disciplinary, spanning high speed nano-scale interconnects, meta-materials, chemical and biological sensing, sub-wavelength optics and waveguides, near-field optical trapping, high-density data storage, and the enhancement of non-linear effects. Measurement of the localized optical field intensity is a critical component in validating physical models and characterizing plasmonic structures. The dominant technique employed for this task is the Scanning Near-Field Optical Microscope (SNOM) or Photon Scanning Tunneling Microscope (PSTM), whose contrast mechanism is based on measuring light scattered from the near-field with a probe. These techniques can provide high resolution images of the localized fields, but they are slow. Furthermore, tip-sample interactions can perturb the fields, yielding ambiguity between electric and magnetic fields and frustrating attempts at accurate optical characterization. One way to facilitate the advance of plasmonics is to develop new techniques for imaging and characterizing SPP behavior on the nanoscale. Recent efforts employing photoemission to reveal the localized fields have demonstrated that this technique can provide both high spatial (˜10nm) and temporal (fs) resolution when combined with a Photoelectron Emission Microscope (PEEM)[1-3]. The PEEM does not require a probe so the fields can be imaged without perturbation. It also provides a parallel image of the full field, so acquisition times are fast. We are expanding the capabilities of the PEEM to exploit a novel contrast mechanism which will broaden the spectrum of plasmonic devices observable. We present our experimental efforts in this area, detail the underlying physics of the contrast mechanism and discuss how it can be controlled to enable unique

  18. Angle-resolved photoemission spectroscopy (ARPES) studies of cuprate superconductors

    SciTech Connect

    Palczewski, Ari Deibert

    2010-01-01

    This dissertation is comprised of three different angle-resolved photoemission spectroscopy (ARPES) studies on cuprate superconductors. The first study compares the band structure from two different single layer cuprates Tl2Ba2CuO6+δ (Tl2201) Tc, max ≈ 95 K and (Bi 1.35Pb0.85)(Sr1.47La0.38)CuO6+δ (Bi2201) Tc, max ≈ 35 K. The aim of the study was to provide some insight into the reasons why single layer cuprate's maximum transition temperatures are so different. The study found two major differences in the band structure. First, the Fermi surface segments close to (π,0) are more parallel in Tl2201 than in Bi2201. Second, the shadow band usually related to crystal structure is only present in Bi2201, but absent in higher Tc Tl2201. The second study looks at the different ways of doping Bi2Sr2CaCu2O8+δ (Bi2212) in-situ by only changing the post bake-out vacuum conditions and temperature. The aim of the study is to systematically look into the generally overlooked experimental conditions that change the doping of a cleaved sample in ultra high vacuum (UHV) experiments. The study found two major experimental facts. First, in inadequate UHV conditions the carrier concentration of Bi2212 increases with time, due to the absorption of oxygen from CO2/CO molecules, prime contaminants present in UHV systems. Second, in a very clean UHV system at elevated temperatures (above about 200 K), the carrier concentration decreases due to the loss of oxygen atoms from the Bi-O layer. The final study probed the particle-hole symmetry of the pseudogap phase in high temperature superconducting cuprates by looking at the thermally excited bands above the Fermi level. The data showed a particle-hole symmetric pseudogap which symmetrically closes away from the nested FS before the node. The data is consistent

  19. Angle-resolved photoemission spectroscopy at ultra-low temperatures.

    PubMed

    Borisenko, Sergey V; Zabolotnyy, Volodymyr B; Kordyuk, Alexander A; Evtushinsky, Danil V; Kim, Timur K; Carleschi, Emanuela; Doyle, Bryan P; Fittipaldi, Rosalba; Cuoco, Mario; Vecchione, Antonio; Berger, Helmut

    2012-10-09

    The physical properties of a material are defined by its electronic structure. Electrons in solids are characterized by energy (ω) and momentum (k) and the probability to find them in a particular state with given ω and k is described by the spectral function A(k, ω). This function can be directly measured in an experiment based on the well-known photoelectric effect, for the explanation of which Albert Einstein received the Nobel Prize back in 1921. In the photoelectric effect the light shone on a surface ejects electrons from the material. According to Einstein, energy conservation allows one to determine the energy of an electron inside the sample, provided the energy of the light photon and kinetic energy of the outgoing photoelectron are known. Momentum conservation makes it also possible to estimate k relating it to the momentum of the photoelectron by measuring the angle at which the photoelectron left the surface. The modern version of this technique is called Angle-Resolved Photoemission Spectroscopy (ARPES) and exploits both conservation laws in order to determine the electronic structure, i.e. energy and momentum of electrons inside the solid. In order to resolve the details crucial for understanding the topical problems of condensed matter physics, three quantities need to be minimized: uncertainty* in photon energy, uncertainty in kinetic energy of photoelectrons and temperature of the sample. In our approach we combine three recent achievements in the field of synchrotron radiation, surface science and cryogenics. We use synchrotron radiation with tunable photon energy contributing an uncertainty of the order of 1 meV, an electron energy analyzer which detects the kinetic energies with a precision of the order of 1 meV and a He(3) cryostat which allows us to keep the temperature of the sample below 1 K. We discuss the exemplary results obtained on single crystals of Sr2RuO4 and some other materials. The electronic structure of this material can be

  20. Angle-resolved photoemission spectroscopy (ARPES) studies of cuprate superconductors

    SciTech Connect

    Palczewski, Ari Deibert

    2010-01-01

    This dissertation is comprised of three different angle-resolved photoemission spectroscopy (ARPES) studies on cuprate superconductors. The first study compares the band structure from two different single layer cuprates Tl2Ba2CuO6+δ (Tl2201) Tc,max ~95 K and (Bi1.35Pb0.85)(Sr1.47La0.38)CuO6+δ (Bi2201) Tc,max 35 K. The aim of the study was to provide some insight into the reasons why single layer cuprate's maximum transition temperatures are so different. The study found two major di erences in the band structure. First, the Fermi surface segments close to ( π,0) are more parallel in Tl2201 than in Bi2201. Second, the shadow band usually related to crystal structure is only present in Bi2201, but absent in higher Tc Tl2201. The second study looks at the different ways of doping Bi2Sr2CaCu2O8+δ (Bi2212) in-situ by only changing the post bake-out vacuum conditions and temperature. The aim of the study is to systematically look into the generally overlooked experimental conditions that change the doping of a cleaved sample in ultra high vacuum (UHV) experiments. The study found two major experimental facts. First, in inadequate UHV conditions the carrier concentration of Bi2212 increases with time, due to the absorption of oxygen from CO2/CO molecules, prime contaminants present in UHV systems. Second, in a very clean UHV system at elevated temperatures (above about 200 K), the carrier concentration decreases due to the loss of oxygen atoms from the Bi-O layer. The final study probed the particle-hole symmetry of the pseudogap phase in high temperature superconducting cuprates by looking at the thermally excited bands above the Fermi level. The data showed a particle-hole symmetric pseudogap which symmetrically closes away from the nested FS before the node. The data is consistent with a

  1. Recent Photoemission Results for the Electron-Doped Superconductors

    NASA Astrophysics Data System (ADS)

    Matsui, Hiroaki

    2006-03-01

    Recent improvement in the energy and angular resolution of angle-resolved photoemission spectroscopy (ARPES) enabled us to investigate the detailed electronic structure in electron-doped high-temperature superconductors (HTSC), which have a relatively smaller energy-scale of superconductivity compared to hole-doped systems. In this talk, we report our recent ARPES results1,2 focusing on the many-body interaction and the superconducting-gap symmetry in electron-doped HTSC. We have performed high-resolution ARPES measurements on Nd2-xCexCuO4 and observed that the quasiparticle (QP) effective mass around oπ sg&_slash;p is strongly enhanced due to opening of an antiferromagnetic (AF) pseudogap. Both the QP effective mass and the AF pseudogap are strongly anisotropic with the largest magnitude near the hot spot, which is defined as an intersection point of the Fermi surface and the AF zone boundary. Temperature-dependent measurements have revealed that the AF pseudogap survives at temperatures much higher than TN (N'{e}el temperature), possibly due to the short-range AF correlation remaining even above TN. The AF pseudogap gradually decreases with doping and is abruptly filled up near the boundary between the AF and superconducting phases. To study the anisotropy of superconducting gap in electron-doped HTSC, we have performed high-resolution ARPES on Pr0.89LaCe0.11CuO4. We observed that the momentum dependence of superconducting gap is basically consistent with the dx2-y2-wave symmetry, but it obviously deviates from the simple dx2-y2 gap function. The maximum superconducting gap is not observed at the zone boundary as expected from the simple dx2-y2 gap symmetry, but it is located around the hot spot where electrons are thought to be strongly coupled to the AF spin fluctuation. All these ARPES results suggest that the electronic stricture and the superconducting behavior are strongly dominated by the AF interaction in electron-doped HTSC. 1) H. Matsui, K. Terashima

  2. Direct comparative study on the energy level alignments in unoccupied/occupied states of organic semiconductor/electrode interface by constructing in-situ photoemission spectroscopy and Ar gas cluster ion beam sputtering integrated analysis system

    SciTech Connect

    Yun, Dong-Jin Chung, JaeGwan; Kim, Yongsu; Park, Sung-Hoon; Kim, Seong-Heon; Heo, Sung

    2014-10-21

    Through the installation of electron gun and photon detector, an in-situ photoemission and damage-free sputtering integrated analysis system is completely constructed. Therefore, this system enables to accurately characterize the energy level alignments including unoccupied/occupied molecular orbital (LUMO/HOMO) levels at interface region of organic semiconductor/electrode according to depth position. Based on Ultraviolet Photoemission Spectroscopy (UPS), Inverse Photoemission Spectroscopy (IPES), and reflective electron energy loss spectroscopy, the occupied/unoccupied state of in-situ deposited Tris[4-(carbazol-9-yl)phenyl]amine (TCTA) organic semiconductors on Au (E{sub LUMO}: 2.51 eV and E{sub HOMO}: 1.35 eV) and Ti (E{sub LUMO}: 2.19 eV and E{sub HOMO}: 1.69 eV) electrodes are investigated, and the variation of energy level alignments according to work function of electrode (Au: 4.81 eV and Ti: 4.19 eV) is clearly verified. Subsequently, under the same analysis condition, the unoccupied/occupied states at bulk region of TCTA/Au structures are characterized using different Ar gas cluster ion beam (Ar GCIB) and Ar ion sputtering processes, respectively. While the Ar ion sputtering process critically distorts both occupied and unoccupied states in UPS/IPES spectra, the Ar GCIB sputtering process does not give rise to damage on them. Therefore, we clearly confirm that the in-situ photoemission spectroscopy in combination with Ar GCIB sputtering allows of investigating accurate energy level alignments at bulk/interface region as well as surface region of organic semiconductor/electrode structure.

  3. Laser angle-resolved photoemission as a probe of initial state kz dispersion, final-state band gaps, and spin texture of Dirac states in the Bi2Te3 topological insulator

    DOE PAGES

    Ärrälä, Minna; Hafiz, Hasnain; Mou, Daixiang; ...

    2016-10-27

    Here, we have obtained angle-resolved photoemission (ARPES) spectra from single crystals of the topological insulator material Bi2Te3 using tunable laser spectrometer. The spectra were collected for eleven different photon energies ranging from 5.57 to 6.70 eV for incident light polarized linearly along two different in-plane directions. Parallel first-principles, fully relativistic computations of photo-intensities were carried out using the experimental geometry within the framework of the one-step model of photoemission. Good overall accord between theory and experiment is used to gain insight into how properties of the initial and final state band structures as well as those of the topological surfacemore » states and their spin-textures are reflected in the laser-ARPES spectra. In conclusion, our analysis reveals that laser-ARPES is sensitive to both the initial state kz dispersion and the presence of delicate gaps in the final state electronic spectrum.« less

  4. Resonant inelastic x-ray scattering and photoemission measurement of O2: Direct evidence for dependence of Rydberg-valence mixing on vibrational states in O 1s → Rydberg states

    NASA Astrophysics Data System (ADS)

    Gejo, T.; Oura, M.; Tokushima, T.; Horikawa, Y.; Arai, H.; Shin, S.; Kimberg, V.; Kosugi, N.

    2017-07-01

    High-resolution resonant inelastic x-ray scattering (RIXS) and low-energy photoemission spectra of oxygen molecules have been measured for investigating the electronic structure of Rydberg states in the O 1s → σ* energy region. The electronic characteristics of each Rydberg state have been successfully observed, and new assignments are made for several states. The RIXS spectra clearly show that vibrational excitation is very sensitive to the electronic characteristics because of Rydberg-valence mixing and vibronic coupling in O2. This observation constitutes direct experimental evidence that the Rydberg-valence mixing characteristic depends on the vibrational excitation near the avoided crossing of potential surfaces. We also measured the photoemission spectra of metastable oxygen atoms (O*) from O2 excited to 1s → Rydberg states. The broadening of the 4p Rydberg states of O* has been found with isotropic behavior, implying that excited oxygen molecules undergo dissociation with a lifetime of the order of 10 fs in 1s → Rydberg states.

  5. Time-resolved soft X-ray core-level photoemission spectroscopy at 880 °C using the pulsed laser and synchrotron radiation and the pulse heating current

    NASA Astrophysics Data System (ADS)

    Abukawa, T.; Yamamoto, S.; Yukawa, R.; Kanzaki, S.; Mukojima, K.; Matsuda, I.

    2017-02-01

    We developed a time-resolved photoemission spectroscopy system for tracking the temporal variation in an electronic state of a heated sample. Our pump-probe method used laser and synchrotron radiation pulses on a silicon surface that was heated by a synchronized pulse current that did not interfere with the measurements. The transient surface photovoltage effect on the Si 2p core spectra was measured from room temperature to 880 °C and was found to be consistent with the thermal carrier distributions in silicon crystals at the corresponding temperatures. This versatile technique may have applications studying molecular dynamics on high temperature surfaces such as in catalytic reactions.

  6. Effects of molecular potential and geometry on atomic core-level photoemission over an extended energy range: The case study of the CO molecule

    NASA Astrophysics Data System (ADS)

    Kukk, E.; Ayuso, D.; Thomas, T. D.; Decleva, P.; Patanen, M.; Argenti, L.; Plésiat, E.; Palacios, A.; Kooser, K.; Travnikova, O.; Mondal, S.; Kimura, M.; Sakai, K.; Miron, C.; Martín, F.; Ueda, K.

    2013-09-01

    We report an experimental and theoretical study of single-molecule inner-shell photoemission measured over an extended range of photon energies. The vibrational intensity ratios I(ν=1)/I(ν=0) from the C 1s photoelectron spectra of carbon monoxide, although mostly determined by the bond length change upon ionization, are shown to be affected also by photoelectron recoil and by scattering from the neighboring oxygen atom. Static-exchange density functional theory (DFT) is used to encompass all these effects in a unified theoretical treatment. The ab initio calculations show that the vibrational ratio as a function of the photoelectron momentum is sensitive to both the ground-state internuclear distance and its contraction upon photoionization. We present a proof-of-principle application of DFT calculations as a quantitative structural analysis tool for extracting the dynamic and static molecular geometry parameters simultaneously.

  7. Exploring the Electronic Structure and Chemical Homogeneity of Individual Bi2Te3 Nanowires by Nano-Angle-Resolved Photoemission Spectroscopy.

    PubMed

    Krieg, Janina; Chen, Chaoyu; Avila, José; Zhang, Zeying; Sigle, Wilfried; Zhang, Hongbin; Trautmann, Christina; Asensio, Maria Carmen; Toimil-Molares, Maria Eugenia

    2016-07-13

    Due to their high surface-to-volume ratio, cylindrical Bi2Te3 nanowires are employed as model systems to investigate the chemistry and the unique conductive surface states of topological insulator nanomaterials. We report on nanoangle-resolved photoemission spectroscopy (nano-ARPES) characterization of individual cylindrical Bi2Te3 nanowires with a diameter of 100 nm. The nanowires are synthesized by electrochemical deposition inside channels of ion-track etched polymer membranes. Core level spectra recorded with submicron resolution indicate a homogeneous chemical composition along individual nanowires, while nano-ARPES intensity maps reveal the valence band structure at the single nanowire level. First-principles electronic structure calculations for chosen crystallographic orientations are in good agreement with those revealed by nano-ARPES. The successful application of nano-ARPES on single one-dimensional nanostructures constitutes a new avenue to achieve a better understanding of the electronic structure of topological insulator nanomaterials.

  8. Electronic Charges and Electric Potential at LaAlO3/SrTiO3 Interfaces Studied by Core-Level Photoemission Spectroscopy

    SciTech Connect

    Hwang, Harold

    2011-08-19

    We studied LaAlO{sub 3}/SrTiO{sub 3} interfaces for varying LaAlO{sub 3} thickness by core-level photoemission spectroscopy. In Ti 2p spectra for conducting 'n-type' interfaces, Ti{sup 3+} signals appeared, which were absent for insulating 'p-type' interfaces. The Ti{sup 3+} signals increased with LaAlO{sub 3} thickness, but started well below the critical thickness of 4 unit cells for metallic transport. Core-level shifts with LaAlO{sub 3} thickness were much smaller than predicted by the polar catastrophe model. We attribute these observations to surface defects/adsorbates providing charges to the interface even below the critical thickness.

  9. Electric field and temperature dependence of dielectric permittivity in strontium titanate investigated by a photoemission study on Pt/SrTiO3:Nb junctions

    NASA Astrophysics Data System (ADS)

    Hirose, Sakyo; Okushi, Hideyo; Ueda, Shigenori; Yoshikawa, Hideki; Adachi, Yutaka; Ando, Akira; Ohsawa, Takeo; Haneda, Hajime; Ohashi, Naoki

    2015-05-01

    Schottky junctions made from platinum and niobium-doped strontium titanate (SrTiO3:Nb) were investigated by hard X-ray photoemission (HXPES) and through a band bending behavior simulation using a phenomenological model, which assumes a decrease in dielectric constant due to an electric field. Thus, we confirmed that the observed HXPES spectra at relatively high temperatures, e.g., >250 K, were well simulated using this phenomenological model. In contrast, it was inferred that the model was not appropriate for junction behavior at lower temperatures, e.g., <150 K. Therefore, a reconstruction of the phenomenological model is necessary to adequately explain the dielectric properties of SrTiO3.

  10. High-kinetic-energy photoemission spectroscopy of Ni at 1s : 6-eV satellite at 4 eV

    NASA Astrophysics Data System (ADS)

    Karis, O.; Svensson, S.; Rusz, J.; Oppeneer, P. M.; Gorgoi, M.; Schäfers, F.; Braun, W.; Eberhardt, W.; Mårtensson, N.

    2008-12-01

    Electron correlations are responsible for many profound phenomena in solid-state physics. A classical example is the 6-eV satellite in the photoelectron spectrum of Ni. Until now the satellite structure has only been investigated at the L shell and more shallow levels. Here we report a high-kinetic-energy photoemission spectroscopy (HIKE) investigation of Ni metal. We present 1s and 2p photoelectron spectra, obtained using excitation energies up to 12.6 keV. Our investigation demonstrates that the energy position of the satellite relative to the main line is different for the 1s and the 2p levels. In combination with electronic structure calculations, we show that this energy shift is attributed to unique differences in the core-valence coupling for the K and L2,3 shells in 3d transition metals, resulting in different screening of the core holes.

  11. Electric field and temperature dependence of dielectric permittivity in strontium titanate investigated by a photoemission study on Pt/SrTiO{sub 3}:Nb junctions

    SciTech Connect

    Hirose, Sakyo; Okushi, Hideyo; Yoshikawa, Hideki; Adachi, Yutaka; Ohsawa, Takeo; Haneda, Hajime; Ueda, Shigenori; Ando, Akira; Ohashi, Naoki

    2015-05-11

    Schottky junctions made from platinum and niobium-doped strontium titanate (SrTiO{sub 3}:Nb) were investigated by hard X-ray photoemission (HXPES) and through a band bending behavior simulation using a phenomenological model, which assumes a decrease in dielectric constant due to an electric field. Thus, we confirmed that the observed HXPES spectra at relatively high temperatures, e.g., >250 K, were well simulated using this phenomenological model. In contrast, it was inferred that the model was not appropriate for junction behavior at lower temperatures, e.g., <150 K. Therefore, a reconstruction of the phenomenological model is necessary to adequately explain the dielectric properties of SrTiO{sub 3}.

  12. Occupied and unoccupied band structure of Ag(100) determined by photoemission from Ag quantum wells and bulk samples

    NASA Astrophysics Data System (ADS)

    Paggel, J. J.; Miller, T.; Chiang, T.-C.

    2000-01-01

    Angle-resolved photoemission spectra taken from atomically uniform films of Ag on Fe(100) show layer-resolved quantum-well peaks. The measured peak positions as a function of film thickness permit a unique determination of the initial band dispersion via the Bohr-Sommerfeld quantization rule. This information, combined with normal-emission data taken from a single crystal Ag(100), leads to a unique determination of the final band dispersion. In this study, we employ a two-band model with four adjustable parameters for a simultaneous fit to these experimental results. The initial and final band dispersions deduced from the fit are accurate to better than 0.03 eV at any wave vector k within the range of measurement. The analytic formula for the band dispersions and the parameters for the best fit are given for future reference. The Fermi wave vector along [100], normalized to the Brillouin-zone size, is determined to be kF/kΓX=0.828+/-0.001, which is more accurate than the de Haas-van Alphen result. The corresponding Fermi velocity is νF=1.06 in units of the free-electron value. The combined reflection phase for the electron wave at the two boundaries is also deduced and compared with a semiempirical formula. This comparison allows us to deduce the edges of the hybridization gap in the Fe substrate.

  13. Observation of in situ oxidation dynamics of vanadium thin film with ambient pressure X-ray photoemission spectroscopy

    NASA Astrophysics Data System (ADS)

    Kim, Geonhwa; Yoon, Joonseok; Yang, Hyukjun; Lim, Hojoon; Lee, Hyungcheol; Jeong, Changkil; Yun, Hyungjoong; Jeong, Beomgyun; Crumlin, Ethan; Lee, Jouhahn; Lee, Jaeyoung; Ju, Honglyoul; Mun, Bongjin Simon

    2016-11-01

    The evolution of oxidation/reduction states of vanadium oxide thin film was monitored in situ as a function of oxygen pressure and temperature via ambient pressure X-ray photoemission spectroscopy. Spectra analysis showed that VO2 can be grown at a relatively low temperature, T ˜ 523 K, and that V2O5 oxide develops rapidly at elevated oxygen pressure. Raman spectroscopy was applied to confirm the formation of VO2 oxide inside of the film. In addition, the temperature-dependent resistivity measurement on the grown thin film, e.g., 20 nm exhibited a desirable metal-insulator transition of VO2 with a resistivity change of ˜1.5 × 103 times at 349.3 K, displaying typical characteristics of thick VO2 film, e.g., 100 nm thick. Our results not only provide important spectroscopic information for the fabrication of vanadium oxides, but also show that high quality VO2 films can be formed at relatively low temperature, which is highly critical for engineering oxide film for heat-sensitive electronic devices.

  14. Interaction of phosphine with Si(100) from core-level photoemission and real-time scanning tunneling microscopy

    NASA Astrophysics Data System (ADS)

    Lin, Deng-Sung; Ku, Tsai-Shuan; Chen, Ru-Ping

    2000-01-01

    In this paper, we investigate the interaction of phosphine (PH3) on the Si(100)-2×1 surface at temperatures between 635 and 900 K. The hydrogen desorption, growth mode, surface morphology, and chemical composition and ordering of the surface layer are examined by synchrotron radiation core-level photoemission and real-time high-temperature scanning tunneling microscopy. The P 2p core-level spectra indicate that decomposition of PHn is complete above ~550 K and the maximum P coverage is strongly influenced by the growth temperature, which governs the coverage of H-terminated sites. The scanning tunneling microscopy (STM) images taken at real time during PH3 exposure indicate that a surface phosphorus atom readily and randomly displaces one Si atom from the substrate. The ejected Si diffuses, nucleates, and incorporates itself into islands or step edges, leading to similar growth behavior as that found in Si chemical vapor deposition. Line defects both perpendicular and parallel to the dimer rows are observed on the nearly P-saturated surface. Perpendicular line defects act as a strain relief mechanism. Parallel line defects result from growth kinetics. STM images also indicate that incorporating a small amount of phosphorus eliminates the line defects in the Si(100)-2×n surface.

  15. Advances in liquid phase soft-x-ray photoemission spectroscopy: A new experimental setup at BESSY II

    NASA Astrophysics Data System (ADS)

    Seidel, Robert; Pohl, Marvin N.; Ali, Hebatallah; Winter, Bernd; Aziz, Emad F.

    2017-07-01

    A state-of-the-art experimental setup for soft X-ray photo- and Auger-electron spectroscopy from liquid phase has been built for operation at the synchrotron-light facility BESSY II, Berlin. The experimental station is named SOL3, which is derived from solid, solution, and solar, and refers to the aim of studying solid-liquid interfaces, optionally irradiated by photons in the solar spectrum. SOL3 is equipped with a high-transmission hemispherical electron analyzer for detecting electrons emitted from small molecular aggregates, nanoparticles, or biochemical molecules and their components in (aqueous) solutions, either in vacuum or in an ambient pressure environment. In addition to conventional energy-resolved electron detection, SOL3 enables detection of electron angular distributions by the combination of a ±11° acceptance angle of the electron analyzer and a rotation of the analyzer in the polarization plane of the incoming synchrotron-light beam. The present manuscript describes the technical features of SOL3, and we also report the very first measurements of soft-X-ray photoemission spectra from a liquid microjet of neat liquid water and of TiO2-nanoparticle aqueous solution obtained with this new setup, highlighting the necessity for state-of-the-art electron detection.

  16. Direct observation of photocarrier electron dynamics in C60 films on graphite by time-resolved two-photon photoemission

    NASA Astrophysics Data System (ADS)

    Shibuta, Masahiro; Yamamoto, Kazuo; Ohta, Tsutomu; Nakaya, Masato; Eguchi, Toyoaki; Nakajima, Atsushi

    2016-10-01

    Time-resolved two-photon photoemission (TR-2PPE) spectroscopy is employed to probe the electronic states of a C60 fullerene film formed on highly oriented pyrolytic graphite (HOPG), acting as a model two-dimensional (2D) material for multi-layered graphene. Owing to the in-plane sp2-hybridized nature of the HOPG, the TR-2PPE spectra reveal the energetics and dynamics of photocarriers in the C60 film: after hot excitons are nascently formed in C60 via intramolecular excitation by a pump photon, they dissociate into photocarriers of free electrons and the corresponding holes, and the electrons are subsequently detected by a probe photon as photoelectrons. The decay rate of photocarriers from the C60 film into the HOPG is evaluated to be 1.31 × 1012 s‑1, suggesting a weak van der Waals interaction at the interface, where the photocarriers tentatively occupy the lowest unoccupied molecular orbital (LUMO) of C60. The photocarrier electron dynamics following the hot exciton dissociation in the organic thin films has not been realized for any metallic substrates exhibiting strong interactions with the overlayer. Furthermore, the thickness dependence of the electron lifetime in the LUMO reveals that the electron hopping rate in C60 layers is 3.3 ± 1.2 × 1013 s‑1.

  17. Anisotropic electronic band structure of intrinsic Si(110) studied by angle-resolved photoemission spectroscopy and first-principles calculations

    NASA Astrophysics Data System (ADS)

    Matsushita, Stephane Yu; Takayama, Akari; Kawamoto, Erina; Hu, Chunping; Hagiwara, Satoshi; Watanabe, Kazuyuki; Takahashi, Takashi; Suto, Shozo

    2017-09-01

    We have studied the electronic band structure of the hydrogen-terminated Si(110)-(1 ×1 ) [H:Si(110)-(1 ×1 )] surface using angle-resolved photoemission spectroscopy (ARPES) and first-principles calculations in the framework of density functional theory with local density approximation (LDA). The bulk-truncated H:Si(110)-(1 ×1 ) surface is a good template to investigate the electronic band structure of the intrinsic Si(110). In the ARPES spectra, seven bulk states and one surface state due to the H-H interaction are observed clearly. The four bulk states consisting of Si 3 px y orbitals exhibit anisotropic band dispersions along the high symmetric direction of Γ ¯-X ¯ and Γ ¯-X¯' directions, where one state shows one-dimensional character. The calculated band structures show a good agreement with the experimental results except the surface state. We discuss the exact nature of electronic band structures and the applicability of LDA. We have estimated the anisotropic effective masses of electrons and holes of Si(110) for device application.

  18. Direct observation of photocarrier electron dynamics in C60 films on graphite by time-resolved two-photon photoemission

    PubMed Central

    Shibuta, Masahiro; Yamamoto, Kazuo; Ohta, Tsutomu; Nakaya, Masato; Eguchi, Toyoaki; Nakajima, Atsushi

    2016-01-01

    Time-resolved two-photon photoemission (TR-2PPE) spectroscopy is employed to probe the electronic states of a C60 fullerene film formed on highly oriented pyrolytic graphite (HOPG), acting as a model two-dimensional (2D) material for multi-layered graphene. Owing to the in-plane sp2-hybridized nature of the HOPG, the TR-2PPE spectra reveal the energetics and dynamics of photocarriers in the C60 film: after hot excitons are nascently formed in C60 via intramolecular excitation by a pump photon, they dissociate into photocarriers of free electrons and the corresponding holes, and the electrons are subsequently detected by a probe photon as photoelectrons. The decay rate of photocarriers from the C60 film into the HOPG is evaluated to be 1.31 × 1012 s−1, suggesting a weak van der Waals interaction at the interface, where the photocarriers tentatively occupy the lowest unoccupied molecular orbital (LUMO) of C60. The photocarrier electron dynamics following the hot exciton dissociation in the organic thin films has not been realized for any metallic substrates exhibiting strong interactions with the overlayer. Furthermore, the thickness dependence of the electron lifetime in the LUMO reveals that the electron hopping rate in C60 layers is 3.3 ± 1.2 × 1013 s−1. PMID:27775005

  19. Electronic Properties of Gallium Arsenide Surfaces as Characterized by Inverse Photoemission and Auger Photoelectron Coincidence Spectroscopy.

    NASA Astrophysics Data System (ADS)

    Garrison, Karl Claudius

    The unoccupied electronic band structure of GaAs(100) has been probed using k-resolved inverse photoemission spectroscopy (KRIPES). The use of As-capped MBE-grown GaAs(100) surface has enabled us to obtain well-ordered surfaces that exhibit reconstructions characteristic of both the As-terminated (2 x 4) and the Ga-terminated (4 x 2) GaAs(100) surfaces. By studying the electronic structure of two different surface reconstructions on the same bulk semiconductor, we have been able to correlate the electronic structure of GaAs(100) with its geometric structure. In particular, we have detected a surface state at ~1.6 eV above the Fermi level that disperses with the incident electron angle. This state has been associated with the empty Ga-dangling bond and is only seen on the Ga-terminated (4 x 2) surface of GaAs(100). The energy of this state, however, is significantly higher than predicted by total energy DOS calculations. This discrepancy has been associated with quasiparticle excitations not included in the calculations. Using Auger photoelectron coincidence spectroscopy (APECS), we have also studied the core-valence-valance (CVV) Auger decay process for the GaAs(110) surface. APECS enables us to independently separate the Ga-derived and As-derived Auger spectra and to clearly resolve the s-s and s-p Auger contributions. This has led to the discovery of surface-specific electron correlation effects, which have been directly observed for the first time in this study. In addition, we have also investigated the growth of a new class of metallic overlayers on III-V semiconductors: thermally stable, epitaxial, single crystal metallic compound growth on MBE-grown GaAs(100). In particular, we have grown CoGa and ErAs metallic thin films on GaAs(100) and have investigated their properties using a variety of techniques to study the quality of the thin films both during and after growth. Our studies have shown both compounds form good quality single crystals when grown on an

  20. Samarium electrodeposited acetate and oxide thin films on stainless steel substrate characterized by XPS

    DOE PAGES

    Myhre, Kristian; Burns, Jonathan; Meyer, Harry; ...

    2016-06-01

    Characterization of a samarium thin film deposited on a stainless steel substrate using molecular electrodeposition was carried out using a Thermo Scientific K-Alpha X-ray photoelectron spectrometer. We studied two types of samarium electrodeposition samples, one as-deposited and one heated to 700 °C in an air flow. Survey scans include peaks coming from the stainless steel substrate, such as Fe and Cr. An X-ray photoelectron spectroscopy (XPS) survey spectrum, Sm 3d, C 1s, and O 1s narrow scans are shown. It was determined that the heating process decomposed the deposited Sm acetate to Sm2O3 using XPS.

  1. Comparing XPS and ToF-ERDA measurement of high-k dielectric materials

    NASA Astrophysics Data System (ADS)

    Martin, D. M.; Enlund, J.; Kappertz, O.; Jensen, J.

    2008-03-01

    Compositional analysis of aluminium oxy-nitride (AlON) films deposited by reactive magnetron sputtering was performed using time-of-flight elastic recoil detection analysis (ToF-ERDA) and X-ray photoelectron spectroscopy (XPS) with sputter profiling. The composition profiles of the films depend on deposition conditions. The benefits of the different analytical methods are discussed and comparison of the profiles is performed. Conversion of the depth scale from XPS sputter time to a nm scale is implemented and the ToF-ERDA profile fitted. Densities of the deposited AlON films are calculated indicating differing film quality in agreement with the composition profile extracted.

  2. Surface Characterization of Polymer Blends by XPS and ToF-SIMS

    PubMed Central

    Chan, Chi Ming; Weng, Lu-Tao

    2016-01-01

    The surface properties of polymer blends are important for many industrial applications. The physical and chemical properties at the surface of polymer blends can be drastically different from those in the bulk due to the surface segregation of the low surface energy component. X-ray photoelectron spectroscopy (XPS) and time-of-flight secondary mass spectrometry (ToF-SIMS) have been widely used to characterize surface and bulk properties. This review provides a brief introduction to the principles of XPS and ToF-SIMS and their application to the study of the surface physical and chemical properties of polymer blends. PMID:28773777

  3. Investigating early stages of biocorrosion with XPS: AISI 304 stainless steel exposed to Burkholderia species

    NASA Astrophysics Data System (ADS)

    Johansson, Leena-Sisko; Saastamoinen, Tuomas

    1999-04-01

    We have investigated the interactions of an exopolymer-producing bacteria, Burkholderia sp. with polished AISI 304 stainless steel substrates using X-ray photoelectron spectroscopy (XPS). Steel coupons were exposed to the pure bacteria culture in a specially designed flowcell for 6 h during which the experiment was monitored in situ with an optical microscope. XPS results verified the formation of biofilm containing extracellular polymer on all the samples exposed to bacteria. Sputter results indicated that some ions needed for metabolic processes were trapped within the biofilm. Changes in the relative Fe concentration and Fe 2p peak shape indicated that also iron had accumulated into the biofilm.

  4. Reactor Neutrino Spectra

    NASA Astrophysics Data System (ADS)

    Hayes, Anna C.; Vogel, Petr

    2016-10-01

    We present a review of the antineutrino spectra emitted from reactors. Knowledge of these spectra and their associated uncertainties is crucial for neutrino oscillation studies. The spectra used to date have been determined either by converting measured electron spectra to antineutrino spectra or by summing over all of the thousands of transitions that make up the spectra, using modern databases as input. The uncertainties in the subdominant corrections to β-decay plague both methods, and we provide estimates of these uncertainties. Improving on current knowledge of the antineutrino spectra from reactors will require new experiments. Such experiments would also address the so-called reactor neutrino anomaly and the possible origin of the shoulder observed in the antineutrino spectra measured in recent high-statistics reactor neutrino experiments.

  5. UV irradiation study of a tripeptide isolated in an argon matrix: A tautomerism process evidenced by infrared and X-ray photoemission spectroscopies

    NASA Astrophysics Data System (ADS)

    Mateo-Marti, E.; Pradier, C. M.

    2013-05-01

    Matrix isolation is a powerful tool for studying photochemical processes occurring in isolated molecules. In this way, we characterized the chemical modifications occurring within a tri peptide molecule, IGF, when exposed to the influence of Ultraviolet (UV) irradiation. This paper first describes the successful formation of the tripeptide (IGF) argon matrix under vacuum conditions, followed by the in situ UV irradiation and characterization of the molecular matrix reactivity after UV-irradiation. These studies have been performed by combining two complementary spectroscopic techniques, Fourier-Transform Reflexion Absorption Spectroscopy (FT-IRRAS) and X-ray Photoelectron Spectroscopy (XPS). The IR spectra of the isolated peptide-matrix, before and after UV irradiation, revealed significant differences that could be associated either to a partial deprotonation of the molecule or to a tautomeric conversion of some amide bonds to imide ones on some peptide molecules. XPS analyses undoubtedly confirmed the second hypothesis; the combination of IRRAS and XPS results provide evidence that UV irradiation of peptides induces a chemical reaction, namely a shift of the double bond, meaning partial conversion from amide tautomer into an imidic acid tautomer.

  6. Streaking and Wigner time delays in photoemission from atoms and surfaces

    SciTech Connect

    Zhang, C.-H.; Thumm, U.

    2011-09-15

    Streaked photoemission metrology allows the observation of an apparent relative time delay between the detection of photoelectrons from different initial electronic states. This relative delay is obtained by recording the photoelectron yield as a function of the delay between an ionizing ultrashort extended ultraviolet pulse and a streaking infrared (IR) pulse. Theoretically, photoemission delays can be defined based on (i) the phase shift the photoelectron wave function accumulates during the release and propagation of the photoelectron (''Wigner delay'') and, alternatively, (ii) the streaking trace in the calculated photoemission spectrum (''streaking delay''). We investigate the relation between Wigner and streaking delays in the photoemission from atomic and solid-surface targets. For solid targets and assuming a vanishing IR skin depth, both Wigner and streaking delays can be interpreted as an average propagation time needed by photoelectrons to reach the surface, while the two delays differ for nonvanishing skin depths. For atomic targets, the difference between Wigner and streaking delays depends on the range of the ionic potential.

  7. Two-photon photoemission from a copper cathode in an Χ-band photoinjector

    DOE PAGES

    Li, H.; Limborg-Deprey, C.; Adolphsen, C.; ...

    2016-02-24

    This study presents two-photon photoemission from a copper cathode in an X-band photoinjector. We experimentally verified that the electron bunch charge from photoemission out of a copper cathode scales with laser intensity (I) square for 400 nm wavelength photons. We compare this two-photon photoemission process with the single photon process at 266 nm. Despite the high reflectivity (R) of the copper surface for 400 nm photons (R=0.48) and higher thermal energy of photoelectrons (two-photon at 200 nm) compared to 266 nm photoelectrons, the quantum efficiency of the two-photon photoemission process (400 nm) exceeds the single-photon process (266 nm) when themore » incident laser intensity is above 300 GW/cm2. At the same laser pulse energy (E) and other experimental conditions, emitted charge scales inversely with the laser pulse duration. A thermal emittance of 2.7 mm-mrad per mm root mean square (rms) was measured on our cathode which exceeds by sixty percent larger compared to the theoretical predictions, but this discrepancy is similar to previous experimental thermal emittance on copper cathodes with 266 nm photons. The damage of the cathode surface of our first-generation X-band gun from both rf breakdowns and laser impacts mostly explains this result. Using a 400 nm laser can substantially simplify the photoinjector system, and make it an alternative solution for compact pulsed electron sources.« less

  8. Spin Polarization and Attosecond Time Delay in Photoemission from Spin Degenerate States of Solids

    NASA Astrophysics Data System (ADS)

    Fanciulli, Mauro; Volfová, Henrieta; Muff, Stefan; Braun, Jürgen; Ebert, Hubert; Minár, Jan; Heinzmann, Ulrich; Dil, J. Hugo

    2017-02-01

    After photon absorption, electrons from a dispersive band of a solid require a finite time in the photoemission process before being photoemitted as free particles, in line with recent attosecond-resolved photoemission experiments. According to the Eisenbud-Wigner-Smith model, the time delay is due to a phase shift of different transitions that occur in the process. Such a phase shift is also at the origin of the angular dependent spin polarization of the photoelectron beam, observable in spin degenerate systems without angular momentum transfer by the incident photon. We propose a semiquantitative model which permits us to relate spin and time scales in photoemission from condensed matter targets and to better understand spin- and angle-resolved photoemission spectroscopy (SARPES) experiments on spin degenerate systems. We also present the first experimental determination by SARPES of this time delay in a dispersive band, which is found to be greater than 26 as for electrons emitted from the sp-bulk band of the model system Cu(111).

  9. Spin-polarized photoemission spectroscopy of magnetic surfaces using undulator radiation

    NASA Astrophysics Data System (ADS)

    Johnson, P. D.; Brookes, N. B.; Hulbert, S. L.; Klaffky, R.; Clarke, A.; Sinković, B.; Smith, N. V.; Celotta, R.; Kelly, M. H.; Pierce, D. T.; Scheinfein, M. R.; Waclawski, B. J.; Howells, M. R.

    1992-03-01

    A beamline has been established at the National Synchrotron Light Source to perform angle-resolved photoemission experiments on magnetic surfaces with spin sensitivity. The system has two novel features: it uses a miniature electron-spin polarization analyzer and it also uses synchrotron radiation from an undulator rather than a bending magnet.

  10. High resolution-angle resolved photoemission studies of high temperature superconductors

    SciTech Connect

    Olson, C.G.; Liu, R.; Lynch, D.W.; Veal, B.W.; Chang, Y.C.; Jiang, P.Z.; Liu, J.Z.; Paulikas, A.P.; Arko, A.J.; List, R.S.; Argonne National Lab., IL; Los Alamos National Lab., NM )

    1989-08-01

    Recent photoemission studies of Y 123 and Bi 2212 performed with high energy and angular resolution have provided detailed information on the nature of the states near the Fermi level. Measurements of the superconducting gap, band dispersion, and the density of states near the Fermi level in the normal state all support a Fermi liquid description of these materials. 5 refs., 4 figs.

  11. Photoemission of the K/W(100) system in the O2 atmosphere

    NASA Astrophysics Data System (ADS)

    Knat'ko, M. V.; Lapushkin, M. N.

    2017-07-01

    Simultaneous adsorption of potassium and oxygen on W(100) is studied using the threshold photoemission spectroscopy. A metal potassium film is formed on W(100) in the course of coadsorption of potassium and oxygen at the first stage. At the second stage, the film is transformed into a dielectric layer with the K2O2 stoichiometry.

  12. Spin Polarization and Attosecond Time Delay in Photoemission from Spin Degenerate States of Solids.

    PubMed

    Fanciulli, Mauro; Volfová, Henrieta; Muff, Stefan; Braun, Jürgen; Ebert, Hubert; Minár, Jan; Heinzmann, Ulrich; Dil, J Hugo

    2017-02-10

    After photon absorption, electrons from a dispersive band of a solid require a finite time in the photoemission process before being photoemitted as free particles, in line with recent attosecond-resolved photoemission experiments. According to the Eisenbud-Wigner-Smith model, the time delay is due to a phase shift of different transitions that occur in the process. Such a phase shift is also at the origin of the angular dependent spin polarization of the photoelectron beam, observable in spin degenerate systems without angular momentum transfer by the incident photon. We propose a semiquantitative model which permits us to relate spin and time scales in photoemission from condensed matter targets and to better understand spin- and angle-resolved photoemission spectroscopy (SARPES) experiments on spin degenerate systems. We also present the first experimental determination by SARPES of this time delay in a dispersive band, which is found to be greater than 26 as for electrons emitted from the sp-bulk band of the model system Cu(111).

  13. Enhanced the photocatalytic activity of Ni-doped ZnO thin films: Morphological, optical and XPS analysis

    NASA Astrophysics Data System (ADS)

    Abdel-wahab, M. Sh.; Jilani, Asim; Yahia, I. S.; Al-Ghamdi, Attieh A.

    2016-06-01

    Pure and Ni-doped ZnO thin films with different concentration of Ni (3.5 wt%, 5 wt%, 7 wt%) were prepared by DC/RF magnetron sputtering technique. The X-rays diffraction pattern showed the polycrystalline nature of pure and Ni-doped ZnO thin films. The surface morphology of pure and Ni doped ZnO thin films were investigated through atomic force microscope, which indicated the increase in the grain dimension and surface roughness with increasing the Ni doping. The UV-Visible transmission spectra showed the decrease in the transmittance of doped ZnO thin films with the incorporation of Ni dopants. The surface and chemical state analysis of pure and Ni doped ZnO thin films were investigated by X-rays photoelectron spectroscopy (XPS). The photocatalytic activities were evaluated by an aqueous solution of methyl green dye. The tungsten lamp of 500 W was used as a source of visible light for photocatalytic study. The degradation results showed that the Ni-doped ZnO thin films exhibit highly enhanced photocatalytic activity as compared to the pure ZnO thin films. The enhanced photocatalytic activities of Ni-doped ZnO thin films were attributed to the enhanced surface area (surface defects), surface roughness and decreasing the band gap of Ni-doped ZnO thin films. Our work supports the applications of thin film metal oxides in waste water treatment.

  14. Near-ambient pressure XPS of high-temperature surface chemistry in Sr2Co2O5 thin films

    SciTech Connect

    Hong, Wesley T.; Stoerzinger, Kelsey; Crumlin, Ethan J.; Mutoro, Eva; Jeen, Hyoung Jeen; Lee, Ho Nyung; Shao-Horn, Yang

    2016-02-11

    Transition metal perovskite oxides are promising electrocatalysts for the oxygen reduction reaction (ORR) in fuel cells, but a lack of fundamental understanding of oxide surfaces impedes the rational design of novel catalysts with improved device efficiencies. In particular, understanding the surface chemistry of oxides is essential for controlling both catalytic activity and long-term stability. Thus, elucidating the physical nature of species on perovskite surfaces and their catalytic enhancement would generate new insights in developing oxide electrocatalysts. In this article, we perform near-ambient pressure XPS of model brownmillerite Sr2Co2O5 (SCO) epitaxial thin films with different crystallographic orientations. Detailed analysis of the Co 2p spectra suggests that the films lose oxygen as a function of temperature. Moreover, deconvolution of the O 1s spectra shows distinct behavior for (114)-oriented SCO films compared to (001)-oriented SCO films, where an additional bulk oxygen species is observed. These findings indicate a change to a perovskite-like oxygen chemistry that occurs more easily in (114) SCO than (001) SCO, likely due to the orientation of oxygen vacancy channels out-of-plane with respect to the film surface. This difference in surface chemistry is responsible for the anisotropy of the oxygen surface exchange coefficient of SCO and may contribute to the enhanced ORR kinetics of La0.8Sr0.2CoO3-δ thin films by SCO surface particles observed previously.

  15. En route to traceable reference standards for surface group quantifications by XPS, NMR and fluorescence spectroscopy.

    PubMed

    Hennig, Andreas; Dietrich, Paul M; Hemmann, Felix; Thiele, Thomas; Borcherding, Heike; Hoffmann, Angelika; Schedler, Uwe; Jäger, Christian; Resch-Genger, Ute; Unger, Wolfgang E S

    2015-03-21

    The fluorine content of polymer particles labelled with 2,2,2-trifluoroethylamine was reliably quantified with overlapping sensitivity ranges by XPS and solid-state NMR. This provides a first step towards reference materials for the metrological traceability of surface group quantifications. The extension of this concept to fluorescence spectroscopy is illustrated.

  16. Deteriorated hardened cement paste structure analyzed by XPS and {sup 29}Si NMR techniques

    SciTech Connect

    Kurumisawa, Kiyofumi; Nawa, Toyoharu; Owada, Hitoshi; Shibata, Masahito

    2013-10-15

    In this report, X-ray photoelectron spectroscopy (XPS) and {sup 29}Si-MAS-NMR was used for the evaluation of deteriorated hardened cement pastes. The deterioration by ammonium nitrate solution was accompanied by changes in the pore structure as well as by structural changes in the C–S–H in the hardened cement paste. The CaO/SiO{sub 2} ratio of the C–S–H decreased with the progress of deterioration, there was also polymerization of the silicate in the C–S–H. It was confirmed that the degree of polymerization of silicate of the C–S–H in hardened cement paste can be determined by XPS. It was also shown that the polymerization depends on the structure of the C–S–H. -- Highlights: •The polymerization of silicate of the C–S–H in the HCP can be observed by XPS. •The structure of C–S–H changed with the degree of calcium leaching. •The NMR result about silicate in C–S–H was in good agreement with the XPS result.

  17. Sputter-induced erosion of alkali metal surfaces - AES, XPS and SIMS studies

    SciTech Connect

    Krauss, A.R.

    1982-01-01

    This paper will discuss the manner in which the techniques of Auger-electron spectroscopy (AES), X-ray-photoelectron spectroscopy (XPS), secondary-ion mass spectroscopy (SIMS) and ion-scattering spectroscopy (ISS) may be used to study the use of high secondary-ion-yield surfaces as a means of reducing plasma-impurity influx in magnetic-confinement fusion devices.

  18. X-ray Photoelectron Spectroscopy (XPS), Rutherford Back Scattering (RBS) studies

    NASA Technical Reports Server (NTRS)

    Neely, W. C.; Bozak, M. J.; Williams, J. R.

    1993-01-01

    X-ray photoelectron spectroscopy (XPS), Rutherford Back Scattering (RBS) studies of each of sample received were completed. Since low angle X-ray could not be performed because of instrumentation problems, Auger spectrometry was employed instead. The results of these measurements for each of the samples is discussed in turn.

  19. Thermally Annealed Iron (Oxide) Thin Film on an Alumina Barrier Layer, by XPS

    SciTech Connect

    Madaan, Nitesh; Kanyal, Supriya S.; Jensen, David S.; Vail, Michael A.; Dadson, Andrew; Engelhard, Mark H.; Linford, Matthew R.

    2013-09-06

    Herein we show characterization of an Fe thin film on Al_2O_3 after thermal annealing under H_2 using Al Ka X-rays. The XPS survey spectrum, narrow Fe 2p scan, and valence band regions are presented. The survey spectrum shows aluminum signals due to exposure of the underlying Al_2O_3 film during Fe nanoparticle formation.

  20. XPS and ion beam scattering studies of leaching in simulated waste glass containing uranium

    SciTech Connect

    Karim, D.P.; Pronko, P.P.; Marcuso, T.L.M.; Lam, D.J.; Paulikas, A.P.

    1980-01-01

    Glass samples (consisting of 2 mole % UO/sub 3/ dissolved in a number of complex borosilicate simulated waste glasses including Battelle 76-68) were leached for varying times in distilled water at 75/sup 0/C. The glass surfaces were examined before and after leaching using x-ray photoemission spectroscopy and back-scattered ion beam profiling. Leached samples showed enhanced surface layer concentrations of several elements including uranium, titanium, zinc, iron and rare earths. An experiment involving the leaching of two glasses in the same vessel showed that the uranium surface enhancement is probably not due to redeposition from solution.

  1. Photoemission Studies on N-Substituted Dithienylated Phenothiazines.

    PubMed

    Fingerle, Mathias; Hemgesberg, Maximilian; Schmitt, Yvonne; Lach, Stefan; Gerhards, Markus; Thiel, Werner R; Ziegler, Christiane

    2015-06-22

    Dithienylated phenothiazines (DTPTs) with different functional groups attached to the central nitrogen atom are presented as a class of versatile metal-free chromophores for the design of dye-sensitized solar cells (DSSCs) and organic light-emitting diodes (OLEDs). The electronic characteristics of spin-coated thin films on polycrystalline gold were studied using photoelectron spectroscopy assisted by theoretical calculations, scanning force microscopy, and UV/Vis spectroscopy. Complementary fluorescence spectra show light emission in the blue region (465 nm). The absorption properties and good hole-transporting abilities make DTPTs feasible hole-transporting materials (HTM) and metal-free chromophores in UV-sensitive solar cell designs.

  2. Photoemission and optical properties of C{sub 60} fullerites

    SciTech Connect

    Shirley, E.L.; Louie, S.G. |

    1994-08-01

    A theory is presented for excitations in undoped, solid C{sub 60} involving addition or removal of an electron, as well as creation of an electron-hole pair. Excitation energies are computed using a quasiparticle description of electrons and holes, plus a model for electron-hole interactions. Results are compared with those of direct and inverse photoelectron and optical absorption spectroscopy studies. Reasonable agreement is found in such comparisons, while more complete modeling of experimental spectra might include neglected matrix-element and vibrational effects. These results give values for simple, conceptual parameters, such as a molecular Hubbard U. Some results could also be relevant in doped fullerites.

  3. CoOx thin film deposited by CVD as efficient water oxidation catalyst: change of oxidation state in XPS and its correlation to electrochemical activity.

    PubMed

    Weidler, Natascha; Paulus, Sarina; Schuch, Jona; Klett, Joachim; Hoch, Sascha; Stenner, Patrick; Maljusch, Artjom; Brötz, Joachim; Wittich, Carolin; Kaiser, Bernhard; Jaegermann, Wolfram

    2016-04-28

    To reduce energy losses in water electrolysers a fundamental understanding of the water oxidation reaction steps is necessary to design efficient oxygen evolution catalysts. Here we present CoOx/Ti electrocatalytic films deposited by thermal and plasma enhanced chemical vapor deposition (CVD) onto titanium substrates. We report electrochemical (EC), photoelectron spectroscopy (XPS) and scanning electron microscopy (SEM) measurements. The electrochemical behavior of the samples was correlated with the chemical and electronic structure by recording XPS spectra before and after each electrochemical treatment (conditioning and cyclovoltammetry). The results show that the electrochemical behavior of CoOx/Ti strongly depends on the resulting electronic structure and composition. The thermal deposition leads to the formation of a pure Co(II)Ox which transforms to a mixed Co(II)Co(III)Ox during the OER. This change in oxidation state is coupled with a decrease in overpotential from η = 0.57 V to η = 0.43 V at 5 mA cm(-2). Plasma deposition in oxygen leads to a Co(III)-dominated mixed CoOx, that has a lower onset potential as deposited due to a higher Co(III) content in the initial deposited material. After the OER XPS results of the CoOx/Ti indicate a partial formation of hydroxides and oxyhydroxides on the oxide surface. Finally the plasma deposition in air, results in a CoOxOH2 surface, that is able to completely oxidizes during OER to an oxyhydroxide Co(III)OOH. With the in situ formed CoOOH we present a highly active catalyst for the OER (η = 0.34 at 5 mA cm(-2); η = 0.37 V at 10 mA cm(-2)).

  4. Electronic spectra of semiconductor nanocrystals

    SciTech Connect

    Alivisatos, A.P.

    1993-12-31

    Semiconductor nanocrystals smaller than the bulk exciton show substantial quantum confinement effects. Recent experiments including Stark effect, resonance Raman, valence band photoemission, and near edge X-ray adsorption will be used to put together a picture of the nanocrystal electronic states.

  5. Characterization of heterojunctions via x-ray and uv photoemission spectroscopy: energy level implications for single and mixed monolayer SAMs, cadmium selenide nanoparticle films, and organic semiconductor depositions

    NASA Astrophysics Data System (ADS)

    Graham, Amy L.

    This work has centered on the interface dipoles arising at heterojunctions between metals, semiconductor nanoparticles, self-assembled monolayers, and organic semiconductor materials. Alkanethiol self-assembled monolayers, CdSe nanocrystals, and the organic semiconductors zinc phthalocyanine (ZnPc) and Buckminster fullerene (C60) were the basis of these investigations. UV photoemission spectroscopy has proven to be an invaluable tool to observe the vacuum level shifts for these analyses while using XPS to corroborate surface structure. With a full evaluation of these surfaces, the shifts in the vacuum level, valence ionizations, and core ionizations, the impact of these interfaces, as well as their influence on the subsequent deposition of organic semiconductor layers is established. Alkanethiols possessing varying dipole moments were examined on gold and silver substrates. The viability of these alkanethiols was demonstrated to predictively adjust the work function of these metals as a function of their intrinsic dipole moments projected to surface normal, and established differences between Ag---S and Au---S bonds. The capability of the SAMs to modify the work function of gold provided an opportunity for mixed monolayers of the alkanethiols to produce a precise range of work functions by minimal adjustments of solution concentration, which were examined with a simple point dipole model. Photoemission spectroscopy offers a thorough analysis of CdSe nanoparticle films. Despite a plethora of research on these nanocrystals, there still is controversy on the magnitude of the shift in the valence band with diameter. In our research we found the majority of the valence band shift could be attributed to the interface dipole, ignored previously. Meanwhile, the valence band tethered films was obscured by the sulfur of the thiol tether. Finally, organic semiconductor layers deposited on SAMs on gold exhibited various interface dipole effects at these heterojunctions. Charge

  6. XPS study of reductive dissolution of birnessite by oxalate: Rates and mechanistic aspects of dissolution and redox processes

    SciTech Connect

    Banerjee, D.; Nesbitt, H.W.

    1999-10-01

    Reductive dissolution of synthetic 7{angstrom}-birnessite [MnO{sub 1.7}(OH){sub 0.25} or MnO{sub 1.95}] by Na-oxalate produces a Mn(III) intermediate reaction product (here represented as MnOOH) which subsequently reacts with sorbed (COO){sub 2}{sup {minus}2} to form an unreactive Mn(III)-oxalate surface complex at the solution-mineral interface. X-ray Photoelectron Spectroscopy (XPS) results from Mn2p{sub 3/2}, C1s and O1s spectra of reacted surfaces reveal that initially rapid production of CO{sub 2} results in accumulation of CO{sub 2} at the reaction interface. After about 15 min, the reaction rate decreases to the point where CO{sub 2} desorption keeps pace with accumulation. Surface concentrations of CO{sub 2} suggest that the rate of CO{sub 2} production decreases with time, until after 10 hr of reaction, it is undetectable. Reduction of Mn(IV) to Mn(III) suggests that the MnO{sub 2}-oxalate redox reaction proceeds as a transfer of one electron per metal center. There is no XPS evidence for reduction of Mn(III) from birnessite to Mn(II) in the presence of oxalate. Although this reaction proceeds in presence of arsenite, it is inhibited by oxalate, probably through formation of a strong Mn(III)-oxalate surface complex (either monodentate or bidentate). This hypothesis is consistent with Mn{sup 3+} (aq) stabilization by oxalate in aqueous solutions. Further study using X-ray absorption spectroscopy (XAS) is required for a better understanding of the structure of the surface complexes. Rate of release of soluble Mn(II) to dilute oxalate solutions (5 x 10{sup {minus}4} M) is lower by an order of magnitude than the rate of release to aerated, distilled water at similar pH. Apparently, the process of proton-promoted dissolution of the soluble Mn(II) component of birnessite in distilled water is impeded by the addition of oxalate, probably by formation of a binuclear, bidentate surface complex between Mn(II, III) and adsorbed oxalate ions.

  7. Investigation on the sulfur state and phase transformation of spent and regenerated S zorb sorbents using XPS and XRD

    NASA Astrophysics Data System (ADS)

    Qiu, Limei; Zou, Kang; Xu, Guangtong

    2013-02-01

    A series of industrial S zorb sorbents extracted from production line were characterized by XPS and XRD. The formation of ZnAl2O4 and Zn2SiO4 is the major reason for the deactivation of spent sorbent. The stability of the Zn-containing spinel species leads to the decrease of the desulfurization efficiency of regenerated sorbent. The chemical states of sulfur atom were examined by XPS. The depth distribution of sulfur species and the reductive behavior of sulfate in H2 atmosphere were explored using Ar+ etching XPS and in situ XPS. The formation of sulfate species in the regeneration process decreases the content of ZnO in the surface significantly and should be avoided. XPS and XRD are excellent tools to follow the sulfur chemical states and phase evolution of S zorb sorbent, respectively, which provide important information for the investigation of deactivation pathways and regenerated mechanisms for S zorb sorbent.

  8. Observation of two-photon photoemission from cesium telluride photocathodes excited by a near-infrared laser

    NASA Astrophysics Data System (ADS)

    Panuganti, H.; Piot, P.

    2017-02-01

    We explore the nonlinear photoemission in cesium telluride (Cs2Te) photocathodes where an ultrashort (˜100 fs full width at half max) 800-nm infrared laser is used as the drive-laser in lieu of the typical ˜266-nm ultraviolet laser. An important figure of merit for photocathodes, the quantum efficiency, we define here for nonlinear photoemission processes in order to compare with linear photoemission. The charge against drive-laser (infrared) energy is studied for different laser energy and intensity values and cross-compared with previously performed similar studies on copper [P. Musumeci et al., Phys. Rev. Lett. 104, 084801 (2010)], a metallic photocathode. We particularly observe two-photon photoemission in Cs2Te using the infrared laser in contrast to the anticipated three-photon process as observed for metallic photocathodes.

  9. Reply to J. Hlavka's Comment on Role of Photocurrent in Low Temperature Photoemission Studies of Schottky-Barrier Formation

    NASA Technical Reports Server (NTRS)

    Hecht, M.

    1997-01-01

    Dr. Hlavka addresses three aspects of the treatment of temperature dependent photovoltage effects in photoemission spectroscopy of Schottky barrier formation which were first published in references 1 and 2.

  10. Photographic spectra of fireballs

    NASA Astrophysics Data System (ADS)

    Borovička, J.

    2016-01-01

    Two methods of spectroscopy of meteors using image intensified video cameras and classical photographic film cameras are compared. Video cameras provide large number of low resolution spectra of meteors of normal brightness, which can be used for statistical studies. Large format film cameras have been used through the history and provide high resolution spectra, which can be used to derive temperature, density and absolute abundances of various elements in the radiating plasma. The sensitivity of films is, however, low and only spectra of bright meteors (fireballs) can be studied. Examples of photographic fireball spectra are provided.

  11. Crack spectra analysis

    SciTech Connect

    Tiernan, M.

    1980-09-01

    Crack spectra derived from velocity data have been shown to exhibit systematics which reflect microstructural and textural differences between samples (Warren and Tiernan, 1980). Further research into both properties and information content of crack spectra have yielded the following: Spectral features are reproducible even at low pressures; certain observed spectral features may correspond to non-in-situ crack populations created during sample retrieval; the functional form of a crack spectra may be diagnostic of the sample's grain texture; hysteresis is observed in crack spectra between up and down pressure runs - it may be due to friction between the faces of closed crack populations.

  12. Optimisation of NSLS-II Blade X-ray Beam Position Monitors: from Photoemission type to Diamond Detector

    SciTech Connect

    ILINSKI P.

    2012-07-10

    Optimisation of blade type x-ray beam position monitors (XBPM) was performed for NSLS-II undulator IVU20. Blade material, con and #64257;guration and operation principle was analysed in order to improve XBPM performance. Optimisation is based on calculation of the XBPM signal spatial distribution. Along with standard photoemission type XBPM a Diamond Detector Blades (DDB) were analysed as blades for XBPMs. DDB XBPMs can help to overcome drawbacks of the photoemission blade XBPMs.

  13. Spin-orbit-induced photoelectron spin polarization in angle-resolved photoemission from both atomic and condensed matter targets.

    PubMed

    Heinzmann, Ulrich; Dil, J Hugo

    2012-05-02

    The existence of highly spin polarized photoelectrons emitted from non-magnetic solids as well as from unpolarized atoms and molecules has been found to be very common in many studies over the past 40 years. This so-called Fano effect is based upon the influence of the spin-orbit interaction in the photoionization or the photoemission process. In a non-angle-resolved photoemission experiment, circularly polarized radiation has to be used to create spin polarized photoelectrons, while in angle-resolved photoemission even unpolarized or linearly polarized radiation is sufficient to get a high spin polarization. In past years the Rashba effect has become very important in the angle-resolved photoemission of solid surfaces, also with an observed high photoelectron spin polarization. It is the purpose of the present topical review to cross-compare the spin polarization experimentally found in angle-resolved photoelectron emission spectroscopy of condensed matter with that of free atoms, to compare it with the Rashba effect and topological insulators to describe the influence and the importance of the spin-orbit interaction and to show and disentangle the matrix element and phase shift effects therein.The relationship between the energy dispersion of these phase shifts and the emission delay of photoelectron emission in attosecond-resolved photoemission is also discussed. Furthermore the influence of chiral structures of the photo-effect target on the spin polarization, the interferences of different spin components in coherent superpositions in photoemission and a cross-comparison of spin polarization in photoemission from non-magnetic solids with XMCD on magnetic materials are presented; these are all based upon the influence of the spin-orbit interaction in angle-resolved photoemission.

  14. Adsorption of acetic acid on ice studied by ambient-pressure XPS and partial-electron-yield NEXAFS spectroscopy at 230-240 K.

    PubMed

    Křepelová, Adéla; Bartels-Rausch, Thorsten; Brown, Matthew A; Bluhm, Hendrik; Ammann, Markus

    2013-01-17

    Ice plays a key role in the environment, and the ice-air interface influences heterogeneous chemical reactions between snowpack or cirrus clouds and the surrounding air. Soluble gases have been suspected to affect the topmost, disordered layer on ice (often referred to as a quasiliquid layer, QLL). Changes are especially expected in the hydrogen-bonding structure of water in the presence of solutes at the ice surface. Here, we used ambient-pressure X-ray photoelectron spectroscopy (XPS) to detect acetic acid at the ice surface at 230-240 K under atmospheric conditions for the first time. Electron-kinetic-energy-dependent C 1s spectra indicate that acetic acid remains confined to the topmost ice surface layers. Spectral analysis provides information about the protonation state of acetate at the ice surface. Surface-sensitive Auger-electron-yield C-edge near-edge X-ray absorption fine structure (NEXAFS) spectra were recorded to probe the molecular state of the adsorbed species. The O-edge NEXAFS spectra show only minor differences between clean ice and ice with adsorbed acetic acid and thus indicate that acetic acid does not lead to an extended disordered layer on the ice surface between 230 and 240 K.

  15. New Pt/Alumina model catalysts for STM and in situ XPS studies

    NASA Astrophysics Data System (ADS)

    Nartova, Anna V.; Gharachorlou, Amir; Bukhtiyarov, Andrey V.; Kvon, Ren I.; Bukhtiyarov, Valerii I.

    2017-04-01

    The new Pt/alumina model catalysts for STM and in situ XPS studies based on thin alumina film formed over the conductive substrate are proposed. Procedure of platinum deposition developed for porous alumina was adapted for the model alumina support. The set of Pt/AlOx-film samples with the different mean platinum particle size was prepared. Capabilities of in situ XPS investigations of the proposed catalysts were demonstrated in study of NO decomposition on platinum nanoparticles. It is shown that proposed model catalysts behave similarly to Pt/γ-Al2O3 and provide the new opportunities for the instrumental studies of platinum catalysts due to resolving several issues (charging, heating, screening) that are typical for the investigation of the porous oxide supported catalysts.

  16. RBS, ERDA and XPS study of Ag and Cu diffusion in PET and PI polymer foils

    NASA Astrophysics Data System (ADS)

    Macková, Anna; Peřina, Vratislav; Švorčík, Václav; Zemek, Josef

    2005-10-01

    Diffusion of Ag and Cu atoms in polyethyleneterephtalate (PET) and polyimide (PI) was studied using Rutherford backscattering spectroscopy (RBS) and elastic recoil detection analysis (ERDA). The samples were prepared by deposition of Ag and Cu thin layers on polymer surface using CVD and diode sputtering techniques. Samples were annealed at temperatures up to 240 °C. X-ray Photoelectron Spectroscopy (XPS) was used for determination of metal-polymer interaction and chemical state of atoms on metal-polymer interface. Faster diffusion of Ag atoms was observed from non-compact Ag layers prepared by diode sputtering than from those prepared by CVD technique. Ag atoms show higher mobility in PET in comparison with PI. XPS measurement gives an evidence of Ag clustering in Ag-PET samples prepared by cathode sputtering. In PI the Cu atoms exhibit higher diffusivity than Ag atoms due to their lower atomic radius.

  17. Samarium electrodeposited acetate and oxide thin films on stainless steel substrate characterized by XPS

    SciTech Connect

    Myhre, Kristian; Burns, Jonathan; Meyer, Harry; Sims, Nathan; Boll, Rose

    2016-06-01

    Characterization of a samarium thin film deposited on a stainless steel substrate using molecular electrodeposition was carried out using a Thermo Scientific K-Alpha X-ray photoelectron spectrometer. We studied two types of samarium electrodeposition samples, one as-deposited and one heated to 700 °C in an air flow. Survey scans include peaks coming from the stainless steel substrate, such as Fe and Cr. An X-ray photoelectron spectroscopy (XPS) survey spectrum, Sm 3d, C 1s, and O 1s narrow scans are shown. It was determined that the heating process decomposed the deposited Sm acetate to Sm2O3 using XPS.

  18. Samarium electrodeposited acetate and oxide thin films on stainless steel substrate characterized by XPS

    SciTech Connect

    Myhre, Kristian; Burns, Jonathan; Meyer, Harry; Sims, Nathan; Boll, Rose

    2016-06-01

    Characterization of a samarium thin film deposited on a stainless steel substrate using molecular electrodeposition was carried out using a Thermo Scientific K-Alpha X-ray photoelectron spectrometer. We studied two types of samarium electrodeposition samples, one as-deposited and one heated to 700 °C in an air flow. Survey scans include peaks coming from the stainless steel substrate, such as Fe and Cr. An X-ray photoelectron spectroscopy (XPS) survey spectrum, Sm 3d, C 1s, and O 1s narrow scans are shown. It was determined that the heating process decomposed the deposited Sm acetate to Sm2O3 using XPS.

  19. An XPS study of gold deposition at low temperatures on sulfide minerals: Reducing agents

    SciTech Connect

    Hyland, M.M.; Bancroft, G.M. )

    1989-02-01

    The reduction of KAuCl{sub 4} to metallic gold by pyrite, high iron content sphalerite and galena was studied using surface analytical and solution techniques, including X-ray photoelectron spectroscopy (XPS) and atomic absorption spectroscopy (A.A.). High resolution XPS of the reacted mineral showed that the mineral surface is the Au reducing agent. On galena and high iron sphalerite, a corroded layer forms rapidly as S{sup 2 minus} is oxidized to polysulfides, S{sup 2{minus}}{sub x}, and the metals are leached from the surface. Although Au is also reduced on pyrite, the formation of surface polysulfide is not concurrent with Au reduction. Solution analysis for the pyrite and high iron sphalerite reactions shows, however, that considerable sulfate is produced due to the oxidation of S{sup 2{minus}}, S{sup 2{minus}}{sub 2} or the intermediate polysulphide.

  20. Toward a better determination of dairy powders surface composition through XPS matrices development.

    PubMed

    Nikolova, Y; Petit, J; Sanders, C; Gianfrancesco, A; Scher, J; Gaiani, C

    2015-01-01

    The surface composition of dairy powders prepared by mixing various amounts of micellar casein (MC), whey proteins isolate (WPI), lactose, and anhydrous milk fat (AMF) was investigated by XPS measurements. The use of matrices are generally accepted to transform surface atomic composition (i.e., C, O, N contents) into surface component composition (i.e., lactose, proteins, lipids). These atomic-based matrices were revisited and two new matrices based on the surface bond composition were developed. Surface compositions obtained from atomic and bond-based matrices were compared. A successful matrix allowing good correlations between XPS predicted and theoretical surface composition for powders free from fat was identified. Nevertheless, samples containing milk fat were found to present a possible segregation of components owing to the AMF overrepresentation on the surface. Supplementary analyses (FTIR, SEM) were carried out in order to investigate the homogeneity of the mixtures. Copyright © 2014 Elsevier B.V. All rights reserved.

  1. 1015 cm-3 eV-1 level detection of density of states of a p-type polymer by hν-dependent high-sensitivity ultraviolet photoemission spectroscopy

    NASA Astrophysics Data System (ADS)

    Sato, Tomoya; Kinjo, Hiroumi; Yamazaki, Junki; Ishii, Hisao

    2017-01-01

    We propose a method, called hν-dependent high-sensitivity ultraviolet photoemission spectroscopy, to observe the density of states (DOS) in a very wide range from HOMO to extremely weak gap states (1022 to 1015 cm-3 eV-1 in density of states). The method was applied to a p-type semiconducting polymer. A series of spectra for hν = 4.4-7.7 eV were recorded, and the DOS was obtained by overlapping the spectral part with a similar line shape between adjacent photon energy spectra to eliminate the photon energy dependence of the photoionization cross section. This method can be applied to both organic and inorganic materials, providing useful information about the DOS of functional materials.

  2. In Situ Studies of Surface Mobility on Noble Metal Model Catalysts Using STM and XPS at Ambient Pressure

    SciTech Connect

    Butcher, Derek Robert

    2010-06-01

    are present on the Pt(100) hex reconstructed phase, but not the (100)-(1x1) surface. The increase in ethylene pressure caused the adsorbate interactions to dominate the crystal morphology and imposed a surface layer structure that matched the ethylidyne binding geometry. The STM results also showed that the surface was reversibly deformed during imaging due to increases in Pt mobility at high pressure. The size dependence on the activity and surface chemistry of Rh nanoparticles was studied using AP-XPS. The activity was found to increase with particle size. The XPS spectra show that in reaction conditions the particle surface has an oxide layer which is chemically distinct from the surface structure formed by heating in oxygen alone. This surface oxide which is stabilized in the catalytically active CO oxidation conditions was found to be more prevalent on the smaller nanoparticles. The reaction-induced surface segregation behavior of bimetallic noble metal nanoparticles was observed with APXPS. Monodisperse 15 nm RhPd and PdPt nanoparticles were synthesized with well controlled Rh/Pd and Pd/Pt compositions. In-situ XPS studies showed that at 300 C in the presence of an oxidizing environment (100 mTorr NO or O2) the surface concentration of the more easily oxidized element (Rh in RhPd and Pd in PdPt) was increased. Switching the gas environment to more reducing conditions (100 mTorr NO and 100 mTorr CO) caused the surface enrichment of the element with the lowest surface energy in its metallic state. Using in-situ characterization, the redox chemistry and the surface composition of bimetallic nanoparticle samples were monitored in reactive conditions. The particle surfaces were shown to reversibly restructure in response to the gas environment at high temperature. The oxidation behavior of the Pt(110) surface was studied using surface sensitive in-situ characterization by APXPS and STM. In the presence of 500 mTorr O2 and temperatures between 25

  3. An X-Ray Photoelectron Spectroscopy (XPS) Study of Activated Carbons Impregnated with some Organocopper Complexes,

    DTIC Science & Technology

    1993-10-01

    AD-A282 721 l lllllll a Dfene Defence nationals AN X.RAY PHOTOELECTRON SPECTROSCOPY (XPS) STUDY OF ACTIVATED CARBONS IMPREGNATED WITH SOME... ammoniacal solution as a carrier into which all impregnants (except TEDA) were dissolved. Without a suitable carrier, and with the inherent low vapor...and will not be repeated here. All five complexes were synthesized at DREO using known methods. 2 2.2 IMPREGNATING PROCEDURES Two impregnating

  4. XPS and EDX study on an RuKL zeolite hydrogenation catalyst

    NASA Astrophysics Data System (ADS)

    Liu, You Ying; Zhao, Weijun; Zhang, Shuji; Fang, Yanquan

    Among several zeolite catalysts, synthesized in our laboratories, for hydrogenation reactions, an RuKL zeolite catalyst appeared to be the best. The activity of this RuKL catalyst remained nearly constant after several hydrogenation cycles. To understand the nature of the catalyst XPS and EDX have been applied. According to the analytical results the active components in the catalyst are Ru 3+ and Ru 0.

  5. Conduction-band electronic states of YbInCu{sub 4} studied by photoemission and soft x-ray absorption spectroscopies

    SciTech Connect

    Utsumi, Yuki; Kurihara, Hidenao; Maso, Hiroyuki; Tobimatsu, Komei; Sato, Hitoshi; Shimada, Kenya; Namatame, Hirofumi; Hiraoka, Koichi; Kojima, Kenichi; Ohkochi, Takuo; Fujimori, Shin-ichi; Takeda, Yukiharu; Saitoh, Yuji; Mimura, Kojiro; Ueda, Shigenori; Yamashita, Yoshiyuki; Yoshikawa, Hideki; Kobayashi, Keisuke; Oguchi, Tamio; Taniguchi, Masaki

    2011-09-15

    We have studied conduction-band (CB) electronic states of a typical valence-transition compound YbInCu{sub 4} by means of temperature-dependent hard x-ray photoemission spectroscopy (HX-PES) of the Cu 2p{sub 3/2} and In 3d{sub 5/2} core states taken at h{nu}=5.95 keV, soft x-ray absorption spectroscopy (XAS) of the Cu 2p{sub 3/2} core absorption region around h{nu}{approx}935 eV, and soft x-ray photoemission spectroscopy (SX-PES) of the valence band at the Cu 2p{sub 3/2} absorption edge of h{nu}=933.0 eV. With decreasing temperature below the valence transition at T{sub V}=42 K, we have found that (1) the Cu 2p{sub 3/2} and In 3d{sub 5/2} peaks in the HX-PES spectra exhibit the energy shift toward the lower binding-energy side by {approx}40 and {approx}30 meV, respectively, (2) an energy position of the Cu 2p{sub 3/2} main absorption peak in the XAS spectrum is shifted toward higher photon-energy side by {approx}100 meV, with an appearance of a shoulder structure below the Cu 2p{sub 3/2} main absorption peak, and (3) an intensity of the Cu L{sub 3}VV Auger spectrum is abruptly enhanced. These experimental results suggest that the Fermi level of the CB-derived density of states is shifted toward the lower binding-energy side. We have described the valence transition in YbInCu{sub 4} in terms of the charge transfer from the CB to Yb 4f states.

  6. Electronic and spin structures of solids investigated by means of synchrotron radiation photoemission

    NASA Astrophysics Data System (ADS)

    Taniguchi, M.; Iwasawa, H.; Miyamoto, K.; Okuda, T.

    2013-12-01

    Recent progress in research on electronic and spin structures of solids and instrumentation on spin-resolved photoemission at Hiroshima Synchrotron Radiation Center are reported. The fine details of electron dynamics of a typical multiband superconductor Sr2RuO4 were uncovered by high-resolution angle-resolved photoemission spectroscopy (ARPES) with tunable polarizations, and the surface of W(1 1 0) was found to have a Dirac-corn-like state of d character with nearly massless energy dispersion by high-resolution ARPES and spin-resolved ARPES (SARPES). The SARPES system with very low energy electron diffraction spin detector and modified VG-SCIENTA R4000 electron analyzer brought a breakthrough in spin detection efficiency as well as energy and angular resolution, and enables precise SARPES measurements for materials that require high energy and angular resolution.

  7. Orbital-differentiated coherence-incoherence crossover identified by photoemission spectroscopy in LiFeAs

    NASA Astrophysics Data System (ADS)

    Miao, H.; Yin, Z. P.; Wu, S. F.; Li, J. M.; Ma, J.; Lv, B.-Q.; Wang, X. P.; Qian, T.; Richard, P.; Xing, L.-Y.; Wang, X.-C.; Jin, C. Q.; Haule, K.; Kotliar, G.; Ding, H.

    2016-11-01

    In iron-based superconductors (FeSCs), orbital differentiation is an important phenomenon, whereby correlations stronger on the dx y orbital than on the dx z/dy z orbital yield quasiparticles with a dx y orbital character having larger mass renormalization and an abnormal temperature evolution. However, the physical origin of this orbital differentiation is debated between the Hund's coupling-induced unbinding of spin and orbital degrees of freedom and the Hubbard interaction instigated orbital-selective Mott transition. Here we use angle-resolved photoemission spectroscopy to identify an orbital-dependent correlation-induced quasiparticle (QP) anomaly in LiFeAs. The excellent agreement between our photoemission measurements and first-principles many-body theory calculations shows that the orbital-differentiated QP lifetime anomalies in LiFeAs are controlled by the Hund's coupling.

  8. Orbital-differentiated coherence-incoherence crossover identified by photoemission spectroscopy in LiFeAs

    SciTech Connect

    Miao, H.; Yin, Z. P.; Wu, S. F.; Li, J. M.; Ma, J.; Lv, B. -Q.; Wang, X. P.; Qian, T.; Richard, P.; Xing, L. -Y.; Wang, X. -C.; Jin, C. Q.; Haule, K.; Kotliar, G.; Ding, H.

    2016-11-14

    In the iron-based superconductors (FeSCs), orbital differentiation is an important phenomenon, whereby correlations stronger on the dxy orbital than on the dxz/dyz orbital yield quasi-particles with dxy orbital character having larger mass renormalization and abnormal temperature evolution. However, the physical origin of this orbital di erentiation is debated between the Hund's coupling induced unbinding of spin and orbital degrees of freedom and the Hubbard interaction instigated orbital selective Mott transition. Here we use angle-resolved photoemission spectroscopy to identify an orbital-dependent correlation-induced quasi-particle (QP) anomaly in LiFeAs. Lastly, the excellent agreement between our photoemission measurements and first-principles many-body theory calculations shows that the orbital-differentiated QP lifetime anomalies in LiFeAs are controlled by the Hund's coupling.

  9. Orbital-differentiated coherence-incoherence crossover identified by photoemission spectroscopy in LiFeAs

    DOE PAGES

    Miao, H.; Yin, Z. P.; Wu, S. F.; ...

    2016-11-14

    In the iron-based superconductors (FeSCs), orbital differentiation is an important phenomenon, whereby correlations stronger on the dxy orbital than on the dxz/dyz orbital yield quasi-particles with dxy orbital character having larger mass renormalization and abnormal temperature evolution. However, the physical origin of this orbital di erentiation is debated between the Hund's coupling induced unbinding of spin and orbital degrees of freedom and the Hubbard interaction instigated orbital selective Mott transition. Here we use angle-resolved photoemission spectroscopy to identify an orbital-dependent correlation-induced quasi-particle (QP) anomaly in LiFeAs. Lastly, the excellent agreement between our photoemission measurements and first-principles many-body theory calculations showsmore » that the orbital-differentiated QP lifetime anomalies in LiFeAs are controlled by the Hund's coupling.« less

  10. One-step model of photoemission from single-crystal surfaces

    NASA Astrophysics Data System (ADS)

    Karkare, Siddharth; Wan, Weishi; Feng, Jun; Chiang, Tai C.; Padmore, Howard A.

    2017-02-01

    In this paper, we present a three-dimensional one-step photoemission model that can be used to calculate the quantum efficiency and momentum distributions of electrons photoemitted from ordered single-crystal surfaces close to the photoemission threshold. Using Ag(111) as an example, we show that the model can not only calculate the quantum efficiency from the surface state accurately without using any ad hoc parameters, but also provides a theoretical quantitative explanation of the vectorial photoelectric effect. This model in conjunction with other band structure and wave function calculation techniques can be effectively used to screen single-crystal photoemitters for use as electron sources for particle accelerator and ultrafast electron diffraction applications.

  11. Interference of spin states in resonant photoemission induced by circularly polarized light from magnetized Gd

    SciTech Connect

    Mueller, N.; Khalil, T.; Pohl, M.; Uphues, T.; Heinzmann, U.; Polcik, M.; Rader, O.; Heigl, F.; Starke, K.; Fritzsche, S.; Kabachnik, N. M.

    2006-10-15

    We have observed the spin-state interference by measuring the photoelectron spin polarization in the resonant preedge 4d{yields}4f photoemission from magnetized Gd. The photoemission is induced by circularly polarized light which determines one preferential direction of electron spin orientation due to polarization transfer and spin-orbit interaction. Another direction perpendicular to the first one is determined by the target electron spin orientation connected with the target magnetization. We have measured the component of spin polarization perpendicular to those two directions which can only appear due to spin-state interference which implies coherence of the spin states produced by the two mechanisms of the photoelectron spin polarization.

  12. One-step model of photoemission from single-crystal surfaces

    DOE PAGES

    Karkare, Siddharth; Wan, Weishi; Feng, Jun; ...

    2017-02-28

    In our paper, we present a three-dimensional one-step photoemission model that can be used to calculate the quantum efficiency and momentum distributions of electrons photoemitted from ordered single-crystal surfaces close to the photoemission threshold. Using Ag(111) as an example, we also show that the model can not only calculate the quantum efficiency from the surface state accurately without using any ad hoc parameters, but also provides a theoretical quantitative explanation of the vectorial photoelectric effect. This model in conjunction with other band structure and wave function calculation techniques can be effectively used to screen single-crystal photoemitters for use as electronmore » sources for particle accelerator and ultrafast electron diffraction applications.« less

  13. Plasmonic silicon Schottky photodetectors: The physics behind graphene enhanced internal photoemission

    NASA Astrophysics Data System (ADS)

    Levy, Uriel; Grajower, Meir; Gonçalves, P. A. D.; Mortensen, N. Asger; Khurgin, Jacob B.

    2017-02-01

    Recent experiments have shown that the plasmonic assisted internal photoemission from a metal to silicon can be significantly enhanced by introducing a monolayer of graphene between the two media. This is despite the limited absorption in a monolayer of undoped graphene ( ˜ π α = 2.3 % ). Here we propose a physical model where surface plasmon polaritons enhance the absorption in a single-layer graphene by enhancing the field along the interface. The relatively long relaxation time in graphene allows for multiple attempts for the carrier to overcome the Schottky barrier and penetrate into the semiconductor. Interface disorder is crucial to overcome the momentum mismatch in the internal photoemission process. Our results show that quantum efficiencies in the range of few tens of percent are obtainable under reasonable experimental assumptions. This insight may pave the way for the implementation of compact, high efficiency silicon based detectors for the telecom range and beyond.

  14. Core and valence level photoemission and photoabsorption study of icosahedral Al Pd Mn quasicrystals

    NASA Astrophysics Data System (ADS)

    Horn, K.; Theis, W.; Paggel, J. J.; Barman, S. R.; Rotenberg, E.; Ebert, Ph; Urban, K.

    2006-01-01

    The electronic structure of quasicrystalline Al-Pd-Mn is investigated by means of valence and core level photoelectron spectroscopy. Variations of the photoionization cross section in the constituents' valence electronic levels as a function of photon energy are used to identify contributions from the different atomic species, in particular near the Pd 4d Cooper minimum. Resonant photoemission at the Mn 2p absorption edge shows the contribution of the Mn 3d states to the density of states in a region near the Fermi level. The asymmetry of Pd 3d and Mn 2p core level photoemission lines, and its difference for emission from metallic and quasicrystalline phases, are utilized to infer the contributions of the different constituents to the density of states at the Fermi level.

  15. Three-dimensional characterization of extreme ultraviolet mask blank defects by interference contrast photoemission electron microscopy.

    PubMed

    Lin, Jingquan; Weber, Nils; Escher, Matthias; Maul, Jochen; Han, Hak-Seung; Merkel, Michael; Wurm, Stefan; Schönhense, Gerd; Kleineberg, Ulf

    2008-09-29

    A photoemission electron microscope based on a new contrast mechanism "interference contrast" is applied to characterize extreme ultraviolet lithography mask blank defects. Inspection results show that positioning of interference destructive condition (node of standing wave field) on surface of multilayer in the local region of a phase defect is necessary to obtain best visibility of the defect on mask blank. A comparative experiment reveals superiority of the interference contrast photoemission electron microscope (Extreme UV illumination) over a topographic contrast one (UV illumination with Hg discharge lamp) in detecting extreme ultraviolet mask blank phase defects. A depth-resolved detection of a mask blank defect, either by measuring anti-node peak shift in the EUV-PEEM image under varying inspection wavelength condition or by counting interference fringes with a fixed illumination wavelength, is discussed.

  16. Quantum-electrodynamic treatment of photoemission by a single-electron wave packet

    NASA Astrophysics Data System (ADS)

    Corson, John P.; Peatross, Justin

    2011-11-01

    A quantum-field-theory description of photoemission by a laser-driven single-electron wave packet is presented. We show that, when the incident light is represented with multimode coherent states then, to all orders of perturbation theory, the relative phases of the electron's constituent momenta have no influence on the amount of scattered light. These results are extended using the Furry picture, where the (unidirectional) arbitrary incident light pulse is treated nonperturbatively with Volkov functions. This analysis increases the scope of our prior results in [Phys. Rev. APLRAAN1050-294710.1103/PhysRevA.84.053831 84, 053831 (2011)], which demonstrate that the spatial size of the electron wave packet does not influence photoemission.

  17. Photoemission studies of classic and novel thermoelectric materials

    NASA Astrophysics Data System (ADS)

    Greanya, Viktoria Augusta

    Thermoelectric materials have been studied vigorously since the 1950s. Recent advances in materials synthesis and theory have rejuvinated the field in the last decade. The thermoelectric properties of materials are related to their electronic structure. In addition, many of these materials behave quasi-low-dimensionally, making them ideal candidates for study using angle resolved and angle integrated photoelectron spectroscopy (ARPES and AIPES). We report the first detailed study of the valence band electronic structure of Bi2Te3, Bi2Se3 and CsBi 4Te6 using ARPES and AIPES. Experimental results are compared with local density approximation (LDA) band structure calculations and (when available) with de Haas-van Alphen and Shubnikov-de Haas experiments. Bi2Te3 is currently the best room temperature thermoelectric material known. Dispersions of the valence bands were determined using ARPES. A six-fold k-space degeneracy in the valence band maximum is found. The quasi-two-dimensional nature of the electronic structure was demonstrated by the weakly dispersive bands along the Gamma-Z direction. The density of states (DOS) for this material was also studied using AIPES. Spectra were taken at multiple photon energies. Six valence band peaks were found. Good correspondence with the calculated DOS was found. Bi2Se3 is isostructural to Bi2Te 3 but its thermoelectric performance is significantly worse. The valence band dispersions for this material have been determined, as well as the DOS. We find the valence band maximum to be located at Gamma. Ten easily identifiable bands are seen within 4 eV of the Fermi level. The energy bands in the Gamma-Z direction are found to be flatter than those predicted by theory. The APES measurements revealed a total of nine bands, which correspond well to the calculated DOS. CsBi4Te6 is a novel thermoelectric material, recently discovered in the chemistry department of Michigan State University. This material exhibits quasi

  18. Reduction of copper oxides by UV radiation and atomic hydrogen studied by XPS

    NASA Astrophysics Data System (ADS)

    Fleisch, T. H.; Mains, G. J.

    The reduction of polycrystalline cupric oxide (CuO) and cuprous oxide (Cu 2O) by UV irradiation and by atomic hydrogen was investigated with X-ray photoelectron spectroscopy (XPS or ESCA). UV photons from a low pressure mercury lamp(λ=2537A, hv=4.8cV) slowly reduce both CuO and Cu 2O at room temperature. After approximately 10 h of irradiation the sample surfaces appear completely reduced to metallic Cu. This indicates that after that time the top 30 A of the sample pellets, the approximate sampling depth of XPS, have been reduced. Further irradiation causes the reduction to progress through the pellet interior and bulk phase. The sample color changes from dark to metallic copper. Photochemically generated hydrogen atoms reduce copper oxides at ambient temperatures. The reduction rate is about 10 times faster than the one caused by UV light alone. The reduction of Cu 2O is in both cases slightly slower than the one of CuO. The degree of reduction has been calculated from XPS data in different ways involving the atomic ratio of O/Cu, the relative intensity of the shake-up structure of CuO, and changes in the structure of the Cu L 3M 45M 45 Auger line. Freshly reduced Cu surfaces are sensitive to air exposure. They oxidize easily to Cu 2O.

  19. Organic adlayer on inorganic materials: XPS analysis selectivity to cope with adventitious contamination

    NASA Astrophysics Data System (ADS)

    Landoulsi, Jessem; Genet, Michel J.; Fleith, Sandrine; Touré, Yetioman; Liascukiene, Irma; Méthivier, Christophe; Rouxhet, Paul G.

    2016-10-01

    This work addresses the ubiquitous presence of organic contaminants at inorganic solid surfaces and the improvement of XPS analysis selectivity to cope with it. Water contact angle measurements showed that the adsorption of organic contaminants occurs readily in ambient air, and faster and more extensively under high vacuum. It is stronger on stainless steel (SS) compared to silica and is significantly reduced when SS is sterilized by autoclaving. The reliability of XPS data was evaluated (selectivity, precision, accuracy) by correlations between spectral data incorporating a large amount of results obtained with different XPS spectrometers on SS and glass samples cleaned in different ways and conditioned with several biomacromolecules. The methodology used allows a discrimination to be made between contaminants and deliberately adsorbed biomacromolecules, and offers perspectives for tracking the source of contamination. Furthermore, a discrimination can be made between oxygen from the organic adlayer and oxygen from the substrate, and the O 1s component above 532.0 eV observed for SS is shown to be due to organic contaminants rather than adsorbed water. This approach offers new perspectives to examine the interactions (displacement or not) between contaminants and compounds of interest, e.g. proteins, at the stage of the adsorption process.

  20. XPS investigation of titanium contact formation to ZnO nanowires.

    PubMed

    Barnett, Chris J; Castaing, Ambroise; Jones, Daniel R; Lewis, Aled R; Jenkins, Lewys J; Cobley, Richard J; Maffeis, Thierry G G

    2017-02-24

    Ti is often used to form an initial Ohmic interface between ZnO and Au due to its low work function, and the TiO2/ZnO heterojunction is also of great importance for many practical applications of nanoparticles. Here, Ti has been controllably deposited onto hydrothermally grown ZnO nanowires and the formation of metal-semiconductor contact has been investigated using x-ray photoelectron spectroscopy (XPS), photoluminescence (PL) spectroscopy and scanning electron microscopy. XPS results showed that that the Ti initially reacts with surface oxygen species to form TiO2, and further deposition results in the formation of oxides with oxidation state numbers lower than four, and eventually metallic Ti on top of the TiO2. The formation of TiC was also observed. XPS showed that the onset of metallic Ti coincided with a Zn 3p core level shift to lower binding energy, indicating upwards band bending and the formation of a rectifying contact. Annealing caused a near-complete conversion of the metallic Ti to TiO2 and caused the Zn 3p to shift back to its original higher binding energy, resulting in downwards band bending and a more Ohmic contact. PL measurements showed that the optical properties of the nanowires are not affected by the contact formation.