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Sample records for photoemission spectra xps

  1. 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}

  2. The interpretation of XPS spectra: Insights into materials properties

    NASA Astrophysics Data System (ADS)

    Bagus, Paul S.; Ilton, Eugene S.; Nelin, Connie 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. BE: binding energy. The binding energy of an electron associated with a peak in a photoelectron spectra. CI: configuration interaction. The common use is to describe many-body wavefunctions that are the mixing of several determinants for different configurations. CSF: configuration state function. A determinant or combination of determinants that is an eigenfunction of the angular momentum operators. Normally CSFs are formed for Russell-Saunders, L-S coupling but they can also be formed for j-j coupling. CT: charge transfer. Usually refers to the transfer of an electron from a ligand orbital into an unoccupied or partially occupied, metal orbital. CSOV: constrained space orbital variation. A theoretical procedure for decomposing the contributions to various properties by constraining the space of orbitals varied and the space of basis functions in which they are varied. ΔSCF: delta self-consistent field. Normally refers to the difference in the properties of two states, an initial and a final state, each determined from separate self-consistent field variations. DFT: density functional theory. DHF: Dirac-Hartree-Fock. ER: relaxation energy. Erel: relative energy. Normally of the BE of a peak relative to some reference BE taken as zero. FC: Franck-Condon. Normally used in connection with the vibrational broadening of peaks in photoemission spectra. FO: frozen orbital. Used to describe wavefunctions and other properties obtained when the orbitals of the

  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. Comparison of Gas and Adsorbed Phase X-ray Photoemission Spectra of Oxidized Organics on Ice

    NASA Astrophysics Data System (ADS)

    Newberg, J. T.; Bluhm, H.

    2011-12-01

    Most uptake studies of small chain organics on ice surfaces at near ambient conditions have been performed using flow tube and other methods which monitor the disappearance of the gas phase. We will present results using synchrotron based, ambient pressure X-ray photoemission spectroscopy which allows for the probing of the ice surface directly at near ambient conditions. C 1s XPS and C K-edge NEXAFS gas phase and adsorbed phase spectra will be compared for 2-propanol, acetone, and 1-propanal on ice at -45 C. Uptake experiments give rise to first order Langmuirian isotherms. Acetone and 2-propanol show little difference in the photoemission spectra between the gas phase and adsorbed phase, suggesting that adsorption occurs molecularly. However, adsorption of 1-propanal shows evidence of chemical transformation (oxidation) at the interface of ice. Further studies are underway to better understand this adsorption behavior.

  6. Spectral function and photoemission spectra in antiferromagnetically correlated metals

    SciTech Connect

    Kampf, A.P.; Schrieffer, J.R. )

    1990-11-01

    Antiferromagnetic spin fluctuations in a two-dimensional metal, such as doped high-{Tc} superconductors, lead to a pseudogap in the electronic spectrum. In the spectral function weight is shifted from the single quasiparticle peak of the Fermi-liquid regime to the incoherent particle and hole backgrounds, which evolve into the upper and lower Mott-Hubbard bands of the antiferromagnetic insulator. Precursors of these split bands show up as shadow bands'' in angle-resolved photoemission spectra.

  7. Orbital tomography: Deconvoluting photoemission spectra of organic molecules

    NASA Astrophysics Data System (ADS)

    Puschnig, Peter; Reinisch, Eva-Maria; Ules, Thomas; Koller, Georg; Soubatch, Sergey; Ostler, Markus; Romaner, Lorenz; Tautz, F. Stefan; Ambrosch-Draxl, Claudia; Ramsey, Michael G.

    2012-02-01

    We study the interface of an organic monolayer with a metallic surface, i. e., PTCDA (3,4,9,10-perylene-tetracarboxylic-dianhydride) on Ag(110), by means of angle-resolved photoemission spectroscopy (ARPES) and ab initio electronic structure calculations. We present a tomographic method which uses the energy and momentum dependence of ARPES data to deconvolute spectra into individual orbital contributions beyond the limits of energy resolution. This provides an orbital-by-orbital characterization of large adsorbate systems without the need to invoke sophisticated theory of photoemission, allowing us to directly estimate the effects of bonding on individual orbitals. Moreover, this experimental data serves as a most stringent test necessary for the further development of ab initio electronic structure theory.

  8. 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.

  9. Ab initio study of 3s core-level x-ray photoemission spectra in transition metals

    NASA Astrophysics Data System (ADS)

    Takahashi, Manabu; Igarashi, Jun-Ichi

    2010-01-01

    We calculate the 3s - and 4s -core-level x-ray photoemission spectroscopy (XPS) spectra in the ferromagnetic and nonmagnetic transition metals by developing an ab initio method. We obtain the spectra exhibiting the characteristic shapes as a function of binding energy in good agreement with experimental observations. The spectral shapes are strikingly different between the majority spin channel and the minority spin channel for ferromagnetic metals Ni, Co, and Fe, that is, large intensities appear in the higher binding-energy side of the main peak (satellite) in the majority spin channel. Such satellite or shoulder intensities are also obtained for nonmagnetic metals V and Ru. These behaviors are elucidated in terms of the change of the one-electron states induced by the core-hole potential.

  10. 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.

  11. Principal component analysis: a versatile method for processing and investigation of XPS spectra.

    PubMed

    Mc Evoy, Kevin M; Genet, Michel J; Dupont-Gillain, Christine C

    2008-10-01

    Given the relevance of principal component analysis (PCA) to the treatment of spectrometric data, we have evaluated potentialities and limitations of such useful statistical approach for the harvesting of information in large sets of X-ray photoelectron spectroscopy (XPS) spectra. Examples allowed highlighting the contribution of PCA to data treatment by comparing the results of this data analysis with those obtained by the usual XPS quantification methods. PCA was shown to improve the identification of chemical shifts of interest and to reveal correlations between peak components. First attempts to use the method led to poor results, which showed mainly the distance between series of samples analyzed at different moments. To weaken the effect of variations of minor interest, a data normalization strategy was developed and tested. A second issue was encountered with spectra suffering of an even slightly inaccurate binding energy scale correction. Indeed, minor shifts of energy channels lead to the PCA being performed on incorrect variables and consequently to misleading information. In order to improve the energy scale correction and to speed up this step of data pretreatment, a data processing method based on PCA was used. Finally, the overlap of different sources of variation was studied. Since the intensity of a given energy channel consists of electrons from several origins, having suffered inelastic collisions (background) or not (peaks), the PCA approach cannot compare them separately, which may lead to confusion or loss of information. By extracting the peaks from the background and considering them as new variables, the effect of the elemental composition could be taken into account in the case of spectra with very different backgrounds. In conclusion, PCA is a very useful diagnostic tool for the interpretation of XPS spectra, but it requires a careful and appropriate data pretreatment. PMID:18759494

  12. Pu 4f XPS spectra analyzed in the Anderson impurity model

    SciTech Connect

    Cox, L.E.; Peek, J.M.; Allen, J.W.

    1998-05-09

    X-ray photoemission spectra of the {alpha},{beta},{gamma}, and {delta} phases of Pu have been analyzed using the Gunnarsson-Schonhammer implementation of the Anderson impurity model. Changes in the relative intensities of the two spectral features representing mixed f{sup 5} and f{sup 6} final states are in reasonable agreement with the model`s predictions. The coulomb terms, U{sub ff} and U{sub fc}, are quite consistent with those derived from atomic and LDA calculations. Multiplet structure, which agrees with atomic calculations for 4f{sup 13}5f{sup 5}, strongly suggests 5f localization in the final state.

  13. Electronic Structures of Purple Bronze KMo6O17 Studied by X-Ray Photoemission Spectra

    NASA Astrophysics Data System (ADS)

    Qin, Xiaokui; Wei, Junyin; Shi, Jing; Tian, Mingliang; Chen, Hong; Tian, Decheng

    X-ray photoemission spectroscopy study has been performed for the purple bronze KMo6O17. The structures of conduction band and valence band are analogous to the results of ultraviolet photoemission spectra and are also consistent with the model of Travaglini et al., but the gap between conduction and valence band is insignificant. The shape of asymmetric and broadening line of O-1s is due to unresolved contributions from the many inequivalent oxygen sites in this crystal structure. Mo 3d core-level spectrum reveals that there are two kinds of valence states of Molybdenum (Mo+5 and Mo+6). The calculated average valence state is about +5.6, which is consistent with the expectation value from the composition of this material. The tail of Mo-3d spectrum toward higher binding energy is the consequence of the excitation of electron-hole pairs with singularity index of 0.21.

  14. Polarity-dependent photoemission spectra of wurtzite-type zinc oxide

    SciTech Connect

    Williams, Jesse; Yoshikawa, Hideki; Ueda, Shigenori; Yamashita, Yoshiyuki; Kobayashi, Keisuke; Adachi, Yutaka; Ohashi, Naoki; Haneda, Hajime; Ohgaki, Takeshi; Miyazaki, Hiroki; Ishigaki, Takamasa

    2012-01-30

    The polar surfaces of wurtzite-type zinc oxide (ZnO) were characterized by x-ray photoemission spectroscopy to identify the origin of the polarity dependence of the valence band spectra. A characteristic sub-peak always appeared in the valence band spectra of the (0001) face regardless of the surface preparation conditions. It also appeared in the valence band spectra of the (1012) face, but only when the photoelectron take-off angle was parallel to the c-axis of ZnO. Our analysis demonstrates that this take-off angle dependency originates not from the surface state, photoelectron diffraction, or the presence of surfactants but from the crystal polarity.

  15. Primary excitation spectra in XPS and AES of Cu, CuO: Relative importance of surface and core hole effects

    NASA Astrophysics Data System (ADS)

    Pauly, N.; Tougaard, S.

    2015-11-01

    Quantitative interpretation of structures observed in XPS and AES requires models to correct for various physical processes involved. Besides the initial excitation process in XPS and AES, the measured spectrum is affected by three additional effects: the corehole(s), transport to the surface region and passage through the surface and vacuum regions. These three effects can be calculated by the QUEELS-XPS software (Quantitative analysis of Electron Energy Losses at Surfaces) in terms of energy-differential inelastic electron scattering cross sections. From this and the QUASES software (Quantitative Analysis of Surfaces by Electron Spectroscopy), background contributions and primary excitation spectra are obtained for various transitions (Cu 2p from Cu or CuO and Cu L3M23M23) and we investigate the separate effect of bulk, surface, and core hole(s) excitations. We show that the shape of the XPS and AES primary spectra and background contributions are modified slightly by surface effects and very strongly by core hole(s) effects. For metals, the intrinsic excitations give rise to a prominent spike in the background close to the XPS-peak energy. This spike will be much reduced for wide band gap insulators. Moreover our method gives an easy procedure to obtain the true primary excitation spectra for XPS and AES.

  16. 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.

  17. 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. PMID:24689856

  18. 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.

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

    PubMed Central

    2015-01-01

    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. PMID:24689856

  20. Accurate determination of the valence band edge in hard x-ray photoemission spectra using GW theory

    NASA Astrophysics Data System (ADS)

    Lischner, Johannes; Nemšák, Slavomír; Conti, Giuseppina; Gloskovskii, Andrei; Pálsson, Gunnar Karl; Schneider, Claus M.; Drube, Wolfgang; Louie, Steven G.; Fadley, Charles

    2016-04-01

    We introduce a new method for determining accurate values of the valence-band maximum in x-ray photoemission spectra. Specifically, we align the sharpest peak in the valence-band region of the experimental spectrum with the corresponding feature of a theoretical valence-band density of states curve from ab initio GW theory calculations. This method is particularly useful for soft and hard x-ray photoemission studies of materials with a mixture of valence-band characters, where strong matrix element effects can render standard methods for extracting the valence-band maximum unreliable. We apply our method to hydrogen-terminated boron-doped diamond, which is a promising substrate material for novel solar cell devices. By carrying out photoemission experiments with variable light polarizations, we verify the accuracy of our analysis and the general validity of the method.

  1. 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.

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

    PubMed

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

    2016-08-21

    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. PMID:27544119

  3. 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.

  4. Two-photon photoemission spectra related to an ultrafast heterogeneous electron transfer from perylene to TiO2

    NASA Astrophysics Data System (ADS)

    Tsivlin, Dmitry V.; Willig, Frank; May, Volkhard

    2008-01-01

    Two-photon photoemission (2PPE) spectra related to sub- 100-fs heterogeneous electron transfer from perylene to TiO2 are calculated. The approach accounts for the dominant intramolecular vibration of perylene as well as for the band structure of TiO2 described in a tight-binding model. The focus is on the influence of the pump and probe laser pulse duration, with the pump laser originating charge injection and the probe laser causing the photoemission process. The latter may proceed directly from the photoexcited molecule or, after charge injection, from the TiO2 conduction band. The time-dependent Schrödinger equation which describes charge injection and accounts for the pump pulse is solved exactly within a time interval of about 250fs . The action of the probe pulse is considered in linear response theory. While the vibrational structure in the 2PPE spectra broadens with decreasing pump pulse length, it is found that this structure is largely preserved when varying the probe pulse duration. In order to estimate dephasing caused by intramolecular vibrational energy redistribution in perylene and electron phonon coupling in TiO2 , a density matrix scheme is also introduced describing heterogeneous electron transfer and the photoelectron emission processes. A finite escape depth for electrons at the TiO2 surface is finally taken into account to evaluate its influence on the spectra.

  5. Determining the chirality of Weyl fermions from circular dichroism spectra in time-dependent angle-resolved photoemission

    NASA Astrophysics Data System (ADS)

    Yu, Rui; Weng, Hongming; Fang, Zhong; Ding, Hong; Dai, Xi

    2016-05-01

    We show that the intensity of pumped states near Weyl point is different when pumped with left- and right-handed circular-polarized light, which leads to a special circular dichroism (CD) in time-dependent angle-resolved photoemission spectra (ARPES). We derive the expression for the CD of time-dependent ARPES, which is directly related to the chirality of Weyl fermions. Based on the above derivation, we further propose a method to determine the chirality for a given Weyl point from the CD of time-dependent ARPES. The corresponding CD spectra for TaAs has then been calculated from first principles, which can be compared with future experiments.

  6. 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.

  7. 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.

  8. Epitaxial growth of CeO2(111) film on Ru(0001): Scanning tunneling microscopy (STM) and x-ray photoemission spectroscopy (XPS) study

    NASA Astrophysics Data System (ADS)

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

    2014-01-01

    We formed an epitaxial film of CeO2(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 Ce4+/Ce3+ ratio in a small temperature window of the growth temperature between 1070 and 1096 K, which corresponds to the reduction of the CeO2(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 CeO2(111) with wide terrace width and sharp step edges.

  9. 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.

  10. 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.

  11. Factor analysis and advanced inelastic background analysis in XPS: Unraveling time dependent contamination growth on multilayers and thin films

    NASA Astrophysics Data System (ADS)

    Gusenleitner, S.; Hauschild, D.; Graber, T.; Ehm, D.; Tougaard, S.; Reinert, F.

    2013-10-01

    In order to follow and understand time dependent contamination growth on multilayer mirrors for extreme ultraviolet (EUV) lithography applications, particular heterosystems were investigated with X-ray Photoemission Spectroscopy (XPS). Diverse capping layers can be used to terminate EUV multilayer mirrors to protect the underlying multilayer stack, e.g. Ru metal. In XPS problems were encountered when analyzing spectra as the core-level signals of Ru and C overlap. Further, Ru was not only present as pure metal, but also in its oxidized state. Disentangling the overlapping XPS spectra was achieved by application of factor analysis (FA) yielding not only the spectra of each component but also the according weights. Thus a model for the time dependent contamination growth was developed. This model was cross checked by advanced inelastic background analysis. Both methods displayed a way to unravel overlapping data sets and for deducing multilayer composition models.

  12. Anomalous temperature dependence in valence band spectra: A resonant photoemission study of layered perovskite Sr{sub 2}CoO{sub 4}

    SciTech Connect

    Pandey, Pankaj K.; Choudhary, R. J. Phase, D. M.

    2014-05-05

    Valence band spectra (VBS) and its modification across Curie temperature (T{sub C}) of Sr{sub 2}CoO{sub 4} thin film are studied using resonant photoemission spectroscopy. It is found that VBS mainly consists of hybridized states of Co-3d t{sub 2g}e{sub g} and O-2p; however, Co-3d e{sub g} states show its prominence only in the ferromagnetic temperature regime. Below T{sub C}, spectral weight transfer takes place anomalously from high binding energy (B.E.) region to low B.E. region, signifying the enhanced intermediate or low spin state Co{sup 4+} ions. It is suggested that spin-lattice coupling and many-body effects in Sr{sub 2}CoO{sub 4} derived from the strong electron correlations lead to such temperature dependence of VBS.

  13. 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.

  14. Weight of zero-loss electrons and sum rules in extrinsic processes that can influence photoemission spectra

    NASA Astrophysics Data System (ADS)

    Schulte, K.; James, M. A.; Steeneken, P. G.; Sawatzky, G. A.; Suryanarayanan, R.; Dhalenne, G.; Revcolevschi, A.

    2001-04-01

    It was argued in a recent paper by Joynt [Science 284, 777 (1999)] that in the case of poorly conducting solids a photoemission spectrum close to the Fermi energy may be strongly influenced by extrinsic loss processes similar to those occurring in high-resolution electron-energy-loss spectroscopy, thereby obscuring information concerning the density of states or one-electron Green's function sought for. In this paper we present a number of arguments, both theoretical and experimental, that demonstrate that energy-loss processes occurring once the electron is outside the solid, contribute only weakly to the spectrum, and can in most cases be either neglected or treated as a weak structureless background.

  15. Hidden relationship between the electrical conductivity and the Mn 2p core-level photoemission spectra in La{sub 1-x}Sr{sub x}MnO{sub 3}

    SciTech Connect

    Hishida, T.; Ohbayashi, K.; Saitoh, T.

    2013-01-28

    Core-level electronic structure of La{sub 1-x}Sr{sub x}MnO{sub 3} has been studied by x-ray photoemission spectroscopy (XPS). We first report, by the conventional XPS, the well-screened shoulder structure in Mn 2p{sub 3/2} peak, which had been observed only by hard x-ray photoemission spectroscopy so far. Multiple-peak analysis revealed that the Mn{sup 4+} spectral weight was not proportional to the nominal hole concentration x, indicating that a simple Mn{sup 3+}/Mn{sup 4+} intensity ratio analysis may result in a wrong quantitative elemental analysis. Considerable weight of the shoulder at x = 0.0 and the fact that the shoulder weight was even slightly going down from x = 0.2 to 0.4 were not compatible with the idea that this weight simply represents the metallic behavior. Further analysis found that the whole Mn 2p{sub 3/2} peak can be decomposed into four portions, the Mn{sup 4+}, the (nominal) Mn{sup 3+}, the shoulder, and the other spectral weight located almost at the Mn{sup 3+} location. We concluded that this weight represents the well-screened final state at Mn{sup 4+} sites, whereas the shoulder is known as that of the Mn{sup 3+} states. We found that the sum of these two spectral weight has an empirical relationship to the conductivity evolution with x.

  16. 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.

  17. 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.

  18. Investigation of Sputtering Damage in SrRuO3 Films Prepared by Sputtering with Raman and X-ray Photoemission Spectroscopies

    NASA Astrophysics Data System (ADS)

    Tai, Takeshi; Nishide, Masamichi; Matsuoka, Masashi; Kamo, Takafumi; Funakubo, Hiroshi; Katoda, Takashi; Shima, Hiromi; Nishida, Ken; Yamamoto, Takashi

    2012-09-01

    Sputtering damage of SrRuO3 (SRO) films prepared by RF magnetron sputtering under various growth pressures was investigated by Raman spectroscopy and X-ray photoemission spectroscopy (XPS). Phonon modes that were related to Ru and Sr ions changed and XPS spectra shifted with decreasing growth pressure. These results indicate that Sr ions switched place with Ru ions in SRO films when the SRO films had sputtering damage under low-growth-pressure sputtering condition as determined from Raman spectroscopy and XPS measurement. The antisite ion content increased with decreasing growth pressure. The resistivity of the SRO films also increased with increasing antisite ion content. The dynamics of sputtering damage revealed that the antisite Sr and Ru ions were formed in SRO films.

  19. Evolution from antiferromagnetic to paramagnetic Kondo insulator with increasing hybridization; XPS studies

    NASA Astrophysics Data System (ADS)

    Ślebarski, A.; Goraus, J.

    2012-12-01

    We present the Ce 3d x-ray photoemission (XPS) spectra for CeM2Al10 (M=Ru, Os, Fe) from which we determined the on-site hybridization between the f and conduction electron states, Δcf, and the 4f-level occupancy, nf. Those parameters have been obtained using the Gunnarsson-Schönhammer approach. We found Δcf stronger for the Kondo insulator CeFe2Al10 than for the remaining compounds with Ru and Os. We discuss the type of behaviour of CeM2Al10 on the base of the earlier theoretical phase diagram obtained within the Anderson-lattice model.

  20. XPS and ARPES study of the metal-insulator transition in Mn-substituted Sr3Ru2O7

    NASA Astrophysics Data System (ADS)

    Zhu, Zhihuai; Levy de Castro, G.; Hossain, M. A.; Manju, U.; McCheyney, J. L.; Bostwick, A.; Rotenberg, E.; Yoshida, Y.; Elfimov, I. S.; Panaccione, G.; Damascelli, A.

    2010-03-01

    We have studied the metal-insulator transition in Mn-substituted Sr3Ru2O7 by core-level x-ray photoemission (XPS) and angle-resolved photoemission spectroscopy (ARPES). In XPS, both the surface- and bulk-sensitive spectra show a two-peak structure, corresponding to the well screened and the unscreened excitations. The intensity of the well-screened peak is suppressed upon increasing the concentration of Mn, reflecting a metal-to-insulator transition induced by Mn impurities. In ARPES, changes in Fermi surface topology and band dispersions are observed as the system crosses over from a metal to a - possibly Mott - insulator. We observed a variation and enhancement of the Fermi-surface nesting upon Mn substitution, which might be connected to the emergence of the magnetic superstructure revealed by our resonant elastic soft x-ray scattering results [1].[4pt] [1] M.A. Hossain et al., arXiv:0906.0035 (2009).

  1. XPS study of interface formation of CVD SiO2 on InSb

    NASA Astrophysics Data System (ADS)

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

    1981-10-01

    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.

  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. High-energy anomaly in the angle-resolved photoemission spectra of Nd(2-x)Ce(x)CuO₄: evidence for a matrix element effect.

    PubMed

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

    2014-09-26

    We use polarization-dependent angle-resolved photoemission spectroscopy (ARPES) to study the high-energy anomaly (HEA) in the dispersion of Nd(2-x)Ce(x)CuO₄, 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. PMID:25302914

  4. THEORY FOR THE XPS OF ACTINIDES

    SciTech Connect

    Bagus, Paul S.; Ilton, Eugene S.

    2013-08-01

    Two aspects of the electronic structure of actinide oxides that significantly affect the XPS spectra are described; these aspects are also important for the materials properties of the oxides. The two aspects considered are: (1) The spin-orbit coupling of the open 5f shell electrons in actinide cations and how this coupling affects the electronic structure. And, (2) the covalent character of the metal oxygen interaction in actinide compounds. Because of this covalent character, there are strong departures from the nominal oxidation states that are significantly larger in core-hole states than in the ground state. The consequences for the XPS of this covalent character are examined. A proper understanding of the way in which they influence the XPS makes it possible to use the XPS to correctly characterize the electronic structure of the oxides.

  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. Dimensionality and doping effect on the Core-level X-ray photoemission satellites in layered ruthenates.

    NASA Astrophysics Data System (ADS)

    Guo, Haizhong; Li, Yi; Hu, Biao; Jin, Rongying; Plummer, E. W.; Zhang, Jiandi; Urbina, D.; Liu, Tijiang; Fobes, David; Mao, Zhiqiang

    2009-03-01

    Core-level photoelectron spectra of the layered perovskite crystal Srn+1RunO3n+1 (n = 1, 2, and 3) and Mn-doped Sr3Ru2O7 are investigated by x-ray photoemission spectroscopy (XPS) techniques. The Sr 3d and Ru 3d core-level spectra exhibit a two-peak structure, screened and unscreened peaks, indicating strong correlation effects among Ru 4d electrons. However, there are little changes of the core-level satellite features with n, suggesting the electron-electron correlation is mainly confined in the RuO2 plane. On the other hand, doping of Mn will drastically affect the core-level spectral weight, reflecting the doping-induced metal-to-insulator transition in the doped system. The position of Ru-core levels remain the same, thus, indicating no doping-induced change of Ru valence.

  10. 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.

  11. 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.

  12. 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.

  13. 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.

  14. Photoemission and Inverse Photoemission Studies of CERIUM-TIN(3) and LANTHANUM-TIN(3)

    NASA Astrophysics Data System (ADS)

    Hong, Sayong

    1990-01-01

    Angle-resolved photoemission spectra (ARPES) and angle-resolved inverse photoemission spectra from single crystals of CeSn_3 (111) and LaSn _3 (111) were measured and discussed. The results were compared with the calculated band structures and fitted by the Gunnarsson-Schonhammer (G-S) model. The two-peak structure from the resonance photoemission of CeSn_3 was fitted by G-S model well by placing the single f-level at 2.0 eV below the Fermi energy before hybridization. ARPES from both CeSn _3 and LaSn_3 showed a peak near the Fermi energy without noticeable dispersion. In LaSn_3, the experimental E (vec k) points below 1.5 eV binding energy from the band mapping agreed well with the calculated band structure. In inverse photoemission, the spectra of both CeSn_3 and LaSn_3 were totally different from the BIS spectra and gave poor agreement with the band calculations. The results suggested that there were atomic-like 4f states near the Fermi energy. The surface stoichiometry for CeSn_3 was measured by AES and the structure was investigated by LEED. The stoichiometry of the CeSn_3 (111) surface was close to that of the bulk, and 3-fold-symmetric LEED patterns from both CeSn_3 and LaSn_3 were observed.

  15. PLS photoemission electron microscopy beamline

    NASA Astrophysics Data System (ADS)

    Kang, Tai-Hee; Kim, Ki-jeong; Hwang, C. C.; Rah, S.; Park, C. Y.; Kim, Bongsoo

    2001-07-01

    The performance of a recently commissioned beamline at the Pohang Light Source (PLS) is described. The beamline, which is located at 4B1 at PLS, is a Varied Line Spacing (VLS) Plane Grating Monochromator (PGM) beamline. VLS PGM has become very popular because of the simple scanning mechanism and the fixed exit slit. The beamline which takes 3 mrad horizontal beam fan from bending magnet, covers the energy range 200-1000 eV for Photoemission Electron Microscopy (PEEM), X-ray Photoelectron Spectroscopy (XPS) and Magnetic Circular Dichroism (MCD) experiments. Simplicity of the optics and high flux with medium resolution were the design goals for these applications. The beamline consists of a horizontal focusing mirror, a vertical focusing mirror, VLS plane grating and exit slit. The source of PLS could be used as a virtual entrance slit because of its small size and stability. The flux and the resolution of the beamline at the experimental station have been measured using an ion chamber and a calibrated photodiode. Test images of PEEM from a standard sample were taken to illustrate the further performance of the beamline and PEEM station.

  16. X-ray Photoemission Spectroscopy Studies of Cesium Antimonide Photocathodes for Photoinjector Applications

    NASA Astrophysics Data System (ADS)

    Martini, Irene; Chevallay, Eric; Fedosseev, Valentin; Hessler, Christoph; Neupert, Holger; Nistor, Valentin; Taborelli, Mauro

    Within the CLIC (Compact Linear Collider) project, feasibility studies of a photoinjector option for the drive beam as an alternative to its baseline design using a thermionic electron gun (Geschonke et al. [1]) are on-going. This R&D program covers both the laser and the photocathode side. Cesium antimonide cathodes were produced at CERN by co-deposition onto copper substrates and characterized by photoemission and by XPS (X-ray Photoemission Spectroscopy) analysis. A systematic study on newly produced and used photocathodes was conducted in order to correlate the surface composition to the photoemissive properties.

  17. 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.

  18. 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.

  19. Quantitative analysis of Ni 2p photoemission in NiO and Ni diluted in a SiO2 matrix

    NASA Astrophysics Data System (ADS)

    Pauly, N.; Yubero, F.; García-García, F. J.; Tougaard, S.

    2016-02-01

    In X-ray excited photoelectron emission (XPS), besides the initial excitation process, the shape and intensity of photoelectron peaks are strongly affected by extrinsic excitations due to electron transport out of the surface (including bulk and surface effects) and to intrinsic excitations due to the sudden creation of the static core hole. To make an accurate quantitative interpretation of features observed in XPS, these effects must be included in the theoretical description of the emitted photoelectron spectra. It was previously shown [N. Pauly, S. Tougaard, F. Yubero, Surf. Sci. 620 (2014) 17] that these three effects can be calculated by means of the QUEELS-XPS software (QUantitative analysis of Electron Energy Losses at Surfaces for XPS) in terms of effective energy-differential inelastic electron scattering cross-sections. The only input needed to calculate these cross-sections is the energy loss function of the media which is determined from analysis of Reflection Electron Energy Loss Spectra (REELS). The full XPS spectrum is then modeled by convoluting this energy loss cross-section with the primary excitation spectrum that accounts for all effects which are part of the initial photo-excitation process, i.e. lifetime broadening, spin-orbit coupling, and multiplet splitting. In this paper we apply the previously presented procedure to the study of Ni 2p photoemission in NiO and Ni diluted in a SiO2 matrix (Ni:SiO2), samples being prepared by reactive magnetron sputtering at room temperature. We observe a significant difference between the corresponding Ni 2p primary excitation spectra. The procedure allows quantifying the relative intensity of the c3d9L, c3d10L2, and c3d8 final states contributing to the Ni 2p photoemission spectra of the Ni2 + species in the oxide matrices. Especially, the intensity ratio in NiO between the non-local and local contributions to the 3d9L configuration is determined to be 2.5. Moreover the relative intensity ratio of the c3d

  20. In-Situ observation of wet oxidation kinetics on Si (100) via ambient pressure x-ray photoemission spectroscopy

    SciTech Connect

    Hussain, Zahid; Rossi, Massimiliano; Mun, Bongjin S.; Enta, Yoshiharu; Fadley, Charles S.; Lee, Ki-Suk; Kim, Sang-Koog; Shin, Hyun-Joon; Hussain, Zahid; Ross, Jr., Philip N.

    2007-08-24

    The initial stages of wet thermal oxidation of Si(100)-(2x1) have been investigated by in-situ ambient pressure x-ray photoemission spectroscopy (APXPS), including chemical-state resolution via Si 2p core-level spectra. Real-time growth rates of silicon dioxide have been monitored at 100 mTorr of water vapor. This pressure is considerably higher than in any prior study using XPS. Substrate temperatures have been varied between 250 and 500 C. Above a temperature of {approx} 400 C, two distinct regimes, a rapid and a quasi-saturated one, are identified and growth rates show a strong temperature dependence which cannot be explained by the conventional Deal-Grove model.

  1. 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.

    PubMed

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

    2016-08-26

    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. PMID:27420635

  2. 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.

  3. 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.

  4. 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.

  5. Large Band Gap of alpha-RuCl3 Probed by Photoemission and Inverse Photoemission Spectroscopy

    NASA Astrophysics Data System (ADS)

    Sinn, Soobin; Kim, Choong Hyun; Sandilands, Luke; Lee, Kyungdong; Won, Choongjae; Oh, Ji Seop; Han, Moonsup; Chang, Young Jun; Hur, Namjung; Sato, Hitoshi; Park, Byeong-Gyu; Kim, Changyoung; Kim, Hyeong-Do; Noh, Tae Won

    The Kitaev honeycomb lattice model has attracted great attention because of its possibility to stabilize a quantum spin liquid ground state. Recently, it was proposed that alpha-RuCl3 is its material realization and the first 4 d relativistic Mott insulator from an optical spectrum and LDA + U + SO calculations. Here, we present photoemission and inverse photoemission spectra of alpha-RuCl3. The observed band gap is about 1.8 eV, which suggests that the previously assigned optical gap of 0.3 eV is misinterpreted, and that the strong peak at about 1.2 eV in the optical spectrum may be associated with an actual optical gap. Assuming a strong excitonic effect of 0.6 eV in the optical spectrum, all the structures except for the peak at 0.3 eV are consistent with our electronic spectra. When compared with LDA + U + SO calculations, the value of U should be considerably larger than the previous one, which implies that the spin-orbit coupling is not a necessary ingredient for the insulating mechanism of alpha-RuCl3. We also present angle-resolved photoemission spectra to be compared with LDA + U + SO and LDA +DMFT calculations.

  6. Characterization of YBa 2Cu 3O x using core- and valence-level XPS

    NASA Astrophysics Data System (ADS)

    Brundle, C. R.; Fowler, D. E.

    1993-12-01

    Hundreds of papers have been published involving the photoelectron spectroscopy of the high- Tc superconducting oxides since 1987. The early work, originally on bulk-sintered material, sputtered films, and later on "single crystals", concentrated on finding "unusual" features in valence- or core-level spectra to relate to electronic structure effects which might explain the superconducting mechanism. The majority of this work has not adequately taken into account the facts that (a) photoemission probes only the top few monolayers of material, and (b) in many cases the top few layers are completely unrepresentative of the bulk material. This is particularly true for YBa 2Cu 3O x, where the surface is extremely reactive, unstable, and prone to contaminating phases, even when prepared under UHV conditions. This has led to a flood of misinformation concerning the true characteristic spectra of this material and their interpretation. In this paper, we present core- and valence-level XPS for YBa 2Cu 3O x single-crystal, bulk-sintered, and thin-film samples, and show that, when artifacts are eliminated, the characteristic spectra are the same, to first order, and easily allow distinction of surfaces consisting of the genuine orthorhombic phase ( x > 6.4) from those with the non-superconducting tetragonal phase ( x<6.4) or contaminant or reaction-product phases. With this information, it is possible to eliminate much of the previous literature discussion and also to follow the material changes occuring, for instance, during annealing, adsorption and reaction. We then discuss some detailed interpretations, including the DOS observed at and near EF, the explanations for the ˜1.5 eV chemical shift in Ba core-level BE between orthorhombic and tetragonal forms, and the implications of the very low O(1s) BE of the orthorhombic form.

  7. Attosecond chronoscopy of photoemission

    NASA Astrophysics Data System (ADS)

    Pazourek, Renate; Nagele, Stefan; Burgdörfer, Joachim

    2015-07-01

    Recent advances in the generation of well-characterized subfemtosecond laser pulses have opened up unpredicted opportunities for the real-time observation of ultrafast electronic dynamics in matter. Such attosecond chronoscopy allows a novel look at a wide range of fundamental photophysical and photochemical processes in the time domain, including Auger and autoionization processes, as well as photoemission from atoms, molecules, and surfaces, complementing conventional energy-domain spectroscopy. Attosecond chronoscopy raises fundamental conceptual and theoretical questions as to which novel information becomes accessible and which dynamical processes can be controlled and steered. Several of these questions, currently a matter of lively debate, are addressed in this review. The focus is placed on one prototypical case, the chronoscopy of the photoelectric effect by attosecond streaking. Is photoionization instantaneous or is there a finite response time of the electronic wave function to the photoabsorption event? Answers to this question turn out to be far more complex and multifaceted than initially thought. They touch upon fundamental issues of time and time delay as observables in quantum theory. Recent progress of our understanding of time-resolved photoemission from atoms, molecules, and solids is reviewed. Unresolved and open questions are highlighted and future directions are discussed addressing the observation and control of electronic motion in more complex nanoscale structures and in condensed matter.

  8. 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.

  9. 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.

  10. Energy-filtered X-ray photoemission electron microscopy and its applications to surface and organic materials

    NASA Astrophysics Data System (ADS)

    Tsutsumi, Tetsuya; Miyamoto, Takeshi; Niimi, Hironobu; Kitajima, Yoshinori; Sakai, Yuji; Kato, Makoto; Naito, Toshio; Asakura, Kiyotaka

    2007-10-01

    Energy-filtered X-ray photoemission electron microscopy (EXPEEM) is a new surface chemical imaging method that combines X-ray photoelectron spectroscopy (XPS) and photoemission electron microscopy (PEEM). We have developed a collinear type EXPEEM system using a Wien-filter-type electron energy analyzer. The collinear arrangement has the advantage of carrying out an easy alignment of the electron optical axis. We have measured EXPEEM images, μ-X-ray absorption near edge structure (μ-XANES) and μ-XPS of Au on Ta and Ag(DM) 2. We discuss the advantage of EXPEEM and future applications to organic devices.

  11. Electronic band structure and photoemission: A review and projection

    SciTech Connect

    Falicov, L.M.

    1987-09-01

    A brief review of electronic-structure calculations in solids, as a means of interpreting photoemission spectra, is presented. The calculations are, in general, of three types: ordinary one-electron-like band structures, which apply to bulk solids and are the basis of all other calculations; surface modified calculations, which take into account, self-consistently if at all possible, the presence of a vacuum-solid interface and of the electronic modifications caused thereby; and many-body calculations, which go beyond average-field approximations and consider dynamic rearrangement effects caused by electron-electron correlations during the photoemission process. 44 refs.

  12. First-Principles Photoemission Spectroscopy of DNA and RNA Nucleobases from Koopmans-Compliant Functionals.

    PubMed

    Nguyen, Ngoc Linh; Borghi, Giovanni; Ferretti, Andrea; Marzari, Nicola

    2016-08-01

    The need to interpret ultraviolet photoemission data strongly motivates the refinement of first-principles techniques that are able to accurately predict spectral properties. In this work, we employ Koopmans-compliant functionals, constructed to enforce piecewise linearity in approximate density functionals, to calculate the structural and electronic properties of DNA and RNA nucleobases. Our results show that not only ionization potentials and electron affinities are accurately predicted with mean absolute errors of <0.1 eV, but also that calculated photoemission spectra are in excellent agreement with experimental ultraviolet photoemission spectra. In particular, the role and contribution of different tautomers to the photoemission spectra are highlighted and discussed in detail. The structural properties of nucleobases are also investigated, showing an improved description with respect to local and semilocal density-functional theory. Methodologically, our results further consolidate the role of Koopmans-compliant functionals in providing, through orbital-density-dependent potentials, accurate electronic and spectral properties. PMID:27267665

  13. 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

  14. Line shapes and satellites in high-resolution x-ray photoelectron spectra of large pi-conjugated organic molecules.

    PubMed

    Schöll, A; Zou, Y; Jung, M; Schmidt, Th; Fink, R; Umbach, E

    2004-11-22

    We present a high-resolution C1s and O1 s x-ray photoemission (XPS) study for condensed films of pi-conjugated organic molecules, namely, of the anhydrides 3,4,9,10-perylene-tetracarboxylic acid dianhydride, 1,4,5,8-naphthalene-tetracarboxylic acid dianhydride, 1,8-naphthalene dicarboxylic acid anhydride, and benzoperylene-(1,8)-dicarboxylic acid anhydride as well as the quinoic acenaphthenequinone. Although the functional groups are identical for the anhydrides, the molecules show very different photoemission fine structure thus providing a detailed fingerprint. A simultaneous peak fit analysis of the XPS spectra of all molecules allows to consistently determine the ionization potentials of all chemically different carbon and oxygen atoms. Additional structures in the C1s and O1s spectra are interpreted as shakeup satellites and assigned with the help of singles and doubles configuration interaction calculations. These satellites provide further information on multielectron excitations and must be taken into account for quantitative investigations. PMID:15549902

  15. 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).

  16. Photoemission electron microscopy of graphene

    NASA Astrophysics Data System (ADS)

    Saliba, Sebastian; Wardini, Jenna; Fitzgerald, J. P. S.; Word, Robert C.; Kevek, Josh; Minot, Ethan; Koenenkamp, Rolf

    2012-10-01

    A study of chemical vapor deposited graphene on copper foil is conducted using an aberration-corrected photoemission electron microscope (PEEM). We demonstrate the efficacy such a PEEM has in identifying multi-layer graphene, defects and cracking. A model is developed to describe the observed reduction in photoemission rate where electrons originate from the copper foil and scatter through the graphene. A survey of several multi-layer feature line profiles demonstrates the reduced photoemission rate as the number of graphene layers increases. A mean-free-path length of l=3.8±0.8 nm is inferred assuming the layer spacing in graphene is δz=0.35 nm. The PEEM's high spatial resolution and surface sensitivity combined with no electron beam damage are promising for characterizing biosensors and other nanoscale graphene devices.

  17. The Origin of the Monochromatic Photoemission Peak in Diamondoid Monolayers

    SciTech Connect

    Clay, William A.; Liu, Zhi; Yang, Wanli; Fabbri, Jason D.; Dahl, Jeremy E.; Carlson, Robert M.K.; Sun, Steven; Pianetta, Piero A.; Melosh, Nicholas; Shen, Zhi-Xun; /Stanford U., Geballe Lab. /LBNL, ALS /Chevron Petroleum Tech., Richmond /SLAC, SSRL

    2008-10-31

    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 contain the main spectral features of the measured ones.

  18. 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.

  19. Orbital- and spin-order sensitive nonlocal screening in Mn 2p X-ray photoemission of La1‑xSrxMnO3

    NASA Astrophysics Data System (ADS)

    Hariki, A.; Yamanaka, A.; Uozumi, T.

    2016-04-01

    The Mn 2p X-ray photoemission spectra (XPS) of LaMnO3 (LMO) and hole-doped La0.7Sr0.3MnO3 (LSMO) are investigated using a dp model simulating Mn 3d and O 2p electrons under the perovskite-type crystal structure. The observed 2p XPS features, especially the low-binding-energy structure (LBES) of the 2p3/2 main line, are reproduced well using an impurity Anderson model optimized from the dp model within the dynamical mean-field approximation. The LBES in both compounds is due to the nonlocal screening (NLS) between the neighboring Mn ions in the final state, but the screening character is quite different: The NLS in LSMO directly reflects the character of the ferromagnetic metal, while that in undoped LMO the C-type orbital order between 3x^2-r2 and 3y^2-r2 orbitals in the ab-plane. We emphasize the directive nature of the NLS in the orbital order system, which can be a sensitive probe to the order pattern.

  20. Determination of the valence band structure of an alkali phosphorus oxynitride glass: A synchrotron XPS study on LiPON

    NASA Astrophysics Data System (ADS)

    Schwöbel, André; Precht, Ruben; Motzko, Markus; Carrillo Solano, Mercedes A.; Calvet, Wolfram; Hausbrand, René; Jaegermann, Wolfram

    2014-12-01

    Lithium phosphorus oxynitride (LiPON) is a solid state electrolyte commonly used in thin film batteries (TFBs). Advanced TFBs face the issue of detrimental electrode-electrolyte interlayer formation, related to the electronic structure of the interface. In this contribution, we study the valence band structure of LiPON using resonant photoemission and synchrotron photoemission with variable excitation energies. The identification of different valence band features is done according to the known valence band features of meta- and orthophosphates. Additionally we compare our results with partial density of states simulations from literature. We find that the valence band structure is similar to the known metaphosphates with an additional contribution of nitrogen states at the top of the valence band. From the results we conclude that synchrotron X-ray photoemission (XPS) is a useful tool to study the valence band structure of nitridated alkali phosphate glasses.

  1. 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

  2. Characterization of Catechins in Water by Photoemission Yield Spectroscopy in Air.

    PubMed

    Yamashita, Daisuke; Ishizaki, Atsushi

    2016-01-01

    Photoemission yield spectroscopy in air (PYSA) was applied for the characterization of catechins in water in ambient conditions. According to the results of measurements on aqueous solutions of epigallocatechin gallate (EGCg) of various concentrations, the photoemission yield is almost proportional to the concentration of EGCg. Contrarily, the threshold energy of photoemission, EPET, is almost constant at 5.46 ± 0.02 eV. Moreover, we measured aqueous solutions of epicatechin (EC), epigallocatechin (EGC), and epicatechin gallate (ECg). The values of EPET of EC, EGC, ECg were estimated to be 5.72 ± 0.02, 5.68 ± 0.01, and 5.45 ± 0.02 eV, respectively, and a dependence on the molecular structure was found. Furthermore, changes in the photoemission yield spectra of heated EGCg were well explained by molecular orbital calculations on the basis of an assumption of epimerization. PMID:27169659

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

    SciTech Connect

    Menchero, J G

    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.

  4. An XPS study of the KCl surface oxidation in oxygen glow discharge

    NASA Astrophysics Data System (ADS)

    Stoch, J.; Ladecka, M.

    1988-05-01

    The reaction between the surface of KCl and oxygen in a glow discharge has been studied by X-ray photoemission spectroscopy (XPS). Oxygen glow discharge treatment resulted in the formation of a superoxide, which decomposed under vacuum at room temperature to KO 2 and finally to K 2O. No evidence of KClO 3 or KClO 4 formation has been found. Binding energies of some oxygen species in potassium oxides were determined. The possible role of potassium in K-doped silver catalysts of ethylene epoxidation is discussed.

  5. NEXAFS and XPS studies of nitrosyl chloride.

    PubMed

    Schio, Luca; Li, Cui; Monti, Susanna; Salén, Peter; Yatsyna, Vasyl; Feifel, Raimund; Alagia, Michele; Richter, Robert; Falcinelli, Stefano; Stranges, Stefano; Zhaunerchyk, Vitali; Carravetta, Vincenzo

    2015-04-14

    The electronic structure of nitrosyl chloride (ClNO) has been investigated in the gas phase by X-ray Photoelectron (XPS) and Near Edge X-ray Absorption Fine Structure (NEXAFS) spectroscopy at the Cl 2p, Cl 2s, N 1s and O 1s edges in a combined experimental and theoretical study. The theoretical calculations at different levels of approximation predict ionization potential values in good agreement with the experimental data and allow us to assign the main features of the absorption spectra. An unexpected failure of the density functional model is, however, observed in the calculation of the Cl 2s binding energy, which is related to a large self-interaction error. Largely different photoabsorption cross-section patterns are experimentally observed in core excitations from the investigated quantum shells (n = 1, 2). This finding is confirmed by the oscillator strength distributions calculated at different absorption edges; in the case of the n = 2 shell the bands below the threshold are extremely weak and most of the absorption intensity is due to excitations in the continuum. PMID:25754872

  6. 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.

  7. XPS characterization of iron Fischer-Tropsch catalysts

    SciTech Connect

    Kuivila, C.S.; Stair, P.C.; Butt, J.B.

    1986-04-01

    Analysis of Fe(2p) XPS and iron Auger spectra, combined with C(1s) XPS measurements, provides a valuable technique for studying the compositional behavior of Fischer-Tropsch catalysts. The extent of catalyst oxidation during synthesis at high conversions may be estimated in terms of the area contribution of oxide phases to the Fe(2p) spectrum. Similarities between the metal and carbide core level spectra are likely to complicate the determination of these phases when oxides are present. Analysis of the metal and carbide contributions to the iron Auger spectrum provides an alternate method for monitoring surface carbide formation during low conversion synthesis. The ''surface compositions'' obtained in this manner are at best semi-quantitative, since the contribution of a particular phase to the XPS or Auger spectrum will depend on both the amount and distribution of that phase within the detected volume. In spite of this, the spectrum fitting technique should prove to be useful in characterizing the time and conversion dependent nature of the active catalyst surface.

  8. Photocathode device that replenishes photoemissive coating

    DOEpatents

    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.

  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. XPS Study of SiO2 and the Si/SiO2 Interface

    NASA Technical Reports Server (NTRS)

    Grunthaner, F. J.; Grunthaner, P. J.; Vasquez, R. P.; Lewis, B. F.; Maserjian, J.; Madhukar, A.

    1982-01-01

    X-ray photoelectron spectroscopy (XPS) is analytical technique for understanding electronic structure of atoms close to surface in solids, in preference to bulk structure of material. Study found evidence for core-level chemical shifts arising from changes in local structural environment in amorphous SiO2 and at Si/SiO2 interface. Observed XPS spectra may be understood as sequential convolution of several functions, each with well-defined physical interpretation.

  11. Photoabsorption and photoemission of magnesium diboride at the Mg K edge

    NASA Astrophysics Data System (ADS)

    Prince, K. C.; Feyer, V.; Tadich, A.; Thomsen, L.; Cowie, B. C. C.

    2009-10-01

    The Mg K edge photoabsorption spectrum and the B 1s, Mg 1s, Mg 2p and valence band photoemission spectra of polycrystalline magnesium diboride have been measured. The photoabsorption spectra of the diboride and the oxide, which is present as an impurity, were separated by measuring the Auger electron partial yield at electron energies characteristic of each phase. The spectra are consistent with published calculations of the density of unoccupied p symmetry states. Better agreement is obtained with calculations for the ground state of the system than with ones for the excited state. Valence band photoemission spectra were measured at photon energies corresponding to core resonances, but, within the signal to noise level of the spectra, no resonant enhancement was observed. This is consistent with the delocalized nature of the valence band.

  12. Non linear photoemission from silicon

    NASA Astrophysics Data System (ADS)

    Bensoussan, M.; Moison, J. M.

    1983-03-01

    Two well-defined photoemission regimes are observed from clean (111) Si surfaces under various laser irradiation conditions and photon energies. At low fluences and at photon energies above half the work function two and three quantum process are the outstanding emission mechanisms. Density of state effects of initial and intermediate states appear as the dominant spectral features. At higher fluences or at low photon energies the prevailing emission is thermoemission characterized by a Maxwellian distribution revailing a temperature quite different from the lattice one during the excitation pulse.

  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. Attosecond time-resolved streaked photoemission from solids

    NASA Astrophysics Data System (ADS)

    Liao, Qing; Thumm, Uwe

    2015-05-01

    We established a quantum-mechanical model for infrared (IR) laser streaked photoelectron (PE) emission from metal solids by an ultrashort extreme ultraviolet (XUV) pulse. Special emphasis was laid on the influence of the energy dispersion of PEs inside the solids on the photoemission time delay. We first applied this model to Mg(0001) surfaces, assuming free-electron dispersion and found good agreement with measured streaked PE spectra and streaking time delays. Next, we investigate W(110) surfaces for which non-free PE dispersion must be included in order to reproduce the measured photoemission delays at different XUV central photon energies. Our model reproduces a series of measured streaked spectrograms and photoemission delays for different metal solids, including clean Mg(0001) and W(110) surfaces and Mg-covered W(110) surfaces. It incorporates modeling of the target band structure, electron mean free paths, energy dispersion, and screening of the IR laser field on the surface. Supported by the Chemical Sciences, Geosciences, and Biosciences Division, Office of Basic Energy Sciences, Office of Science, U.S. Department of Energy under Grant No. DE-FG02-86ER13491 and NSF Grant PHY-1068752.

  15. Photoemission studies of wurtzite zinc oxide.

    NASA Technical Reports Server (NTRS)

    Powell, R. A.; Spicer, W. E.; Mcmenamin, J. C.

    1972-01-01

    The electronic structure of wurtzite zinc oxide, investigated over the widest possible photon energy range by means of photoemission techniques, is described. Of particular interest among the results of the photoemission study are the location of the Zn 3rd core states, the width of the upper valence bands, and structure in the conduction-band and valence-band density of states.

  16. Characterization of indium tin oxide surfaces and interfaces using low intensity x-ray photoemission spectroscopy

    NASA Astrophysics Data System (ADS)

    Yi, Y.; Lyon, J. E.; Beerbom, M. M.; Schlaf, R.

    2006-11-01

    Ultraviolet photoemission spectroscopic (UPS) and x-ray photoemission spectroscopic (XPS) characterizations of indium tin oxide (ITO) surfaces prepared in ambient environment significantly lower the work function of the ITO surface. This artifact complicates the investigation of ITO surfaces and interfaces using XPS and UPS. The presented results demonstrate that, while the exposure of the sample surface to standard UPS UV sources results in a reduction of the work function within a second or less, XPS measurements show a more gradual work function change over the course of hundreds of seconds. This allowed the design of a measurement protocol based on low intensity x-ray photoelectron spectroscopy work function measurements, which do not cause significant work function changes during the exposure time needed for characterization. Applying this technique, the orbital lineup between the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital of the semiconducting polymer poly(3-hexylthiophene) (P3HT) and the valence and conduction bands of ITO were determined. The results indicate that it is appropriate to describe the ITO/P3HT junction as semiconductor heterojunction, and that hole injection most likely occurs between ITO conduction band minimum and P3HT HOMO.

  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. XANES and XPS studies of the reduction of ammonium paramolybdate

    SciTech Connect

    Halada, G.P.; Clayton, C.R.; Isaacs, H.S.; Davenport, A.J.

    1991-12-31

    in situ glancing-angle x-ray reflectivity experiments were performed on electrochemical reduction products formed in a dilute paramolybdate solution on a platinum electrode. These data were compared with x-ray photoelectron spectra which showed formation of simple molybdate, pentavalent and tetravalent species at increasingly negative potentials. X-ray absorption data demonstrated changes in edge position, pre-edge structure and edge height corresponding to reduction and subsequent growth of the reduction product film at a number of the potentials examined with XPS.

  19. XANES and XPS studies of the reduction of ammonium paramolybdate

    SciTech Connect

    Halada, G.P.; Clayton, C.R. . Dept. of Materials Science and Engineering); Isaacs, H.S.; Davenport, A.J. )

    1991-01-01

    in situ glancing-angle x-ray reflectivity experiments were performed on electrochemical reduction products formed in a dilute paramolybdate solution on a platinum electrode. These data were compared with x-ray photoelectron spectra which showed formation of simple molybdate, pentavalent and tetravalent species at increasingly negative potentials. X-ray absorption data demonstrated changes in edge position, pre-edge structure and edge height corresponding to reduction and subsequent growth of the reduction product film at a number of the potentials examined with XPS.

  20. 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.

  1. 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.

  2. Mapping of Si/SiC p-n heterojunctions using scanning internal photoemission microscopy

    NASA Astrophysics Data System (ADS)

    Shingo, Masato; Liang, Jianbo; Shigekawa, Naoteru; Arai, Manabu; Shiojima, Kenji

    2016-04-01

    We demonstrated the two-dimensional characterization of p+-Si/n--SiC heterointerfaces by scanning internal photoemission microscopy (SIPM). In internal photoemission spectra, a linear relationship was found between the square root of photoyield (Y) and photon energy, and the threshold energy (qV th) was reasonably obtained to be 1.34 eV. From the SIPM results, Y and qV th maps were successfully obtained, and nanometer-deep gaps in the junction were sensitively visualized as a pattern. These results suggest that this method is a powerful tool for investigating the inhomogeneity of heterojunctions as well as their carrier transport properties.

  3. 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.

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

    NASA Astrophysics Data System (ADS)

    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.

    2014-04-01

    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.

  5. 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.

  6. A photoemission study of the diamond and the single crystal C{sub 60}

    SciTech Connect

    Wu, Jin

    1994-03-01

    This report studied the elctronic structure of diamond (100) and diamond/metal interface and C{sub 60}, 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 C{sub 60}, photoemission spectra show sharp molecular features, indicating that the molecular orbitals are relatively undisturbed in solid C{sub 60}.

  7. Layer-resolved photoemission tomography: The p -sexiphenyl bilayer upon Cs doping

    NASA Astrophysics Data System (ADS)

    Reinisch, E. M.; Puschnig, P.; Ules, T.; Ramsey, M. G.; Koller, G.

    2016-04-01

    The buried interface between a molecular thin film and the metal substrate is generally not accessible to the photoemission experiment. With the example of a sexiphenyl (6 P ) bilayer on Cu we show that photoemission tomography can be used to study the electronic level alignment and geometric structure, where it was possible to assign the observed orbital emissions to the individual layers. We further study the Cs doping of this bilayer. Initial Cs exposure leads to a doping of only the first interface layer, leaving the second layer unaffected except for a large energy shift. This result shows that it is in principle possible to chemically modify just the interface, which is important to issues like tuning of the energy level alignment and charge transfer to the interface layer. Upon saturating the film with Cs, photoemission tomography shows a complete doping (6 p4 - ) of the bilayer, with the molecular geometry changing such that the spectra become dominated by σ -orbital emissions.

  8. 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.

  9. 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.

  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. Final-state effects on photoemission line shapes at finite temperature

    SciTech Connect

    S {o}ndergaard, Ch.; Hofmann, Ph.; Schultz, Ch.; Moreno, M. S.; Gayone, J. E.; Vicente Alvarez, M. A.; Zampieri, G.; Lizzit, S.; Baraldi, A.

    2001-06-15

    We have measured angle-resolved photoemission spectra from Al(001) over a large range of temperatures and photon energies. These data were analyzed using a model that allows one to calculate the photoemission intensity for transitions with the simultaneous excitation/absorption of 0, 1, 2, etc., phonons. By making a simple simulation of the line shape, we show that the so-called direct transition (or quasiparticle) peaks always contain a significant contribution from photoemission events with a simultaneous excitation and/or absorption of 1 and 2 phonons, i.e., from transitions that are actually indirect. At low photon energies and/or low temperatures these contributions are small; but as the photon energy or the temperature is raised they increase relative to the elastic or zero-phonon contribution and eventually become the dominant contribution to the so-called direct transition peak. The effect of these phonon-assisted transitions is a significant change of the photoemission line shape. Our model gives a good description of the temperature dependence in the experimental data but only if the phonon-assisted contributions to the photoemission peak are taken into account.

  12. Nondipole Photoemission from Chiral Enantiomers of Camphor

    NASA Astrophysics Data System (ADS)

    Bowen, K. P.; Stolte, W. C.; Young, J. A.; Demchenko, I. N.; Guillemin, R.; Hemmers, O.; Piancastelli, M. N.; Lindle, D. W.

    2010-03-01

    K-shell photoemission from the carbonyl carbon in the chiral molecule camphor has been studied in the region just above the core-shell ionization threshold. Differences between angular distributions of emitted photoelectrons from the two enantiomers are attributed to the influence of chirality combined with nondipole effects in the photoemission process, despite the fact the measurements were taken using linearly polarized x-rays. The results suggest the possibility of a new form of linear dichroism.

  13. 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.

  14. Synchrotron-radiation XPS analysis of ultra-thin silane films: Specifying the organic silicon

    NASA Astrophysics Data System (ADS)

    Dietrich, Paul M.; Glamsch, Stephan; Ehlert, Christopher; Lippitz, Andreas; Kulak, Nora; Unger, Wolfgang E. S.

    2016-02-01

    The analysis of chemical and elemental in-depth variations in ultra-thin organic layers with thicknesses below 5 nm is very challenging. Energy- and angle-resolved XPS (ER/AR-XPS) opens up the possibility for non-destructive chemical ultra-shallow depth profiling of the outermost surface layer of ultra-thin organic films due to its exceptional surface sensitivity. For common organic materials a reliable chemical in-depth analysis with a lower limit of the XPS information depth z95 of about 1 nm can be performed. As a proof-of-principle example with relevance for industrial applications the ER/AR-XPS analysis of different organic monolayers made of amino- or benzamidosilane molecules on silicon oxide surfaces is presented. It is demonstrated how to use the Si 2p core-level region to non-destructively depth-profile the organic (silane monolayer) - inorganic (SiO2/Si) interface and how to quantify Si species, ranging from elemental silicon over native silicon oxide to the silane itself. The main advantage of the applied ER/AR-XPS method is the improved specification of organic from inorganic silicon components in Si 2p core-level spectra with exceptional low uncertainties compared to conventional laboratory XPS.

  15. Photoemission from real iron surfaces and its relationship to light penetration of the overlayer

    NASA Astrophysics Data System (ADS)

    Momose, Yoshihiro; Suzuki, Daisuke; Sakurai, Takao; Nakayama, Keiji

    2015-02-01

    We report the photoemission from real iron surfaces at elevated temperatures, called thermally assisted photoemission (TAPE), and its relationship to the X-ray photoelectron spectroscopy (XPS) results. TAPE measurements were carried out using a Geiger counter under a gaseous atmosphere of He containing 1 % isobutane vapor at normal atmospheric pressure. A sample was initially heated to temperatures ranging from 25 to 353 °C under light irradiation at a certain wavelength of 200, 210, 220, and 230 nm, and then, wavelength was scanned from 300 to 170 nm at the final temperature. The values of a constant related to electron photoemission probability, αA, where A is identical with the Richardson constant, and photothreshold (photoelectric work function), ϕ, were obtained from a plot of the square root of the electron photoemission intensity against the photon energy; the αA values increased with temperature, and the ϕ values also increased with temperature. From the Arrhenius plot, the αA was found to have an activation energy Δ E αA = 0.096 eV. The activation energies of the surface oxygen component ratio Z = O2-/(OH + O2-) and the surface elemental composition ratio X = Fe/(O + N + C + Fe) obtained from the XPS data were also determined from their Arrhenius plots: Δ E Z = 0.113 eV and Δ E X = 0.039 eV, respectively. From a close resemblance between the latter activation energies and those of the Δ E αA and the Δ E a = 0.112-0.040 eV for the quantum yields (Momose et al. in Appl Phys A. doi: 10.1007/s00339-014-8589-7, 2014), it was found that the increase in the intensity of the TAPE with temperature was strongly associated with the increase in the values of Z and X with temperature. It was therefore concluded that the ability of the surface overlayer to pass the incident light became a rate-determining step to start the photoemission, which was decisively controlled by the temperature-dependent surface oxygen components and surface compositions. The

  16. 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.

  17. Surface analysis of zeolites: An XPS, variable kinetic energy XPS, and low energy ion scattering study

    NASA Astrophysics Data System (ADS)

    Bare, Simon R.; Knop-Gericke, Axel; Teschner, Detre; Hävacker, Michael; Blume, Raoul; Rocha, Tulio; Schlögl, Robert; Chan, Ally S. Y.; Blackwell, N.; Charochak, M. E.; ter Veen, Rik; Brongersma, Hidde H.

    2016-06-01

    The surface Si/Al ratio in a series of zeolite Y samples has been obtained using laboratory XPS, synchrotron (variable kinetic energy) XPS, and low energy ion scattering (LEIS) spectroscopy. The non-destructive depth profile obtained using variable kinetic energy XPS is compared to that from the destructive argon ion bombardment depth profile from the lab XPS instrument. All of the data indicate that the near surface region of both the ammonium form and steamed Y zeolites is strongly enriched in aluminum. It is shown that when the inelastic mean free path of the photoelectrons is taken into account the laboratory XPS of aluminosilicates zeolites does not provide a true measurement of the surface stoichiometry, while variable kinetic energy XPS results in a more surface sensitive measurement. A comprehensive Si/Al concentration profile as a function of depth is developed by combining the data from the three surface characterization techniques. The LEIS spectroscopy reveals that the topmost atomic layer is further enriched in Al compared to subsequent layers.

  18. Infrared reflectance and photoemission spectroscopy studies across the phase transition boundary in thin film vanadium dioxide

    SciTech Connect

    Ruzmetov, Dmitry; Zawilski, Kevin; Senanayake, Sanjaya D; Narayanamurti, Venkatesh; Ramanathan, Shriram

    2008-01-01

    Optical properties and valence band density of states near the Fermi level of high-quality VO2 thin films have been investigated by mid-infrared reflectometry and hard-UV (h = 150 eV) photoemission spectroscopy. An exceptionally large change in reflectance from 2 to 94% is found upon the thermally driven metal insulator transition (MIT). The infrared dispersion spectra of the reflectance across the MIT are presented and evidence for the percolative nature of the MIT is pointed out. The discrepancy between the MIT temperatures defined from the electrical and optical properties is found and its origin is discussed. The manifestation of the MIT is observed in the photoemission spectra of the V 3d levels. The analysis of the changes of the V 3d density of states is done and the top valence band shift upon the MIT is measured to be 0.6 eV.

  19. 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)

  20. Linear dichroism and resonant photoemission in Gd 011

    SciTech Connect

    Mishra, S.R.; Cummins, T.R.; Gammon, W.J.; van der Laan, G.; Goodman, K.W.; Tobin, J.G.

    1998-05-13

    Magnetic Linear Dichroism in Angular Distributions (MLDAD) from Photoelectron Emission was used to probe the nature of Resonant Photoemission. Gd 5p and Gd 4f emission were investigated. Using novel theoretical simulations, we were able to show that temporal matching is a requirement for ``True`` Resonant Photoemission, where the Resonant Photoemission retains the characteristics of Photoelectron Emission.

  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 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.

  3. Computational Exploration of the Surface Properties of Cs2Te5 Photoemissive Material

    NASA Astrophysics Data System (ADS)

    Ruth, Anthony; Nemeth, Karoly; Harkay, Katherine; Spentzouris, Linda; Terry, Jeff

    2013-03-01

    Cs2Te is a broadly used photoemissive material due to its exceptionally high quantum efficiency (~ 20%). Our group has recently predicted that the acetylation of this material (Cs2TeC2) would lower its workfunction down to about 2.4 eV from ~ 3 eV, and preserve its high quantum efficiency. Such a modification is advantageous because visible light can be used in the operation of such a photoemissive device instead of ultraviolet light. To explore other variants of Cs2Te, we conducted DFT-based computational analysis of the photoemissive properties of Cs2Te5 which is a known phase of Cs and Te. Cs2Te5 attracted our attention for its rod-like 1D Te substructures embedded in a Cs matrix. This structure is similar to Cs2TeC2 as Cs2TeC2 contains TeC2 polymeric rods in a Cs matrix. In addition to that, exploration of various Cesium Telluride phases is necessary to better understand the working of Cs2Te photocathodes. We have calculated surface energies, workfunctions, and optical absorption spectra of several different surfaces of Cs2Te5. A comparison of the properties of various Cs2Te5 surfaces and their utilization in photoemissive devices will be presented.

  4. 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].

  5. 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.

  6. 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. PMID:16712121

  7. Core-resonant double photoemission from palladium films

    NASA Astrophysics Data System (ADS)

    Kostanovskiy, I.; Schumann, F. O.; Aliaev, Y.; Wei, Z.; Kirschner, J.

    2016-01-01

    We studied the core-resonant double photoemission process from palladium films with linearly polarized synchrotron radiation. We excited either the 3d or 4p core level and focused on the Auger transitions which leave two holes in the valence band. We find that the two-dimensional energy distributions are markedly different for the 3d and 4p decay. The 3d decay can be understood by a sequential emission of the two electrons while the 4p decay proceeds in a single step. Despite the large differences in the two-dimensional energy spectra we find the shape of the energy sum spectra rather similar. For the description of the 4p decay we propose a model which uses available single electron spectra, but suggest an alternative interpretation of these data. With this we are able to explain the range over which the available energy is shared. Key assumptions of the model are verified by our experiments on the 3d decay.

  8. Core-resonant double photoemission from palladium films.

    PubMed

    Kostanovskiy, I; Schumann, F O; Aliaev, Y; Wei, Z; Kirschner, J

    2016-01-13

    We studied the core-resonant double photoemission process from palladium films with linearly polarized synchrotron radiation. We excited either the 3d or 4p core level and focused on the Auger transitions which leave two holes in the valence band. We find that the two-dimensional energy distributions are markedly different for the 3d and 4p decay. The 3d decay can be understood by a sequential emission of the two electrons while the 4p decay proceeds in a single step. Despite the large differences in the two-dimensional energy spectra we find the shape of the energy sum spectra rather similar. For the description of the 4p decay we propose a model which uses available single electron spectra, but suggest an alternative interpretation of these data. With this we are able to explain the range over which the available energy is shared. Key assumptions of the model are verified by our experiments on the 3d decay. PMID:26648513

  9. Correlation versus surface effects in photoemission of quasi-1D organic conductors

    NASA Astrophysics Data System (ADS)

    Claessen, R.; Schwingenschlögl, U.; Sing, M.; Jacobsen, C. S.; Dressel, M.

    2002-03-01

    The absence of spectral weight at the Fermi level in photoemission spectra of quasi-1D organic conductors has been interpreted as possible evidence for an unusual many-body state. We demonstrate that great care must be exercised to draw this conclusion exclusively on the basis of a pseudogap. A detailed surface characterization of the charge transfer salts (TMTSF)2PF6 and TTF-TCNQ shows that signatures of electronic correlations in the valence band spectra are strongly affected by surface effects and may even be completely obscured.

  10. Surface composition of biopolymer blends Biospan-SP/Phenoxy and Biospan-F/Phenoxy observed with SFG, XPS, and contact angle goniometry

    SciTech Connect

    Chen, Z.; Eppler, A.S.; Shen, Y.R.; Somorjai, G.A.; Ward, R.; Tian, Y.

    1999-04-15

    The surface compositions of two biopolymer blends, Biospan-SP/Phenoxy (BSP/PHE) and Biospan-F/Phenoxy (BF/PHE), have been studied using sum frequency generation (SFG), X-ray photoemission spectroscopy (XPS), and contact angle goniometry. BSP and BF are polyurethanes capped with poly(dimethylsiloxane) (PDMS) and fluoroalkyl (-(-CF{sub 2}-){sub n}-) as end groups, respectively. With contact angle goniometry, the surface tensions of pure BSP, BF, and PHE were found to be 26, 16, and 45 dyne/cm. For each of the blends, the polymer component with a lower surface concentration of the surface-active component increases sharply as its bulk concentration increases. For BSP/PHE (and BF/PHE) in air, the surface of the polymer blend is fully covered by BSP (and BF) at a bulk concentration of 3.5 wt % (and 1 wt %). The contact angle measurements and the XPS studies yield compatible results. Comparison of results for BSP/PHE, BS/PHE (published before), and BF/PHE polymer blends shows that the lower the surface energy of the surface-active component (surface tension: BF < BS < BSP), the easier it is for the component to segregate to the surface (the minimum bulk concentration to saturate the surface is BF (1 wt %) < BS (1.7 wt %) < BSP (3.5 wt %)). After exposure to water, SFG spectra indicate that the surface layer of a polymer blend could be restructured. For BSP (3.5 wt %)/PHE, the hydrophobic end groups of BSP submerge while the hydrophilic polyurethane backbone emerges. For BF (1 wt %)/PHE, PHE emerges at the surface after exposure to water, but for BF (5 wt %)/PHE, the BF component dominates the surface in both air and water. Their results demonstrate the bifunctionality of polymer blends and show that the surface chemistry of polymer blends may be dominated by a minor component, while the mechanical stability of the polymer is controlled by the major component.

  11. 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.

  12. Soft X-ray angle-resolved photoemission with micro-positioning techniques for metallic V2O3

    PubMed Central

    Fujiwara, Hidenori; Kiss, Takayuki; Wakabayashi, Yuki K.; Nishitani, Yoshito; Mori, Takeo; Nakata, Yuki; Kitayama, Satoshi; Fukushima, Kazuaki; Ikeda, Shinji; Fuchimoto, Hiroto; Minowa, Yosuke; Mo, Sung-Kwan; Denlinger, Jonathan D.; Allen, James W.; Metcalf, Patricia; Imai, Masaki; Yoshimura, Kazuyoshi; Suga, Shigemasa; Muro, Takayuki; Sekiyama, Akira

    2015-01-01

    Soft X-ray angle-resolved photoemission has been performed for metallic V2O3. By combining a microfocus beam (40 µm × 65 µm) and micro-positioning techniques with a long-working-distance microscope, it has been possible to observe band dispersions from tiny cleavage surfaces with a typical size of several tens of µm. The photoemission spectra show a clear position dependence, reflecting the morphology of the cleaved sample surface. By selecting high-quality flat regions on the sample surface, it has been possible to perform band mapping using both photon-energy and polar-angle dependences, opening the door to three-dimensional angle-resolved photoemission spectroscopy for typical three-dimensional correlated materials where large cleavage planes are rarely obtained. PMID:25931096

  13. 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.

  14. 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.

  15. 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.

  16. Heterojunction-Internal-Photoemission Infrared Detectors

    NASA Technical Reports Server (NTRS)

    Maserjian, Joseph

    1991-01-01

    New type of photodetector adds options for design of imaging devices. Heterojunction-internal-photoemission (HIP) infrared photodetectors proposed for incorporation into planar arrays in imaging devices required to function well at wavelengths from 8 to 17 micrometers and at temperatures above 65 K. Photoexcited electrons cross energy barrier at heterojunction and swept toward collection layer. Array of such detectors made by etching mesa structures. HIP layers stacked to increase quantum efficiency. Also built into integrated circuits including silicon multiplexer/readout circuits.

  17. Dopamine adsorption on anatase TiO2(101): a photoemission and NEXAFS spectroscopy study.

    PubMed

    Syres, K; Thomas, A; Bondino, F; Malvestuto, M; Grätzel, M

    2010-09-21

    The adsorption of dopamine onto an anatase TiO(2)(101) single crystal has been studied using photoemission and NEXAFS techniques. Photoemission results suggest that the dopamine molecule adsorbs on the surface in a bidentate geometry, resulting in the removal of band gap states in the TiO(2) valence band. Using the searchlight effect, carbon K-edge NEXAFS spectra indicate that the phenyl rings in the dopamine molecules are orientated normal to the surface. A combination of experimental and computational results indicates the appearance of new unoccupied states arising following adsorption. The possible role of these states in the charge-transfer mechanism of the dopamine-TiO(2) system is discussed. PMID:20735026

  18. Multiatom Resonant Photoemission on NiO

    NASA Astrophysics Data System (ADS)

    Fadley, Charles; Mannella, Norman; Yang, See-Hun; Mun, Simon; van Hove, Michel

    2002-03-01

    In several recent papers, it has been pointed out that the core photoemission intensities of a given atom can be modified significantly when the photon energy is tuned through the absorption edge of a neighboring atom. Although some first experimental results of this type were distorted by detector non-linearity, a clear picture of the phenomenon has now emerged, with both macroscopic x-ray optical (dielectric) and microscopic quantum mechanical models quantitatively describing the effects [1]. In this talk, we will clarify a remaining experimental discrepancy with these models [2] by presenting new experimental results for O 1s photoemission from NiO(001) as photon energy is scanned through the Ni 2p absorption edges, and comparing the data to x-ray optical calculations. Other data for an adsorbate and free molecules will also be discussed. This work was supported by DOE contract No. DE-AC03-76SF00098. [1] A.W. Kay, F.J. Garcia de Abajo, S.-H. Yang, E. Arenholz, B.S. Mun, N. Mannella, Z. Hussain, M.A. Van Hove, and C.S. Fadley, Phys. Rev. B 63, 115119 (2001). [2] M. Finazzi, G. Ghiringhelli, O. Tjernberg, L. Duo, A. Tagliaferri, P. Ohresser, and N. B. Brookes, photoemission measurements for CuO and NiO, Phys. Rev. B 62, R16215 (2000).

  19. In situ measurements of the desorption of water from a TiO₂ surface under dry air by collecting the photoemission yield with an open counter.

    PubMed

    Yamashita, Daisuke; Ishizaki, Atsushi; Yamamoto, Tomoyuki

    2014-01-01

    We investigated the desorption of water from a TiO2 surface under a dry atmosphere by collecting the photoemission yield spectra with an open counter. For this purpose, a new attachment for the photoemission yield measurement was prepared. This apparatus is capable of detecting, in the open air, low-energy electrons excited by photons under dried atmospheres; the dew point is below -35°C. A significant change in the photoemission yield spectra due to exposure to a dry atmosphere was observed. To gain a better understanding of these results, observations of the change in the photoemission yield spectra caused by the thermal desorption of adsorbed water were also carried out. The results are consistent with those obtained by exposure to a dry atmosphere. Based on the relationship between the photoemission yield and the thickness of the water layer, the time dependence of the change in the thickness was explained by the second-order reaction rate equation. PMID:24813956

  20. Evidencing the need for high spatial resolution in angle-resolved photoemission experiments

    NASA Astrophysics Data System (ADS)

    Joucken, Frédéric; Reckinger, Nicolas; Lorcy, Stéphane; Avila, José; Chen, Chaoyu; Lagoute, Jérôme; Colomer, Jean-François; Ghijsen, Jacques; Asensio, Maria Carmen; Sporken, Robert

    2016-06-01

    Angle-resolved photoemission spectroscopy (ARPES) is the most direct tool to measure the electronic structure of materials. In particular, fine features of the spectra can be analyzed for evaluating the electron self-energy. Owing to a setup allowing ARPES investigation with submicron resolution and state-of-the-art energy and momentum resolution, we show here first that ARPES spectra of pristine and virtually undoped monolayer graphene acquired on a small spot do not display manifestations of self-energy. We next demonstrate that, although the region of the sample investigated is a unique graphene domain, it displays faint spatial inhomogeneity, both in its crystallographic orientation and its thickness, which is undetectable with conventional ARPES but renders the spectra improper for self-energy extraction. These results indicate that care should be taken when analyzing ARPES spectra obtained with poor spatial resolution.

  1. PLA-PMMA blends: A study by XPS and ToF-SIMS

    NASA Astrophysics Data System (ADS)

    Cossement, D.; Gouttebaron, R.; Cornet, V.; Viville, P.; Hecq, M.; Lazzaroni, R.

    2006-07-01

    This paper reports which are the possibilities of quantification by time of flight secondary ion mass spectrometry (ToF-SIMS) for some polymer blends. In order to assess the composition of the mixtures, we studied first different poly( L-lactide)/polymethylmethacrylate (PLA/PMMA) blends by X-ray photoelectron spectroscopy (XPS), this technique being quantitative. By XPS fitting of the C 1s level, we found a very good agreement of the measured concentrations with the initial compositions. Concerning ToF-SIMS data treatment, we used principal component analysis (PCA) on negative spectra allowing to discriminate one polymer from the other one. By partial least square regression (PLS), we found also a good agreement between the ToF-SIMS predicted and initial compositions. This shows that ToF-SIMS, in a similar way to XPS, can lead to quantitative results. In addition, the observed agreement between XPS (60-100 Å depth analyzed) and ToF-SIMS (10 Å depth analyzed) measurements show that there is no segregation of one of the two polymers onto the surface.

  2. Photoemission from graphite: Intrinsic and self-energy effects

    SciTech Connect

    Strocov, V. N.; Charrier, A.; Themlin, J.-M.; Rohlfing, M.; Claessen, R.; Barrett, N.; Avila, J.; Sanchez, J.; Asensio, M.-C.

    2001-08-15

    We report a photoemission study on high-quality single-crystal graphite epitaxially grown on SiC. The results are interpreted using independent information on the final states obtained by very-low-energy electron diffraction. Significant intrinsic photoemission and surface effects are identified, which distort the photoemission response and narrow the observed dispersion range of the {pi} state. We assess its true dispersion range using a model photoemission calculation. A significant dependence of the excited-state self-energy effects on the wave-function character is found. The experimental results are compared with a GW calculation.

  3. 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.

  4. 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.

  5. 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.

  6. HIGH RESOLUTION PHOTOEMISSION STUDIES OF COMPLEX MATERIALS.

    SciTech Connect

    JOHNSON,P.D.

    1999-10-13

    Recent instrumentation developments in photoemission are providing new insights into the physics of complex materials. With increased energy and momentum resolution, it has become possible to examine in detail different contributions to the self-energy or inverse lifetime of the photohole created in the photoexcitation process, Employing momentum distribution and energy distribution curves, a detailed study of the optimally doped cuprate, Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub g+{delta}}, shows that the material behaves like a non-Fermi liquid with no evidence for the quasi-particles characteristic of a Fermi liquid.

  7. Valence band structure of binary chalcogenide vitreous semiconductors by high-resolution XPS

    SciTech Connect

    Kozyukhin, S.; Golovchak, R.; Kovalskiy, A.; Shpotyuk, O.; Jain, H.

    2011-04-15

    High-resolution X-ray photoelectron spectroscopy (XPS) is used to study regularities in the formation of valence band electronic structure in binary As{sub x}Se{sub 100-x}, As{sub x}S{sub 100-x}, Ge{sub x}Se{sub 100-x} and Ge{sub x}S{sub 100-x} chalcogenide vitreous semiconductors. It is shown that the highest occupied energetic states in the valence band of these materials are formed by lone pair electrons of chalcogen atoms, which play dominant role in the formation of valence band electronic structure of chalcogen-rich glasses. A well-expressed contribution from chalcogen bonding p electrons and more deep s orbitals are also recorded in the experimental valence band XPS spectra. Compositional dependences of the observed bands are qualitatively analyzed from structural and compositional points of view.

  8. A comparative study on defect estimation using XPS and Raman spectroscopy in few layer nanographitic structures.

    PubMed

    Ganesan, K; Ghosh, Subrata; Gopala Krishna, Nanda; Ilango, S; Kamruddin, M; Tyagi, A K

    2016-08-10

    Defects in planar and vertically oriented nanographitic structures (NGSs) synthesized by plasma enhanced chemical vapor deposition (PECVD) have been investigated using Raman and X-ray photoelectron spectroscopy. While Raman spectra reveal the dominance of vacancy and boundary type defects respectively in vertical and planar NGSs, XPS provides additional information on vacancy related defect peaks in the C 1s spectrum, which originate from non-conjugated carbon atoms in the hexagonal lattice. Although an excellent correlation prevails between these two techniques, our results show that estimation of surface defects by XPS is more accurate than Raman analysis. Nuances of these techniques are discussed in the context of assessing defects in nanographitic structures. PMID:27445041

  9. 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.

  10. Fingerprints of entangled spin and orbital physics in itinerant ferromagnets via angle-resolved resonant photoemission

    NASA Astrophysics Data System (ADS)

    Da Pieve, F.

    2016-01-01

    A method for mapping the local spin and orbital nature of the ground state of a system via corresponding flip excitations is proposed based on angle-resolved resonant photoemission and related diffraction patterns, obtained here via an ab initio modified one-step theory of photoemission. The analysis is done on the paradigmatic weak itinerant ferromagnet bcc Fe, whose magnetism, a correlation phenomenon given by the coexistence of localized moments and itinerant electrons, and the observed non-Fermi-Liquid behavior at extreme conditions both remain unclear. The combined analysis of energy spectra and diffraction patterns offers a mapping of local pure spin-flip, entangled spin-flip-orbital-flip excitations and chiral transitions with vortexlike wave fronts of photoelectrons, depending on the valence orbital symmetry and the direction of the local magnetic moment. Such effects, mediated by the hole polarization, make resonant photoemission a promising tool to perform a full tomography of the local magnetic properties even in itinerant ferromagnets or macroscopically nonmagnetic systems.

  11. Internal Photoemission and X-Ray Photoelectron Spectroscopic Studies of Sulfur-Passivated GaAs

    NASA Astrophysics Data System (ADS)

    Sato, Kenji; Ikoma, Hideaki

    1993-02-01

    Internal photoemission and X-ray photoelectron spectroscopic (XPS) measurements were performed to investigate the effect of sulfur passivation on the GaAs surface and the degradation of the GaAs surface exposed to air ambient after the passivation. The reverse bias dependence of the Schottky barrier height was very small in the as-sulfur-treated sample and was mainly explained by the image force lowering effect. However, it increased as this sample was exposed to air, indicating an increase in the interface state density. The XPS studies showed that both the Ga and As oxides were hardly observed in the sulfur-passivated samples. This indicates that sulfur passivation strongly suppresses oxidation of GaAs. However, a small amount of elemental arsenic was observed with a trace of the As suboxides (such as AsO) after exposure to air and it increased as the exposure time was increased. These results were probably correlated with the increase in the bias dependence of the Schottky barrier height in samples exposed to air after the passivation. Thermal oxidation of GaAs was found to be retarded by sulfur passivation until oxidation time was about 10 min at 300°C. A possible model of suppression of oxidation by sulfur passivation was also discussed.

  12. 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.

  13. 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.

  14. Photoemission from glass dust grains: First measurements

    NASA Astrophysics Data System (ADS)

    Nouzak, Libor; Pechal, Radim; Pavlu, Jiri; Safrankova, Jana; Nemecek, Zdenek

    2014-05-01

    Dust grains are present in the interstellar space and also on surfaces of space objects like the Moon. The grains are charged by photoemission caused by solar UV radiation and by charged particles from the ambient plasma (solar wind, planetary magnetospheres). A balance of different charging processes on both sunlit and night sides of the Moon causes interesting phenomena as dust horizon glow, dust fountains, and dust levitation. To contribute to a better understanding of these processes, we present laboratory investigations that use a single SiO2 grain of micron size (an archetype of the lunar dust) caught in the electrodynamic trap. We irradiate it by HeI (21.2 eV) photons and electrons and discuss a contribution of these two processes to the grain charge. The grain specific charge is evaluated by an analysis of its motion and position in the trap. We compare equilibrium charge-to-mass ratios given by the electron emissions induced by electrons and by the UV photons from the HeI lamp. First measurements indicate that the resulting charge is about twice larger for photoemission than that caused by an electron impact.

  15. Direct observation of the mass renormalization in SrVO3 by angle resolved photoemission spectroscopy

    SciTech Connect

    Yoshida, t.

    2010-05-03

    We have performed an angle-resolved photoemission study of the three-dimensional perovskite-type SrVO{sub 3}. Observed spectral weight distribution of the coherent part in the momentum space shows cylindrical Fermi surfaces consisting of the V 3d t{sub 2g} orbitals as predicted by local-density approximation (LDA) band-structure calculation. The observed energy dispersion shows a moderately enhanced effective mass compared to the LDA results, corresponding to the effective mass enhancement seen in the thermodynamic properties. Contributions from the bulk and surface electronic structures to the observed spectra are discussed based on model calculations.

  16. 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.

  17. Potassium-induced charge redistribution on Si(111) surfaces studied by core-level photoemission spectroscopy

    SciTech Connect

    Ma, Y. ); Chen, C.T.; Meigs, G.; Sette, F. ); Illing, G. ); Shigakawa, H. )

    1992-03-15

    High-resolution core-level photoemission spectra of the K/Si(111)(7{times}7) surface system are presented. The Si 2{ital p} results show that potassium adsorption induces a Si 2{ital p} core level to shift to o/Ihighero/P binding energy, i.e., to the opposite direction than that expected from the Si-K electronegativity differences. This result is compared with that of the K/Si(111)({radical}3 {times} {radical}3 ){ital R}30{degree}-B system and is interpreted in terms of the K-induced charge redistribution between the Si-adatom--rest-atom pair.

  18. GaAs clean up studied with synchrotron radiation photoemission

    NASA Astrophysics Data System (ADS)

    Tallarida, Massimo; Adelmann, Christoph; Delabie, Annelies; van Elshocht, Sven; Caymax, Matty; Schmeisser, Dieter

    2012-12-01

    In this contribution we describe the chemical changes at the surface of GaAs upon adsorption of tri-methyl-aluminum (TMA). TMA is used to grow Al2O3 with atomic layer deposition (ALD) usually using H2O as oxygen source. Recently, it was pointed out that the adsorption of TMA on various III-V surfaces reduces the native oxide, allowing the growth of an abrupt III-V/High-K interface with reduced density of defects. Synchrotron radiation photoemission spectroscopy (SR-PES) is a powerful method to characterize surfaces and interfaces of many materials, as it is capable to determine their chemical composition as well as the electronic properties. We performed in-situ SR-PES measurements after exposing a GaAs surface to TMA pulses at about 250°C. Upon using the possibility of tuning the incident photon energy we compared the Ga3d spectra at 41 eV, 71 eV, 91 eV and 121 eV, as well as the As3d at 71 eV and 91 eV. Finally, we show that using SR-PES allows a further understanding of the surface composition, which is usually not accessible with other techniques.

  19. Nitrogen Doping and Thermal Stability in HfSiOxNy Studied by Photoemission and X-ray Absorption Spectroscopy

    SciTech Connect

    Toyoda, Satoshi; Okabayashi, Jun; Takahashi, Haruhiko; Oshima, Masaharu; Lee, Dong-Ick; Sun, Shiyu; sun, Steven; Pianetta, Piero A.; Ando, Takashi; Fukuda, Seiichi; /SONY, Atsugi

    2005-12-14

    We have investigated nitrogen-doping effects into HfSiO{sub x} films on Si and their thermal stability using synchrotron-radiation photoemission and x-ray absorption spectroscopy. N 1s core-level photoemission and N K-edge absorption spectra have revealed that chemical-bonding states of N-Si{sub 3-x}O{sub x} and interstitial N{sub 2}-gas-like features are clearly observed in as-grown HfSiO{sub x}N{sub y} film and they decrease upon ultrahigh vacuum (UHV) annealing due to a thermal instability, which can be related to the device performance. Annealing-temperature dependence in Hf 4f and Si 2p photoemission spectra suggests that the Hf-silicidation temperature is effectively increased by nitrogen doping into the HfSiO{sub x} although the interfacial SiO{sub 2} layer is selectively reduced. No change in valence-band spectra upon UHV annealing suggests that crystallization of the HfSiO{sub x}N{sub y} films is also hindered by nitrogen doping into the HfSiO{sub x}.

  20. XPS surface study of nanocrystalline Ti Ru Fe materials

    NASA Astrophysics Data System (ADS)

    Suñol, J. J.; Bonneau, M. E.; Roué, L.; Guay, D.; Schulz, R.

    2000-02-01

    The surface properties of Ti:Ru:Fe (2- x:1+ x/2:1+ x/2) (with x=0, 0.25, 0.5, 0.75, and 1) and Ti:Ru:Fe:O (2:1:1: w) (with w=0.0, 0.5, 1.0, 1.5, and 2.0) have been determined by X-ray photoelectron spectroscopy (XPS) in both their as-milled state and after being in contact with a chlorate oxidizing solution. The O surface concentrations of both sets of samples are almost identical, indicating that the O-free samples readily react with air. All samples in their as-milled state have an elemental Ti, Ru and Fe surface contents that closely follow that expected from their bulk composition, indicating that there is no surface enrichment in any of the elements. In the as-milled state, more than 90% of Ti and Fe atoms are in the highest possible oxidation state, while Ru is in the metallic state. Following immersion of the samples in an oxidizing chlorate electrolyte, the Ru surface concentration decreases by a factor of two. This is also accompanied by an increase in the oxidation state of the Ru atoms left at the surface from 0 to +4. From a comparison between the Ru 3 d5/2,3/2 core level spectra of the electrodes with those of crystalline and hydrated RuO 2, it is postulated that dissolution and re-deposition of Ru in the form of hydrated RuO 2 occurs at open circuit potential in the chlorate electrolyte. The consequences of these findings for the electrocatalytic activity of the electrodes in chlorate electrolyte are finally discussed.

  1. 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.

  2. 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.

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

    PubMed

    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

  4. 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

  5. Time delays in correlated photoemission processes

    NASA Astrophysics Data System (ADS)

    Pazourek, R.; Nagele, S.; Burgdörfer, J.

    2015-09-01

    We theoretically study time-resolved two-photon double ionization (TPDI) of helium as probed by attosecond streaking. We review recent advances in the understanding of the photoelectric effect in the time domain and discuss the differences between one- and two-photon ionization, as well as one- and two-electron emission. We perform exact ab-initio simulations for attosecond streaking experiments in the sequential TPDI regime and compare the results to the two-electron Eisenbud-Wigner-Smith delay for the process. Our calculations directly show that the timing of the emission process sensitively depends on the energy sharing between the two outgoing electrons. In particular, we identify Fano-like interferences in the relative time delay of the two emitted electrons when the sequential ionization channel occurs via intermediate excited ionic (shake-up) states. Furthermore, we find that the photoemission time delays are only weakly dependent on the relative emission angle of the ejected electrons.

  6. Signature of quantum criticality in photoemission spectroscopy.

    PubMed

    Klein, M; Nuber, A; Reinert, F; Kroha, J; Stockert, O; van Löhneysen, H

    2008-12-31

    A quantum phase transition in a heavy-fermion compound may destroy the Fermi-liquid ground state. However, the conditions for this breakdown have remained obscure. We report the first direct investigation of heavy quasiparticle formation and breakdown in the canonical system CeCu(6-x)Au(x) by ultraviolet photoemission spectroscopy at elevated temperatures without the complications of lattice coherence. Surprisingly, the single-ion Kondo energy scale T(K) exhibits an abrupt step near the quantum critical Au concentration of x(c) = 0.1. We show theoretically that this step is expected from a highly nonlinear renormalization of the local spin coupling at each Ce site, induced by spin fluctuations on neighboring sites. It provides a general high-temperature indicator for heavy-fermion quasiparticle breakdown at a quantum phase transition. PMID:19437657

  7. Short pulse photoemission from a dispenser cathode

    NASA Astrophysics Data System (ADS)

    Bergeret, H.; Boussoukaya, M.; Chehab, R.; Leblond, B.; Le Duff, J.

    1991-03-01

    Pulsed photoemission in the picosecond regime has been obtained from a standard thermionic dispenser cathode (WBaCa) at temperatures below the measurable thermoemission threshold. A picosecond Nd : YAG mode locked laser has been used at both green and UV light. Micropulse charges up to 0.5 nC have been measured on a wideband coaxial pickup located behind the anode. They correspond to an electron saturation limit from an approximately 20 mm 2 illuminated cathode area with a surface field of 3 MV/m. The effective cathode efficiency at small laser energies, defined as the number of electrons impinging on the coaxial pickup divided by the number of photons impinging on the cathode, is about 2 × 10 -5.

  8. 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.

  9. Plasma bromination of HOPG surfaces: A NEXAFS and synchrotron XPS study

    NASA Astrophysics Data System (ADS)

    Lippitz, Andreas; Friedrich, Jörg F.; Unger, Wolfgang E. S.

    2013-05-01

    Br bonding on plasma brominated graphite surfaces has been studied by using Near Edge X-ray Absorption Fine Structure (NEXAFS) and X-ray Photoelectron Spectroscopy (XPS). Br2 and bromoform were used as plasma gases in an r.f. cw low pressure plasma process. Kr plasma had been used to study separately the physical and chemical plasma etching effects. At early steps of plasma bromination which lead to only small XPS Br surface concentration values a quick decay of aromaticity has been observed. At low Br surface concentration radical or even electrophilic addition of bromine onto sp2 carbon atoms is discussed as the dominating reaction pathway. At higher Br surface concentrations the inherent formation of sp3 defects in the graphene network by chemical etching processes promotes nucleophilic substitution of bromine at sp3 carbons as a competing reaction pathway. Both reaction pathways lead to C-Br species characterized by the same Br 3d XPS binding energy. However more than one Br 3d component in XP spectra has been found at lower Br2 plasma induced Br surface concentrations and complexation of bromine at HOPG is assumed as a third way of interaction with Br2 plasma.

  10. 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. PMID:25844940

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

    SciTech Connect

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

    2013-12-28

    X-ray photoelectron spectroscopy (XPS), and in particular the U4f level, has been widely used to elucidate the chemical state of uranium in various materials. In large part, previous experimental work has relied on comparing the U4f spectra of an unknown to some “standard” or using qualitative intuitive judgments on the expected behavior of the primary lines and satellite structures as a function of oxidation state and bonding environment. Such approaches are useful and can be sufficiently robust to make defensible claims. Nonetheless, there is no quantitative understanding of the chemistry and physics that control satellite structures or even the shape of the primary peaks. To address this issue, we used a rigorous, strictly ab initio theoretical approach to investigate the U(4f) XPS of U oxides with formal U(VI) and U(IV) oxidation states. Our theoretical studies are based on the electronic structures of embedded cluster models, where bonding between U and O is explicitly incorporated. We demonstrate that treatment of the many-body character of the cluster wavefunctions is essential to correctly model and interpret the U4f XPS. Here we definitively show that shake configurations, where an electron is transferred from a dominantly O2p bonding orbital into dominantly 5f or 6d antibonding orbitals, are indeed responsible for the major satellite features. Based on this rigorous theoretical framework, it is possible to establish quantitative relationships between features of the XPS spectra and the chemistry of the material.

  12. 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.

  13. Acetate- and thiol-capped monodisperse ruthenium nanoparticles: XPS, XAS, and HRTEM studies.

    PubMed

    Chakroune, Nassira; Viau, Guillaume; Ammar, Souad; Poul, Laurence; Veautier, Delphine; Chehimi, Mohamed M; Mangeney, Claire; Villain, Françoise; Fiévet, Fernand

    2005-07-19

    Monodisperse ruthenium nanoparticles were prepared by reduction of RuCl3 in 1,2-propanediol. The mean particle size was controlled by appropriate choice of the reduction temperature and the acetate ion concentration. Colloidal solutions in toluene were obtained by coating the metal particles with dodecanethiol. High-resolution transmission electron microscopy (HRTEM), X-ray photoelectron spectroscopy (XPS), and X-ray absorption spectroscopy (XANES and EXAFS for the Ru K-absorption edge) were performed on particles of two different diameters, 2 and 4 nm, and in different environments, polyol/acetate or thiol. For particles stored in polyol/acetate XPS studies revealed superficial oxidation limited to one monolayer and a surface coating containing mostly acetate ions. Analysis of the EXAFS spectra showed both oxygen and ruthenium atoms around the ruthenium atoms with a Ru-Ru coordination number N smaller than the bulk value, as expected for fine particles. In the case of 2 nm acetate-capped particles N is consistent with particles made up of a metallic core and an oxidized monolayer. For 2 nm thiol-coated particles, a Ru-S bond was evidenced by XPS and XAS. For the 4 nm particles XANES and XPS studies showed that most of the ruthenium atoms are in the zerovalent state. Nevertheless, in both cases, when capped with thiol, the Ru-Ru coordination number inferred from EXAFS is much smaller than for particles of the same size stored in polyol. This is attributed to a structural disorganization of the particles by thiol chemisorption. HRTEM studies confirm the marked dependence of the structural properties of the ruthenium particles on their chemical environment; they show the acetate-coated particles to be single crystals, whereas the thiol-coated particles appear to be polycrystalline. PMID:16008388

  14. Photoemission from Shockley surface state on Ag(111)

    NASA Astrophysics Data System (ADS)

    Karkare, Siddharth; Wan, Weishi; Feng, Jun; Padmore, Howard

    We present measurements of quantum yield and transverse momentum distributions of electrons emitted from the Shockley surface state on Ag(111) surface using near threshold photons. Our measurements shed light on the validity of the conservation of transverse momentum during photoemission when the kinetic energy of electrons is less than 0.1 eV. We also develop a one-step photoemission model that quantitatively explains photoemission from single crystal metal surfaces. This model accurately calculates the dependence of the electron yield on the angle of incidence and the polarization of incident light (vectorial photoelectric effect). We show excellent agreement between the measured and calculated photoemission properties of the Ag(111) surface. Our measurements show that Ag(111) surface can act as an excellent electron source for several applications like Free Electron Lasers and Ultra-fast Electron Diffraction.

  15. Plasmon response of a quantum-confined electron gas probed by core-level photoemission

    SciTech Connect

    Ozer, Mustafa M; Moon, Eun Ju; Eguiluz, Adolfo G; Weitering, Harm H

    2011-01-01

    We demonstrate the existence of quantized 'bulk' plasmons in ultrathin magnesium films on Si(111) by analyzing plasmon-loss satellites in core-level photoemission spectra, recorded as a function of the film thickness d. Remarkably, the plasmon energy is shown to vary as 1/d{sup 2} all the way down to three atomic layers. The loss spectra are dominated by the n=1 and n=2 normal modes, consistent with the excitation of plasmons involving quantized electronic subbands. With decreasing film thickness, spectral weight is gradually transferred from the plasmon modes to the low-energy single-particle excitations. These results represent striking manifestations of the role of quantum confinement on plasmon resonances in precisely controlled nanostructures.

  16. 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.

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

    NASA Astrophysics Data System (ADS)

    Schaefer, Michael; Schlaf, Rudy

    2015-08-01

    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 (Ru0) and its oxide (RuO2) 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 Ru0 and RuO2 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 RuO2 and 0.04 Å/cycle for Ru.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 RuO2/OH compound whose surface is saturated with hydroxyl groups.

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

    PubMed

    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

    2016-08-10

    We studied the electronic structure of Mo-rich Mo1-x Re x alloys ([Formula: see text]) 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. PMID:27301550

  19. 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.

  20. 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.

  1. Angle-resolved Photoemission Spectroscopy Study on the Surface States of the Correlated Topological Insulator YbB6

    PubMed Central

    Xia, M.; Jiang, J.; Ye, Z. R.; Wang, Y. H.; Zhang, Y.; Chen, S. D.; Niu, X. H.; Xu, D. F.; Chen, F.; Chen, X. H.; Xie, B. P.; Zhang, T.; Feng, D. L.

    2014-01-01

    YbB6 is recently predicted to be a moderately correlated topological insulator, which provides a playground to explore the interplay between correlation and topological properties. With angle-resolved photoemission spectroscopy, we directly observed almost linearly dispersive bands around the time-reversal invariant momenta and with negligible kz dependence, consistent with odd number of surface states crossing the Fermi level in a Z2 topological insulator. Circular dichroism photoemission spectra suggest that these in-gap states possess chirality of orbital angular momentum, which is related to the chiral spin texture, further indicative of their topological nature. The observed insulating gap of YbB6 is about 100 meV, larger than that found by theoretical calculations. Our results present strong evidence that YbB6 is a correlated topological insulator and provide a foundation for further studies of this promising material. PMID:25102781

  2. 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.

  3. Dirac Fermions in graphene and graphite---a view from angle-resolved photoemission spectroscopy

    NASA Astrophysics Data System (ADS)

    Zhou, Shuyun

    The research in graphene has exploded in the past few years, due to its intriguing physics as an emerging paradigm for relativistic condensed matter physics as well as its great promise for application in next generation electronics. Understanding the low energy electronic structure of graphene is fundamental as most of the intriguing properties of graphene arise from its peculiar electronic dispersion, which resembles that of relativistic Dirac Fermions. This thesis presents a detailed study of the low energy electronic structure of graphene and its related three dimensional material - graphite - by using angle-resolved photoemission spectroscopy (ARPES), a direct probe of the electronic structure. In particular, the evolution of the Dirac Fermions in graphene and graphite as well as the effect of impurities is the focus of this thesis. This thesis is organized as follows. The first chapter is an introduction of the electronic structure of graphene and graphite, and the specialty of Dirac fermions compared to quasiparticles in conventional condensed matter systems. Chapter 2 is an introduction of the techniques used throughout this thesis - angle resolved photoemission spectroscopy (ARPES), X-ray photoemission spectroscopy (XPS) and low energy electron microscopy (LEEM). Chapter 3 discusses the growth and characterization of epitaxial graphene on SiC wafers. Chapters 4 and 5 present the ARPES results on epitaxial graphene, the evolution of the low energy electronic dynamics as a function of sample thickness and how to make graphene a finite band gap semiconductor. More specifically, chapter 4 discusses how a gap is induced between the valence and conduction bands by graphene-substrate interaction and chapter 6 shows how a reversible metal-insulator transition can be possibly induced in epitaxial graphene by hole doping. Chapters 6 and 7 show the ARPES results on three dimensional graphite samples. Chapter 6 shows the coexistence of Dirac fermions with massive

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

    SciTech Connect

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

    2013-06-15

    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 ({approx}1 eV) in the core level binding energies was observed.

  5. 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.

  6. Internal Photoemission Spectroscopy of 2-D Materials

    NASA Astrophysics Data System (ADS)

    Nguyen, Nhan; Li, Mingda; Vishwanath, Suresh; Yan, Rusen; Xiao, Shudong; Xing, Huili; Cheng, Guangjun; Hight Walker, Angela; Zhang, Qin

    Recent research has shown the great benefits of using 2-D materials in the tunnel field-effect transistor (TFET), which is considered a promising candidate for the beyond-CMOS technology. The on-state current of TFET can be enhanced by engineering the band alignment of different 2D-2D or 2D-3D heterostructures. Here we present the internal photoemission spectroscopy (IPE) approach to determine the band alignments of various 2-D materials, in particular SnSe2 and WSe2, which have been proposed for new TFET designs. The metal-oxide-2-D semiconductor test structures are fabricated and characterized by IPE, where the band offsets from the 2-D semiconductor to the oxide conduction band minimum are determined by the threshold of the cube root of IPE yields as a function of photon energy. In particular, we find that SnSe2 has a larger electron affinity than most semiconductors and can be combined with other semiconductors to form near broken-gap heterojunctions with low barrier heights which can produce a higher on-state current. The details of data analysis of IPE and the results from Raman spectroscopy and spectroscopic ellipsometry measurements will also be presented and discussed.

  7. Atomic Near-Degeneracy For Photoemission: Generality of 4f Excitations

    SciTech Connect

    Bagus, Paul S.; Broer, R.; Ilton, Eugene S.

    2008-09-01

    In a previous study of the 3s X-ray photoelectron spectra, XPS, of Mn, we identified a new intra-atomic many-body effect that lead to an ~50% increase in the predicted exchange splitting of the main high spin and low spin XPS peaks. The new many-body effect involved the promotion of one electron from the M shell, 3s, 3p, and 3d, into a 4f orbital and a redistribution of the remaining electrons over the M shell orbitals; of particular importance were frustrated Auger configurations. FAC’s where the 3s shell was filled. In the present work, we demonstrate the general importance of these 4f FAC’s by showing that they are of comparable importance for increasing the 3s exchange splitting in Ni as they were in Mn.

  8. Correlation effects in photoemission from adsorbates: Hydrogen on narrow-band metals

    NASA Astrophysics Data System (ADS)

    Rubio, J.; Refolio, M. C.; López Sancho, M. P.; López Sancho, J. M.

    1988-08-01

    This paper deals with photoemission from a one-level atom adsorbed on a metal surface within the context of Anderson's Hamiltonian. The occupied part of the adsorbate density of states (DOS) is calculated by means of a many-electron approach that incorporates the following ingredients: (1) A neat separation between final-state interactions and initial (ground-state) effects. (2) The method (a Lehmann-type representation) leans heavily on the resolvent operator, R(z)=(z-H)-1, which is obtained by expressing Dyson's equation in terms of the (N-1)-electron states (configurations) that diagonalize the hopping-free part of Anderson's Hamiltonian, thereby including the atomic correlation (U) in a nonperturbative way while expanding in powers of the hopping parameter (V). (3) By using blocking methods, the matrix elements of R are grouped into equivalent 4×4 matrix blocks, with residual interactions, which are then put in correspondence with the sites of a rectangular lattice, thereby making the problem isomorphic to that of finding a noninteracting one-electron Green's function in the Wannier representation. (4) Renormalized perturbation theory, along with a series of convolution theorems due to Hugenholtz and Van Hove, allows one to develop a self-consistency equation that automatically takes into account an infinite number of configurations. The resulting DOS is compared with photoemission spectra from hydrogen adsorbed on tungsten (half-filled metal band) and nickel (almost full). Correlation effects turn out to produce peaks at the appropriate energies, so that an unusually good agreement is found despite the featureless, semielliptical DOS adopted for the metal. Only gross features of this quantity, such as width, center, and occupation of the band, seem to matter in a photoemission calculation.

  9. AES XPS study of chromium carbides and chromium iron carbides

    NASA Astrophysics Data System (ADS)

    Detroye, M.; Reniers, F.; Buess-Herman, C.; Vereecken, J.

    1999-04-01

    The nature of chromium rich carbides which precipitate at grain boundaries in steels is still not perfectly understood. We performed a multitechnique approach on model chromium carbide and chromium-iron carbide samples: Auger Electron Spectroscopy (AES), X-ray Photoelectron Spectroscopy (XPS), X-ray Diffraction (XRD), and High Energy Electron Diffraction (HEED) were used to characterise the samples. Significant chemical shifts were observed for the Cr, Fe and C XPS peaks in the M 7C 3 compound (M stands for metal), indicating unambiguously that the compound formed is a mixed iron-chromium carbide.

  10. 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.

  11. 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.

  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. 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.

  14. 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.

  15. Determination of the clean 4 f peak shape in XPS for plutonium metal

    NASA Astrophysics Data System (ADS)

    Morrall, P.; Roussel, P.; Jolly, L.; Brevet, A.; Delaunay, F.

    2009-03-01

    Many of the interesting properties observed with plutonium are ascribed to the influence of 5 f electrons, and to the degree of localisation observed within these electrons. Indeed, changes in 5 f localisation are sensitively reflected in the final states observed in core-level photoemission measurements. However, when analysing the 4 f manifold of elemental plutonium, it is essential to obtain spectra without the influence of oxidation, which can easily be misinterpreted as 5 f localisation. The ideal method to extract elemental plutonium 4 f spectra is to remove any influence of oxidation from the 'clean' plutonium data by careful measurement of the oxygen 1 s region, and the subsequent subtraction of the unwanted oxide features. However, in order to achieve this objective it is essential to determine the relative sensitivity factor (RSF) for plutonium 4 f and the precise shape of the 4 f features from plutonium sesqui-oxide. In this paper, we report an experimental determination of the RSF for the plutonium 4 f manifold using experimental data captured from two different Vacuum Generators spectrometers; an ESCALAB Mk II and an ESCALAB 220i.

  16. Study on the long wavelength SiGe/Si heterojunction internal photoemission infrared photodetectors

    NASA Astrophysics Data System (ADS)

    Aslan, B.; Turan, R.; Liu, H. C.

    2005-10-01

    The theory of internal photoemission in semiconductor heterojunctions has been investigated and the existing model has been extended by incorporating the effect of different effective masses in the active region and the substrate, nonspherical-nonparabolic bands, and the energy loss per collision. Photoresponse measurements on Si 1- xGe x/Si heterojunction internal photoemission (HIP) infrared photodetectors (IP) have shown that they are fit well by the theory. Qualitative model describing the mechanisms of photocurrent generation in our structures are presented. We also study the effect of a double barrier on the photoresponse spectrum of a SiGe/Si HIP IP. It has been shown that the performance of our devices depends significantly on the applied bias and the operating temperature; therefore, their cut-off wavelengths can be tuned to the desired region by changing the potential difference across the device and/or changing the device temperature. The barrier heights (correspondingly the cut-off wavelengths) of the samples have been determined from their IP spectra by using the extended model which has the wavelength and doping concentration dependent free carrier absorption parameters.

  17. Synchrotron-radiation photoemission study of the ultrathin Ba/3C-SiC(111) interface

    NASA Astrophysics Data System (ADS)

    Kukushkin, S. A.; Benemanskaya, G. V.; Dementev, P. A.; Timoshnev, S. N.; Senkovskiy, B.

    2016-03-01

    Electronic structure of the Ba/3C-SiC(111) interface has been detailed studied in situ in an ultrahigh vacuum using synchrotron radiation photoemission spectroscopy with photon energies in the range of 100-450 eV. The 3C-SiC(111) samples were grown by a new method of epitaxy of low-defect unstressed nanoscaled silicon carbide films on silicon substrates. Valence band photoemission and both the Si 2p, C 1s core level spectra have been investigated as a function of Ba submonolayer coverage. Under Ba adsorption two induced surface bands are found at binding energies of 2 eV and 6 eV. It is obtained that Ba/3C-SiC(111) interface can be characterized as metallic-like. Modification of both the Si 2p and C 1s surface-related components were ascertained and shown to be provided by redistribution effect of electron density between Ba adatoms and both the Si surface and C interface atoms.

  18. TEM and XPS studies on CdS/CIGS interfaces

    NASA Astrophysics Data System (ADS)

    Han, Jun-feng; Liao, Cheng; Cha, Li-mei; Jiang, Tao; Xie, Hua-mu; Zhao, Kui; Besland, M.-P.

    2014-12-01

    Copper indium gallium selenide (CIGS) was deposited by metallic precursors sputtering and subsequently submitted to a selenization process. The upper CdS layers were deposited by chemical bath deposition (CBD) technique. The CdS/CIGS interfaces were investigated by Transmission Electron Microscopy (TEM) and X-ray Photoelectron Spectroscopy (XPS). As checked by XPS analysis, the CIGS surface exhibited a hydroxide-terminated CdSe layer when treated with Cd Partial Electrolyte solution (Cd PE). Its thickness was roughly estimated to several nanometers. A 100 nm thick CdS layer was deposited onto CIGS surface. The TEM images revealed a clear and sharp interface between CdS and CIGS. XPS analysis showed a CIGS surface covered by a pinhole free and homogeneous CdS layer. XPS depth profile measurement of the CdS/CIGS interface did not evidence elemental inter-diffusion between the CIGS and CdS layers, in very good agreement with TEM observations.

  19. XPS analysis of nikki N111 catalyst pellets

    SciTech Connect

    Kelly, Dan

    2007-03-26

    X-ray photoelectron spectroscopy (XPS) was performed on several pellets of Nikki N111 catalyst to determine elemental composition. Of specific interest, the Nikki MSDS for this material cites a 20 wt. % contribution from the species "Others". XPS was employed to determine more precisely the chemical composition of the pellets and search for potential catalytic metal species not identified on the MSDS. Results are tabulated in Table 1 below. XPS analysis of the chemical composition of the catalyst pellets compares favorably to the N ikki MSDS, if the assumption is made that the nickel in the catalyst is oxidized to Ni2O3. Specifically, using a 100 g sample basis, the 49 grams of nickel metal specified in the MSDS would carry 20 grams of oxygen if it were oxidized to Ni2O3, potentially accounting for the 20 wt. %"Others". XPS was able to confirm the presence of copper and chromium in the pellets, each expected at less than 1 atomic percent and quantified at 1-3 atomic percent concentrations, but no metal species not identified by the MSDS were detected.

  20. 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.

  1. 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.

  2. Fullerene valence photoemission time delay near ionization cavity minima

    NASA Astrophysics Data System (ADS)

    Magrakvelidze, Maia; Anstine, Dylan; Dixit, Gopal; Madjet, Mohamed; Chakraborty, Himadri

    2015-05-01

    We investigate photoemission quantum phases and associated Wigner-Smith time delays for HOMO and HOMO-1 electrons of a C60 molecule using time-dependent local density approximation (TDLDA). The interference oscillations in C60 valence emissions produce series of minima whose energy separation depends on the molecular size. We show that the quantum phase associated with these minima exhibits rapid variations due to electron correlations, causing rich structures in the photoemission time delay. Besides fullerenes, the detection of photoemission minima in metal clusters suggests a possible universality of the phenomenon in cluster systems, or even quantum dots, that confine finite-sized electron gas. The work predicts a new research direction to apply attosecond metrology, such as RABITT, in the world of nanosystems. This work was supported by the U.S. National Science Foundation.

  3. 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.

  4. XPS Analysis of Ti6Al4V Oxidation Under UHV Conditions

    NASA Astrophysics Data System (ADS)

    Hierro-Oliva, M.; Gallardo-Moreno, A. M.; González-Martín, M. L.

    2014-12-01

    Oxidation of Ti6Al4V is studied by X-ray photoelectron spectroscopy (XPS). Oxide layer growth was monitored on the Ti6Al4V surface for 24 hours. The surface was previously etched with Ar+ ions under ultra-high vacuum conditions. XPS spectra show that TiO and Ti2O3, together with Al2O3, were the earliest oxides formed. Vanadium, despite being detected in its elementary form in the bulk, was not found in any of its oxidized states. TiO2, directly related to the good performance of Ti6Al4V for biomedical applications, did not contribute significantly to the passive layer at the beginning; nevertheless, it was identified after the oxidation process progressed to a more advanced stage. This behavior indicates that reoxidation of Ti6Al4V permits auto-healing of its passive layer, with the presence of TiO2, even in conditions of low oxygen availability.

  5. XPS Analysis of Ti6Al4V Oxidation Under UHV Conditions

    NASA Astrophysics Data System (ADS)

    Hierro-Oliva, M.; Gallardo-Moreno, A. M.; González-Martín, M. L.

    2014-09-01

    Oxidation of Ti6Al4V is studied by X-ray photoelectron spectroscopy (XPS). Oxide layer growth was monitored on the Ti6Al4V surface for 24 hours. The surface was previously etched with Ar+ ions under ultra-high vacuum conditions. XPS spectra show that TiO and Ti2O3, together with Al2O3, were the earliest oxides formed. Vanadium, despite being detected in its elementary form in the bulk, was not found in any of its oxidized states. TiO2, directly related to the good performance of Ti6Al4V for biomedical applications, did not contribute significantly to the passive layer at the beginning; nevertheless, it was identified after the oxidation process progressed to a more advanced stage. This behavior indicates that reoxidation of Ti6Al4V permits auto-healing of its passive layer, with the presence of TiO2, even in conditions of low oxygen availability.

  6. Resonant Shake-up Satellites in Photoemission at the Ga 3p Photothreshold in GaN

    SciTech Connect

    Plucinski,L.; Learmonth, T.; Colakerol, L.; Bernardis, S.; Zhang, Y.; Glans, P.; Smith, K.; Zakharov, A.; Grzegory, I.; et al.

    2005-01-01

    Photoemission spectra recorded near the Ga 3p photothreshold from GaN have been found to contain satellites of the main Ga 3d emission line. The intensity of these satellites resonate at this threshold, and are associated with a 3d{sup 8} state. The correlation energies and binding energies for the satellite multiplet have been measured for the satellite and related Auger transitions. The satellite multiplet contains additional constant binding energy features not observed in previous studies of other Ga compounds. The present results are compared with those for GaP and GaAs.

  7. 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}

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

    DOE PAGESBeta

    Dell'Angela, M.; Anniyev, T.; Beye, M.; Coffee, R.; Föhlisch, A.; Gladh, J.; Kaya, S.; Katayama, T.; Krupin, O.; Nilsson, A.; et al

    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.

  9. Special features in photoemission from the s-p bands of copper

    NASA Astrophysics Data System (ADS)

    Durham, Paul; Kar, Nikhilesh

    1981-10-01

    Angle-resolved photoemission (ARPES) studies of the (100) face of clean copper using He I radiation reveal two distinct peaks with binding energies between 0 and 2 eV. These peaks have the opposite dispersion with emission angle and have very different widths, one peak in particular being unusually sharp. We show that both of these peaks are associated with the upper part of the s-p band and that their behaviour can be qualitatively explained by an examination of the bulk band structure for finite values of k∥ away from the Δ-symmetry direction. We also show that rather good quantitative agreement with the experimental spectra can be obtained by performing realistic photocurrent calculations which include a proper treatment of the surface electronic structure, matrix elements and lifetime effects. Finally, the significance of a sharp peak arising from the s-p band for ARPES studies of random alloys and chemisorption systems is briefly discussed.

  10. Special features in photoemission from the s-p bands of copper

    NASA Astrophysics Data System (ADS)

    Durham, Paul; Kar, Nikhilesh

    Angle-resolved photoemission (ARPES) studies of the (100) face of clean copper using He I radiation reveal two distinct peaks with binding energies between 0 and 2 eV. These peaks have the opposite dispersion with emission angle and have very different widths, one peak in particular being unusually sharp. We show that both of these peaks are associated with the upper part of the s-p band and that their behaviour can be qualitatively explained by an examination of the bulk band structure for finite values of k∥ away from the Δ-symmetry direction. We also show that rather good quantitative agreement with the experimental spectra can be obtained by performing realistic photocurrent calculations which include a proper treatment of the surface electronic structure, matrix elements and lifetime effects. Finally, the significance of a sharp peak arising from the s-p band for ARPES studies of random alloys and chemisorption systems is briefly discussed.

  11. 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) .

  12. XPS and XRF depth patina profiles of ancient silver coins

    NASA Astrophysics Data System (ADS)

    Caridi, F.; Torrisi, L.; Cutroneo, M.; Barreca, F.; Gentile, C.; Serafino, T.; Castrizio, D.

    2013-05-01

    Ancient silver coins of different historical periods going from IV cent. B.C. up to recent XIX century, coming from different Mediterranean countries have been investigated with different surface physical analyses. X-ray photoelectron spectroscopy (XPS) analysis has been performed by using electron emission induced by 1.4 keV X-rays. X-ray fluorescence (XRF) analysis has been devoted by using 30 keV electron beam. Scanning electron microscopy (SEM) has been employed to analyze the surface morphology and the X-ray map distribution by using a 30 keV microbeam. Techniques were used to investigate about the patina composition and trace elements as a function of the sample depth obtained coupling XPS to 3 keV argon ion sputtering technique.

  13. 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.

  14. XPS and IGC characterization of steam treated triticale straw

    NASA Astrophysics Data System (ADS)

    Zhao, Liyan; Boluk, Yaman

    2010-10-01

    The surface chemical composition and surface energy of native and steam treated triticale straws have been investigated by X-ray photoelectron spectroscopy (XPS) and inverse gas chromatography (IGC) to reveal the effect of steam treatment temperature and time. The XPS results show that the contents of C elements and C-C group on the exterior surface of native triticale straw are much higher than those on the interior surface, indicating that there was a high quantity of wax on the exterior surface of the native triticale straw. Upon steam treatment, both carbon levels and C-C groups reduce with increasing steam temperature and treatment time of the exterior surfaces. However, the effect of steam treatment on the interior surface is very limited. In terms of the surface acid and base properties, the steam treated samples exhibited higher acid and base properties than the native sample, indicating a more polar surface of the steam treated sample.

  15. Standard Test Data and Peak Fitting for XPS Measurements

    National Institute of Standards and Technology Data Gateway

    Standard Test Data and Peak Fitting for XPS Measurements (Web, free access)   This web site provides an extensive set of simulated photoelectron spectroscopy data for users to test software for determining the positions and intensities of overlapping peaks. Users download the data, perform their analyses, and then upload their results. A Java program evaluates the results and provides a graphical presentation of the errors in the user's analyses.

  16. XPS characterization of the surface immobilization of antibacterial furanones

    NASA Astrophysics Data System (ADS)

    Al-Bataineh, Sameer A.; Britcher, Leanne G.; Griesser, Hans J.

    2006-02-01

    Brominated furanones have attracted recent interest as antibacterial compounds. To utilize them as protective coatings in biomedical device applications, they must be covalently immobilized onto solid surfaces; however, interfacial coupling protocols developed for other biomolecules are not applicable to furanones. An azide reaction scheme has enabled covalent immobilization onto fluorinated ethylene propylene copolymer but its chemistry is less predictable, requiring detailed characterization by XPS and tapping mode AFM after each step of the immobilization sequence. XPS curve fitting resolved components in the C 1s, N 1s and Br 3d regions. Angle dependent XPS was used to assess the depth distributions and layer thicknesses. The results indicated successful covalent immobilization of furanones; however, side reactions occurred. In addition to the expected C sbnd Br, a contribution from bromine ion (Br -) was detected, indicating that photo-degradation of furanones took place during UV illumination, and this reaction was found to increase with illumination time. The Br - was removed by washing with water, whereas the C sbnd Br signal from immobilized furanone remained. Spectroscopic characterization will assist in elucidating the structure of furanone coatings, understanding their mode of action when covalently immobilized on surfaces, and rationally designing and optimizing an effective antibacterial coating for biomedical applications.

  17. XPS quantification of the hetero-junction interface energy

    NASA Astrophysics Data System (ADS)

    Ma, Z. S.; Wang, Yan; Huang, Y. L.; Zhou, Z. F.; Zhou, Y. C.; Zheng, Weitao; Sun, Chang Q.

    2013-01-01

    We present an approach for quantifying the heterogeneous interface bond energy using X-ray photoelectron spectroscopy (XPS). Firstly, from analyzing the XPS core-level shift of the elemental surfaces we obtained the energy levels of an isolated atom and their bulk shifts of the constituent elements for reference; then we measured the energy shifts of the specific energy levels upon interface alloy formation. Subtracting the referential spectrum from that collected from the alloy, we can distil the interface effect on the binding energy. Calibrated based on the energy levels and their bulk shifts derived from elemental surfaces, we can derive the bond energy, energy density, atomic cohesive energy, and free energy at the interface region. This approach has enabled us to clarify the dominance of quantum entrapment at CuPd interface and the dominance of polarization at AgPd and BeW interfaces, as the origin of interface energy change. Developed approach not only enhances the power of XPS but also enables the quantification of the interface energy at the atomic scale that has been an issue of long challenge.

  18. 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.

  19. Photoemission Spectroscopic Study of Cesium Telluride Thin Film Photocathode

    SciTech Connect

    Sugiyama, Harue; Ogawa, Koji; Azuma, Junpei; Takahashi, Kazutoshi; Kamada, Masao

    2009-08-04

    The photoemission spectroscopy using synchrotron radiation has been carried out to study the high quantum efficiency and long working lifetime of cesium telluride (Cs{sub x}Te{sub y}) thin film photocathode. The electron affinity derived from the observed energy-distribution curves provides an important hint for long persistency of the photocathode.

  20. 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.

  1. Magneto-optical and photoemission studies of ultrathin wedges

    SciTech Connect

    Bader, S.D.; Li, Dongqi

    1995-12-01

    Magnetic phase transitions of Fe wedges grown epitaxially on Cu(100) are detected via the surface magneto-optical Kerr effect and used to construct a phase diagram for face centered Fe. Also, the confinement of Cu sp- and d-quantum-well states is studied for Cu/Co(wedge)/Cu(100) utilizing undulator-based photoemission experiments.

  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. 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.

  4. Chemical characterization of soot particles emitted by Wood-Burning Cook Stoves: A XPS and HRTEM study

    NASA Astrophysics Data System (ADS)

    Carabali, Giovanni; Peralta, Oscar; Castro, Telma; Torres, Ricardo; Ruiz, Gerardo; Molina, Luisa; Saavedra, Isabel

    2014-05-01

    The morphology, microstructure, chemical composition, and electronic structure of soot particles emitted directly from biofuel cook stoves have been studied by high resolution transmission electron microscopy (HRTEM) and X-ray photoelectron spectroscopy (XPS). In order to obtain freshly emitted soot particles, 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 chain. Additionally, the morphology of soot particles was analyzed calculating the border-based fractal dimension (Df). Particles sampled on the first heating stage exhibit complex shapes with high values of Df, which are present as aggregates formed by carbon ceno-spheres. The XPS survey spectrum for soot particles shows that the main particle composition is carbon. We also observed differences in the carbon/oxygen (C/O) ratio of the particles, which probably depends on the combustion process efficiency of each cook-stove analyzed. The XPS C-1s spectra show carbon with two peaks that correspond to sp2 and sp3 hybridization. Also, real-time absorption (βa) and scattering (αs) coefficients of the particles emitted by cook stoves were measured. The trend in βa and αs 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.

  5. 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.

  6. XPS and STM study of SiC synthesized by acetylene and disilane reaction with the Si(1 0 0)2 × 1 surface

    NASA Astrophysics Data System (ADS)

    Santoni, A.; Frycek, R.; Castrucci, P.; Scarselli, M.; De Crescenzi, M.

    2005-05-01

    The SiC formation on a ordered Si(1 0 0) substrate at low temperatures (980-1180 K) and low total pressures (10 -6 mbar) has been investigated by in situ X-ray photoemission spectroscopy (XPS) and ex situ scanning tunneling microscopy (STM). SiC was grown by chemical vapor deposition (CVD) from C 2H 2 and Si 2H 6 as the precursor gases. At all the temperatures and in presence of both C 2H 2 and Si 2H 6 XPS data showed the formation of sub-stoichiometric Si 1- xC x alloys characterized by excess silicon. By exposing to C 2H 2 only, stoichiometric SiC could be synthesized up to 1080 K. At 1180 K the formation of a Si 1- xC x alloy was observed. STM analysis has pointed out the role of silicon from the gas phase in the growth mechanisms and it has shown that uniform films with low roughness and small nanostructures can be obtained by tuning the acetylene/disilane ratios independently from the temperature selected in the investigated range.

  7. 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.

  8. Photoemission spectroscopy of planar and nanostructured surfaces

    NASA Astrophysics Data System (ADS)

    Gervasoni, J. L.

    2016-02-01

    In this paper, I present some results for the process of excitation of bulk and surface plasmons during the emission of electrons in the proximity of surfaces of different shapes and dimensions. I describe in detail the effects due to the interaction between an electron and a stationary positive ion (or atomic hole) in the neighborhood of a metallic surface, paying special attention to the results obtained by my research group. We used the dielectric response of the metal and the specular reflection model for the case of planar surfaces, and the second quantization theory for nanostructured surfaces. In particular, we studied how the electron-hole pair interaction can influence the energy loss of the emerging electron. We investigated the importance of surface effects in the analysis of photoelectron spectroscopy. The method described here is useful for studying multiple plasmon excitations in nanostructures and for understanding the excited electron spectra of these nanostructures (different from those of the same bulk material).

  9. 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

  10. XPS investigation of DNA binding to zirconium-phosphonate surfaces.

    PubMed

    Lane, Sarah M; Monot, Julien; Petit, Marc; Bujoli, Bruno; Talham, Daniel R

    2007-07-01

    The surface coverage of phosphorylated oligonucleotides immobilized on a zirconium-phosphonate surface was analyzed using X-ray photoelectron spectroscopy (XPS). By quantifying the intensity of the N 1s signal originating from the oligonucleotide and the Zr 3d peak from the metal-phosphonate surface, the surface coverage of the oligonucleotide could be calculated with a modified substrate-overlayer model. We found relatively low surface coverages indicating that once covalently bound via the terminal phosphate the polymer chain further physisorbs to the surface limiting the adsorption of additional molecules. PMID:17275268

  11. 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.

  12. 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.

  13. High resolution photoemission study of CdSe and CdSe/ZnS core-shell nanocrystals

    NASA Astrophysics Data System (ADS)

    Borchert, H.; Talapin, D. V.; McGinley, C.; Adam, S.; Lobo, A.; de Castro, A. R. B.; Möller, T.; Weller, H.

    2003-07-01

    Colloidally prepared CdSe and CdSe/ZnS core-shell nanocrystals passivated with trioctylphosphine/trioctylphosphine oxide and hexadecylamine have been studied by photoelectron spectroscopy with tuneable synchrotron radiation. High-resolution spectra of the Se 3d level in CdSe nanocrystals indicate the bonding of organic ligands not only to surface Cd but also to surface Se atoms. The investigation of the CdSe/ZnS core-shell nanocrystals allows us to determine the average thickness of the ZnS shell and to study the interface between the two semiconductor nanomaterials. The photoemission spectra indicate a rather well ordered interface. No evidence for interfacial bonds other than Cd-S and Se-Zn is found.

  14. Soft X-ray photoemission study of Co2(Cr1-xFex)Ga Heusler compounds

    NASA Astrophysics Data System (ADS)

    Tsunekawa, Masanori; Hattori, Yoshiro; Sekiyama, Akira; Fujiwara, Hidenori; Suga, Shigemasa; Muro, Takayuki; Kanomata, Takeshi; Imada, Shin

    2015-08-01

    We have performed soft X-ray photoemission spectroscopy (SXPES) and X-ray absorption spectroscopy (XAS) of the Co-based Heusler compounds Co2(Cr1-xFex)Ga (x = 0.0, 0.4, and 1.0) in order to study their electronic structures. Band-structure calculation was carried out and compared with the experimental results. SXPES spectra show hν-dependence, revealing the contributions of the Co, Cr, and Fe 3d electronic states in the valence band. The band width observed by the SXPES seems to be narrower than that predicted by the band-structure calculation. XAS spectra depend strongly on the the value of x in Co2(Cr1-xFex)Ga. The electron correlation effects are found to be stronger as x changes from 0.0 to 1.0.

  15. Characterization of induced nanoplasmonic fields in time-resolved photoemission from gold nanospheres: a classical trajectory approach

    NASA Astrophysics Data System (ADS)

    Saydanzad, Erfan; Thumm, Uwe

    2016-05-01

    Attosecond time-resolved (XUV-pump, IR-probe) spectroscopy has been shown to be a powerful method for investigating the electron dynamics in atoms, and this technique is now being transferred to the investigation of electronic excitations, electron propagation, and collective electronic (plasmonic) effects in solids. Based on classical trajectory calculations, we simulated (i) the final photoelectron velocity distribution in order to provide observable velocity-map images for gold nanospheres of 10 and 100 nm diameter and (ii) streaked photoemission spectra. By analyzing our numerical results, we illustrate how spatio-temporal information about the sub-IR-cycle plasmonic and electronic dynamics is encoded in velocity-map images and streaked photoelectron spectra. Supported by the NE/KS NSF-EPSCOR program.

  16. Effects of X-ray flux on UHMWPE by an XPS Spectrometer

    NASA Astrophysics Data System (ADS)

    Buncick, M. C.; Thomas, D. E.; McKinny, K. S.; Jahan, M. S.

    1997-03-01

    For the last 25 years, Electron Spectroscopy for Chemical Analysis (ESCA) also known as X-ray Photoelectron Spectroscopy (XPS) has been used extensively for the study of polymers. ESCA provides chemical composition, structural data such as polymeric linking, fine structure detail such as endgroup type or branching sites, charge distribution and the nature of valence bonding. While a few studies have shown that certain polymers are damaged by the x-ray flux during measurements, ESCA is considered to be a technique that is relatively free from radiation induced changes in the polymers under study.( D. Briggs and M.P. Seah, Practical Surface Analysis by Auger and X-ray Photoelectron Spectroscopy, John Wiley, NewYork, NY, Chap. 9, (1983). D.R. Wheeler and S.V. Pepper, J. Vac. Sci. Technol., 20 , pp.226-232 (1982).) We present complementary measurements by ESCA and electron spin resonance (ESR) on ultra-high molecular weight polyethylene (UHMWPE). We show that ESCA induces primary free radicals in UHMWPE even for relatively short exposures to the x-ray source for both standard and monochromatic x-ray sources. High resolution core-level spectra do not show any difference between free radical rich and virgin UHMWPE. However, the valence band spectra do show changes after exposure to x-ray flux in ESCA.

  17. X-ray photoemission analysis and electrical contact properties of NF3 plasma cleaned Si surfaces

    NASA Astrophysics Data System (ADS)

    Delfino, M.; Chung, B.-C.; Tsai, W.; Salimian, S.; Favreau, D. P.; Merchant, S. M.

    1992-10-01

    The removal of native silicon oxide on <100≳ silicon with an electron cyclotron resonance (ECR) excited NF3 plasma is demonstrated. In situ x-ray photoemission spectroscopy verifies removal of the oxide and shows that a residue remains on the surface after exposure to the plasma. The residue is about 1.2 nm thick with the approximate formula Si6F8ON2 when analyzed with a uniform overlayer model. X-ray photoemission spectra of the residue show fluorine and oxygen in at least two different bonding states and a unique nitrogen having a diamagnetic bond. Chemical bonding in the residue is ascribed to Fx-Si, Fx-Si-O, Si-O-Si, and N2-O-Si species, where x=1, 2, and 3. A distinct high-energy peak is identified in the quasicore level F 2s transition that is attributed to a small amount of interstitial fluorine having diffused into the silicon lattice. The residue is stable at room temperature in both vacuum and under hydrogen, but when exposed to room ambient, it and the substrate appear to oxidize accounting for a loss of both fluorine and nitrogen. Heating the residue to 640 °C in vacuum causes a significant loss of fluorine and nitrogen also. A possible mechanism accounting for the formation of the residue is proposed assuming that there is a difference in the decay time of the atomic species in the plasma. The ECR cleaning process is integrated into a sputtered TiN/Ti metallization sequence to show the effect of in situ chemical and physical plasma cleaning methods on the electrical contact properties of devices with submicron dimensions and high-aspect ratios. The specific contact resistance of Ti to n+-polycrystalline Si and to TiSi2/n+-, p+-<100≳ Si is found comparable to that achieved with an ECR excited Ar plasma cleaning where a surface residue is not produced.

  18. Photoemission, low-dimensionality and high-temperature superconductivity

    SciTech Connect

    Margaritondo, G.

    1996-12-31

    Several experiments by different authors have established the existence of an anomalous photoemission effect in one-dimensional systems, including one-dimensional metallic crystals and other examples of one-dimensional metals. The effect consists of the suppression of the photoemission signal at energies close to the Fermi level--whereas for metals one would expect to see a Fermi edge. Increasing evidence exists, in the authors opinion, that this phenomenon is due to the decoupling of charge and spin coordinates and to a departure from the Fermi-liquid framework. If confirmed, this conclusion would be extremely relevant to high-temperature superconductivity, since it would pave the way to the use of a similar concept for non-Fermi-liquid theories of high-temperature superconductors.

  19. Generalized Franck-Condon principle for resonant photoemission

    NASA Astrophysics Data System (ADS)

    Sałek, Paweł; Gel'mukhanov, Faris; Ågren, Hans; Björneholm, Olle; Svensson, Svante

    1999-10-01

    A generalized Franck-Condon (GFC) principle for resonant x-ray Raman scattering and for resonant photoemission in particular is derived and numerically investigated. The GFC amplitudes differ from ordinary FC amplitudes by the presence of photon and photoelectron phase factors which describe the coupling-or interference-of the x-ray photons or Auger electrons with the nuclear motion. With the GFC amplitudes, a Kramers-Heisenberg relation is obtained for vibronic transitions that corrects the so-called lifetime-vibrational interference formula. For resonant photoemission in the soft-x-ray region involving typical bound potential surfaces, the generalization gives a contribution to the FC factors that can amount to 20%. For core excitation above the dissociation threshold, the GFC principle relates to Doppler effects on the ejected photoelectron both for the so-called ``molecular'' and ``atomic'' bands. The role of the GFC principle in direct photoionization is briefly discussed.

  20. XPS study of. beta. -carbon hydrogenation on Nickel(111) surface

    SciTech Connect

    Dost, A.A.; Dhanak, V.R.; Buckingham, S.

    1984-09-01

    The methanation reaction has been studied extensively using conventional catalysis and modern surface science techniques. It is now well established that the mechanism of this reaction involves the dissociative adsorption of carbon monoxide to produce highly reactive carbidic carbon (..cap alpha..-carbon) which is subsequently hydrogenated to produce methane. Under conditions of low hydrogen concentration, and high temperature, however, the reactive ..cap alpha..-C can be transformed into relatively less-reactive graphitic carbon (..beta..-carbon). The nature of ..beta..-carbon has been suggested to be graphitic as characterized by Auger electron spectroscopy (AES), X-ray photoelectron spectroscopy (XPS) and temperature programmed surface reaction (TPSR) in hydrogen. Using XPS, it is demonstrated directly that conversion of ..beta..-carbon to ..cap alpha..-carbon does occur at ..beta..-carbon hydrogenation temperature and that the rate-determining step in the hydrogenation of ..beta..-carbon may be the detachment of carbon atoms from ..beta..-carbon islands. 19 references, 6 figures.

  1. XPS, AES and SEM analysis of recent dental implants.

    PubMed

    Kang, Byung-Soo; Sul, Young-Taeg; Oh, Se-Jung; Lee, Hyun-Ju; Albrektsson, Tomas

    2009-07-01

    Today, surface chemistry modifications of titanium implants have become a development strategy for dental implants. The present study investigated the chemistry and morphology of commercially available dental implants (Nobel biocare TiUnite, Astra AB OsseoSpeed, 3i Osseotite, ITI-SLA). X-ray photoelectron spectroscopy (XPS) and auger electron spectroscopy were employed for the analysis of surface chemistry. The morphology was investigated by scanning electron microscopy. The present study demonstrated the major differences of surface properties, mainly dependent on the surface treatment used. The blasting and acid etching technique for the OsseoSpeed, Osseotite and SLA surfaces generally showed mainly TiO(2), but a varying surface morphology. In contrast, the electrochemical oxidation process for TiUnite implants not only produces microporous surface (pore size: 0.5-3.0microm), but also changes surface chemistry due to incorporation of anions of the used electrolyte. As a result, TiUnite implants contain more than 7at.% of P in oxide layer and higher amounts of hydroxides compared to the other implants in XPS analysis. F in OsseoSpeed implants was detected at 0.3% before as well as after sputter cleaning. PMID:19261554

  2. 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.

  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. Investigating crystalline-polarity-dependent electronic structures of GaN by hard x-ray photoemission and ab-initio calculations

    NASA Astrophysics Data System (ADS)

    Ohsawa, Takeo; Ueda, Shigenori; Suzuki, Motohiro; Tateyama, Yoshitaka; Williams, Jesse R.; Ohashi, Naoki

    2015-10-01

    Crystalline-polarity-dependent electronic structures of gallium nitride (GaN) were studied by photoemission spectroscopy (PES) using soft and hard x-rays with different linear polarizations. A peak located near the valence band (VB) maximum was enhanced for a (0001) surface compared with that for a ( 000 1 ¯ ) surface regardless of photon energy. Comparison of the VB density of states obtained by ab-initio calculations with the observed VB-PES spectra indicates that the crystalline-polarity dependence is associated with the Ga 4p and N 2p states. The most plausible origin of the crystalline-polarity-dependent VB feature is based on the photoemission phenomena of electrons in the pz-orbitals due to spontaneous electric polarization along the c-axis of GaN.

  5. 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.

  6. 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.

  7. Visualizing the chiral anomaly in Dirac and Weyl semimetals with photoemission spectroscopy

    NASA Astrophysics Data System (ADS)

    Behrends, Jan; Grushin, Adolfo G.; Ojanen, Teemu; Bardarson, Jens H.

    2016-02-01

    Quantum anomalies are the breaking of a classical symmetry by quantum fluctuations. They dictate how physical systems of diverse nature, ranging from fundamental particles to crystalline materials, respond topologically to external perturbations, insensitive to local details. The anomaly paradigm was triggered by the discovery of the chiral anomaly that contributes to the decay of pions into photons and influences the motion of superfluid vortices in 3He-A. In the solid state, it also fundamentally affects the properties of topological Weyl and Dirac semimetals, recently realized experimentally. In this work we propose that the most identifying consequence of the chiral anomaly, the charge density imbalance between fermions of different chirality induced by nonorthogonal electric and magnetic fields, can be directly observed in these materials with the existing technology of photoemission spectroscopy. With angle resolution, the chiral anomaly is identified by a characteristic note-shaped pattern of the emission spectra, originating from the imbalanced occupation of the bulk states and a previously unreported momentum dependent energy shift of the surface state Fermi arcs. We further demonstrate that the chiral anomaly likewise leaves an imprint in angle averaged emission spectra, facilitating its experimental detection. Thereby, our work provides essential theoretical input to foster the direct visualization of the chiral anomaly in condensed matter, in contrast to transport properties, such as negative magnetoresistance, which can also be obtained in the absence of a chiral anomaly.

  8. XPS study on La0.67Ca0.33Mn1-xCoxO3 compounds

    NASA Astrophysics Data System (ADS)

    Dudric, R.; Vladescu, A.; Rednic, V.; Neumann, M.; Deac, I. G.; Tetean, R.

    2014-09-01

    The electronic structure of the polycrystalline La0.67Ca0.33Mn1-xCoxO3 compounds with x = 0.5, 0.6, 0.7, 0.8, 0.9 and 1 has been investigated by X-ray photoelectron spectroscopy (XPS). The valence band and the transition metal core level spectra were analyzed. Several contributions from the Mn 3d, Co 3d and of extensively hybridized Mn3d-O2p and Co3d-O2p states were found in the spectral region between 2 eV and 5 eV. The core level spectra show the presence of Co4+ and Co2+ states.

  9. 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.

  10. 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.