WorldWideScience

Sample records for valence photoelectron spectroscopy

  1. Photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Shirley, D.A.

    1976-01-01

    Research activities in photoelectron spectroscopy at Lawrence Radiation Laboratory during 1976 are described. Topics covered include: the orientation of CO on Pt(III) and Ni(III) surfaces from angle-resolved photoemission; photoemission from CO on Pt(III) in the range 40 eV less than or equal to dirac constant ω less than or equal to 150 eV; photoemission studies of electron states at clean surfaces using synchrotron radiation; angle and energy dependent photoemission studies of plasmon loss structure in Al and In; d-orbital directed photoemission from copper; interpretation of angle-resolved x-ray photoemission from valence bands; atomic cross-section effects in soft x-ray photoemission from Ag, Au, and Pt valence bands; x-ray photoelectron spectroscopic studies of the electronic structure of transition metal difluorides; x-ray photoemission investigation of the density of states of B'-NiAl; the electronic structure of SrTiO 3 and some simple related oxides; fluorescence lifetime measurements of np 5 (n+1)S' states in krypton and xenon; Zeeman beats in the resonance fluorescence of the 3P 1 , states in krypton and xenon; lifetime measurements of rare-gas dimers; configuration interaction effects in the atomic photoelectron spectra of Ba, Sm, Eu, and Yb; glow discharge lamps as electron sources for electron impact excitation; electron impact excitation of electron correlation states in Ca, Sr, and Ba; photoelectron spectroscopy of atomic and molecular bismuth; relativistic effects in the uv photoelectron spectra of group VI diatomic molecules; and relative gas-phase acidities and basicities from a proton potential model

  2. Classical ultraviolet photoelectron spectroscopy of polymers

    International Nuclear Information System (INIS)

    Salaneck, W.R.

    2009-01-01

    Although X-ray photoelectron spectroscopy of polymers was well established by Clark and coworkers in the 1970s, ultraviolet photoelectron spectroscopy of polymer films, was developed later. Previous to the 1970s, the first attempts to use ultraviolet light on polymer films took the form of appearance potential (valence band edge) measurements. Only some years later could the full valence band region of thin polymer films, including insulating polymers, semiconducting polymers and electrically conducting polymers. The development of what might be termed 'classical ultraviolet photoelectron spectroscopy' of polymer films may be loosely based upon a variety of issues, including adapting thin polymer film technology to ultra high vacuum studies, the widespread use of helium resonance lamps for studies of solid surfaces, the combined advent of practical and sufficient theoretical-computational methods. The advent of, and the use of, easily available synchrotron radiation for multi-photon spectroscopies, nominally in the area of the near UV, is not included in the term 'classical'. At the same time, electrically conducting polymers were discovered, leading to applications of the corresponding semiconducting polymers, which added technologically driven emphasis to this development of ultraviolet photoelectron spectroscopy for polymer materials. This paper traces a limited number of highlights in the evolution of ultraviolet photoelectron spectroscopy of polymers, from the 1970s through to 2008. Also, since this issue is dedicated to Prof. Kazuhiko Seki, who has been a friend and competitor for over two decades, the author relies on some of Prof. Seki's earlier research, unpublished, on who-did-what-first. Prof. Seki's own contributions to the field, however, are discussed in other articles in this issue.

  3. Valence band offset of wurtzite InN/SrTiO3 heterojunction measured by x-ray photoelectron spectroscopy

    Directory of Open Access Journals (Sweden)

    Li Zhiwei

    2011-01-01

    Full Text Available Abstract The valence band offset (VBO of wurtzite indium nitride/strontium titanate (InN/SrTiO3 heterojunction has been directly measured by x-ray photoelectron spectroscopy. The VBO is determined to be 1.26 ± 0.23 eV and the conduction band offset is deduced to be 1.30 ± 0.23 eV, indicating the heterojunction has a type-I band alignment. The accurate determination of the valence and conduction band offsets paves a way to the applications of integrating InN with the functional oxide SrTiO3.

  4. Valence band offset of β-Ga2O3/wurtzite GaN heterostructure measured by X-ray photoelectron spectroscopy.

    Science.gov (United States)

    Wei, Wei; Qin, Zhixin; Fan, Shunfei; Li, Zhiwei; Shi, Kai; Zhu, Qinsheng; Zhang, Guoyi

    2012-10-10

    A sample of the β-Ga2O3/wurtzite GaN heterostructure has been grown by dry thermal oxidation of GaN on a sapphire substrate. X-ray diffraction measurements show that the β-Ga2O3 layer was formed epitaxially on GaN. The valence band offset of the β-Ga2O3/wurtzite GaN heterostructure is measured by X-ray photoelectron spectroscopy. It is demonstrated that the valence band of the β-Ga2O3/GaN structure is 1.40 ± 0.08 eV.

  5. Photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Bosch, A.

    1982-01-01

    In this work examples of the various aspects of photoelectron spectroscopy are given. The investigation was started with the development of an angle-resolved spectrometer so that the first chapters deal with angle-resolved ultra-violet photoelectron spectroscopy. To indicate the possibilities and pitfalls of the technique, in chapter II the theory is briefly reviewed. In chapter III the instrument is described. The system is based on the cylindrical mirror deflection analyzer, which is modified and improved for angle-resolved photoelectron spectroscopy. In combination with a position sensitive detector, a spectrometer is developed with which simultaneously several angle-resolved spectra can be recorded. In chapter IV, the results are reported of angle-integrated UPS experiments on dilute alloys. Using the improved energy resolution of the instrument the author was able to study the impurity states more accurately and shows that the photoemission technique has become an important tool in the study of impurities and the interactions involved. XPS and Auger results obtained from dilute alloys are presented in chapter V. It is shown that these systems are especially suited for the study of correlation effects and can provide interesting problems related to the satellite structure and the interaction of the impurity with the host. In chapter VI, the valence bands of ternary alloys are studied with UPS and compared to recent band structure calculation. The core level shifts are analyzed in a simple, thermodynamic scheme. (Auth.)

  6. X-ray and photoelectron spectroscopy of light rare earths

    International Nuclear Information System (INIS)

    Fuggle, J.C.

    1983-01-01

    Core level photoelectron spectroscopy, X-ray absorption spectroscopy, bremsstrahlung isochromat spectroscopy and valence band studies are discussed. Particular emphasis is placed on cerium. Correlation effects, multiplet structure, screening effects and the dynamics of the processes involved are illustrated with selected examples. (Auth.)

  7. Photoelectron spectroscopy and the dipole approximation

    Energy Technology Data Exchange (ETDEWEB)

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

    1997-04-01

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

  8. Determination of the impact of Bi content on the valence band energy of GaAsBi using x-ray photoelectron spectroscopy

    Directory of Open Access Journals (Sweden)

    K. Collar

    2017-07-01

    Full Text Available We investigate the change of the valence band energy of GaAs1-xBix (0photoelectron spectroscopy (XPS. The change in the valence band energy per addition of 1 % Bi is determined for strained and unstrained thin films using a linear approximation applicable to the dilute regime. Spectroscopic ellipsometry (SE was used as a complementary technique to determine the change in GaAsBi bandgap resulting from Bi addition. Analysis of SE and XPS data together supports the conclusion that ∼75% of the reduction in the bandgap is in the valence band for a compressively strained, dilute GaAsBi thin film at room temperature.

  9. Valence photoelectron spectrum of KBr: Effects of electron correlation

    International Nuclear Information System (INIS)

    Calo, A.; Huttula, M.; Patanen, M.; Aksela, H.; Aksela, S.

    2008-01-01

    The valence photoelectron spectrum has been measured for molecular KBr. Experimental energies of the main and satellite structures have been compared with the results of ab initio calculations based on molecular orbital theory including configuration and multiconfiguration interaction approaches. Comparison between the experimental KBr spectrum and previously reported Kr valence photoelectron spectrum has also been performed in order to find out if electron correlation is of the same importance in the valence ionized state of KBr as in the corresponding state of Kr

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

    International Nuclear Information System (INIS)

    Kowalczyk, S.P.

    1976-01-01

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

  11. Photoelectron spectroscopy an introduction to ultraviolet photoelectron spectroscopy in the gas phase

    CERN Document Server

    Eland, J H D

    2013-01-01

    Photoelectron Spectroscopy: An Introduction to Ultraviolet Photoelectronspectroscopy in the Gas Phase, Second Edition Photoelectron Spectroscopy: An Introduction to Ultraviolet PhotoelectronSpectroscopy in the Gas Phase, Second Edition aims to give practical approach on the subject of photoelectron spectroscopy, as well as provide knowledge on the interpretation of the photoelectron spectrum. The book covers topics such as the principles and literature of photoelectron microscopy; the main features and analysis of photoelectron spectra; ionization techniques; and energies from the photoelectron spectra. Also covered in the book are topics suc as photoelectron band structure and the applications of photoelectron spectroscopy in chemistry. The text is recommended for students and practitioners of chemistry who would like to be familiarized with the concepts of photoelectron spectroscopy and its importance in the field.

  12. Electronic structure simulation of chromium aluminum oxynitride by discrete variational-Xα method and X-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Choi, Youngmin; Chang, Hyunju; Lee, Jae Do; Kim, Eunah; No, Kwangsoo

    2002-01-01

    We use a first-principles discrete variational (DV)-Xα method to investigate the electronic structure of chromium aluminum oxynitride. When nitrogen is substituted for oxygen in the Cr-Al-O system, the N2p level appears in the energy range between O2p and Cr3d levels. Consequently, the valence band of chromium aluminum oxynitride becomes broader and the band gap becomes smaller than that of chromium aluminum oxide, which is consistent with the photoelectron spectra for the valence band using X-ray photoelectron spectroscopy (XPS) and ultraviolet photoelectron spectroscopy (UPS). We expect that this valence band structure of chromium aluminum oxynitride will modify the transmittance slope which is a requirement for photomask application. (author)

  13. Photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Price, W.C.

    1974-01-01

    A survey is given of the development of x-ray and ultraviolet photoelectron spectroscopy. Applications of photoelectron spectroscopy to studies of atomic electronic configurations are discussed, including photoelectron spectra of hydrides isoelectronic with the inert gases; photoelectron spectra of the halogen derivatives of methane; photoelectron spectra of multiple bonded diatomic molecules; spectra and structure of some multiple bonded polyatomic molecules; spectra and structure of triatomic molecules; and methods of orbital assignment of bands in photoelectron spectra. Physical aspects are considered, including intensities; selection rules; dependence of cross section on photoelectron energy; autoionization; angular distribution of photoelectrons; electron-molecule interactions; and transient species. (26 figures, 54 references) (U.S.)

  14. Electronic structure simulation of chromium aluminum oxynitride by discrete variational-X{alpha} method and X-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Choi, Youngmin; Chang, Hyunju; Lee, Jae Do [Korea Research Inst. of Chemical Technology, Taejon (Korea); Kim, Eunah; No, Kwangsoo [Korea Advanced Inst. of Science and Technology, Taejon (Korea)

    2002-09-01

    We use a first-principles discrete variational (DV)-X{alpha} method to investigate the electronic structure of chromium aluminum oxynitride. When nitrogen is substituted for oxygen in the Cr-Al-O system, the N2p level appears in the energy range between O2p and Cr3d levels. Consequently, the valence band of chromium aluminum oxynitride becomes broader and the band gap becomes smaller than that of chromium aluminum oxide, which is consistent with the photoelectron spectra for the valence band using X-ray photoelectron spectroscopy (XPS) and ultraviolet photoelectron spectroscopy (UPS). We expect that this valence band structure of chromium aluminum oxynitride will modify the transmittance slope which is a requirement for photomask application. (author)

  15. Measurement of the valence band-offset in a PbSe/ZnO heterojunction by x-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Li Lin; Qiu Jijun; Weng Binbin; Yuan Zijian; Shi Zhisheng [School of Electrical and Computer Engineering, University of Oklahoma, Norman, Oklahoma 73019 (United States); Li Xiaomin; Gan Xiaoyan [State Key Laboratory of High Performance Ceramics and Superfine Microstructures, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050 (China); Sellers, Ian R. [Deparment of Physics, University of Oklahoma, Norman, Oklahoma 73019 (United States)

    2012-12-24

    A heterojunction of PbSe/ZnO has been grown by molecular beam epitaxy. X-ray photoelectron spectroscopy was used to directly measure the valence-band offset (VBO) of the heterojunction. The VBO, {Delta}E{sub V}, was determined as 2.51 {+-} 0.05 eV using the Pb 4p{sup 3/2} and Zn 2p{sup 3/2} core levels as a reference. The conduction-band offset, {Delta}E{sub C}, was, therefore, determined to be 0.59 {+-} 0.05 eV based on the above {Delta}E{sub V} value. This analysis indicates that the PbSe/ZnO heterojunction forms a type I (Straddling Gap) heterostructure.

  16. High energy photoelectron spectroscopy in basic and applied science: Bulk and interface electronic structure

    Energy Technology Data Exchange (ETDEWEB)

    Knut, Ronny; Lindblad, Rebecka [Department of Physics and Astronomy, Uppsala University, SE-751 21 Uppsala (Sweden); Gorgoi, Mihaela [Helmholtz Zentrum Berlin für Materialien und Energie GmbH, Albert-Einstein-Str. 15, 12489 Berlin (Germany); Rensmo, Håkan [Department of Physics and Astronomy, Uppsala University, SE-751 21 Uppsala (Sweden); Karis, Olof, E-mail: olof.karis@physics.uu.se [Department of Physics and Astronomy, Uppsala University, SE-751 21 Uppsala (Sweden)

    2013-10-15

    Highlights: •We demonstrate how hard X-ray photoelectron spectroscopy can be used to investigate interface properties of multilayers. •By combining HAXPES and statistical methods we are able to provide quantitative analysis of the interface diffusion process. •We show how photoionization cross sections can be used to map partial density of states contributions to valence states. •We use HAXPES to provide insight into the valence electronic structure of e.g. multiferroics and dye-sensitized solar cells. -- Abstract: With the access of new high-performance electron spectrometers capable of analyzing electron energies up to the order of 10 keV, the interest for photoelectron spectroscopy has grown and many new applications of the technique in areas where electron spectroscopies were considered to have limited use have been demonstrated over the last few decades. The technique, often denoted hard X-ray photoelectron spectroscopy (HX-PES or HAXPES), to distinguish the experiment from X-ray photoelectron spectroscopy performed at lower energies, has resulted in an increasing interest in photoelectron spectroscopy in many areas. The much increased mean free path at higher kinetic energies, in combination with the elemental selectivity of the core level spectroscopies in general has led to this fact. It is thus now possible to investigate the electronic structure of materials with a substantially enhanced bulk sensitivity. In this review we provide examples from our own research using HAXPES which to date has been performed mainly at the HIKE facility at the KMC-1 beamline at HZB, Berlin. The review exemplifies the new opportunities using HAXPES to address both bulk and interface electronic properties in systems relevant for applications in magnetic storage, energy related research, but also in purely curiosity driven problems.

  17. High energy photoelectron spectroscopy in basic and applied science: Bulk and interface electronic structure

    International Nuclear Information System (INIS)

    Knut, Ronny; Lindblad, Rebecka; Gorgoi, Mihaela; Rensmo, Håkan; Karis, Olof

    2013-01-01

    Highlights: •We demonstrate how hard X-ray photoelectron spectroscopy can be used to investigate interface properties of multilayers. •By combining HAXPES and statistical methods we are able to provide quantitative analysis of the interface diffusion process. •We show how photoionization cross sections can be used to map partial density of states contributions to valence states. •We use HAXPES to provide insight into the valence electronic structure of e.g. multiferroics and dye-sensitized solar cells. -- Abstract: With the access of new high-performance electron spectrometers capable of analyzing electron energies up to the order of 10 keV, the interest for photoelectron spectroscopy has grown and many new applications of the technique in areas where electron spectroscopies were considered to have limited use have been demonstrated over the last few decades. The technique, often denoted hard X-ray photoelectron spectroscopy (HX-PES or HAXPES), to distinguish the experiment from X-ray photoelectron spectroscopy performed at lower energies, has resulted in an increasing interest in photoelectron spectroscopy in many areas. The much increased mean free path at higher kinetic energies, in combination with the elemental selectivity of the core level spectroscopies in general has led to this fact. It is thus now possible to investigate the electronic structure of materials with a substantially enhanced bulk sensitivity. In this review we provide examples from our own research using HAXPES which to date has been performed mainly at the HIKE facility at the KMC-1 beamline at HZB, Berlin. The review exemplifies the new opportunities using HAXPES to address both bulk and interface electronic properties in systems relevant for applications in magnetic storage, energy related research, but also in purely curiosity driven problems

  18. Valence change detection in memristive oxide based heterostructure cells by hard X-ray photoelectron emission spectroscopy

    Science.gov (United States)

    Kindsmüller, A.; Schmitz, C.; Wiemann, C.; Skaja, K.; Wouters, D. J.; Waser, R.; Schneider, C. M.; Dittmann, R.

    2018-04-01

    The switching mechanism of valence change resistive memory devices is widely accepted to be an ionic movement of oxygen vacancies resulting in a valence change of the metal cations. However, direct experimental proofs of valence changes in memristive devices are scarce. In this work, we have employed hard X-ray photoelectron emission microscopy (PEEM) to probe local valence changes in Pt/ZrOx/Ta memristive devices. The use of hard X-ray radiation increases the information depth, thus providing chemical information from buried layers. By extracting X-ray photoelectron spectra from different locations in the PEEM images, we show that zirconia in the active device area is reduced compared to a neighbouring region, confirming the valence change in the ZrOx film during electroforming. Furthermore, we succeeded in measuring the Ta 4f spectrum for two different resistance states on the same device. In both states, as well as outside the device region, the Ta electrode is composed of different suboxides without any metallic contribution, hinting to the formation of TaOx during the deposition of the Ta thin film. We observed a reduction of the Ta oxidation state in the low resistance state with respect to the high resistive state. This observation is contradictory to the established model, as the internal redistribution of oxygen between ZrOx and the Ta electrode during switching would lead to an oxidation of the Ta layer in the low resistance state. Instead, we have to conclude that the Ta electrode takes an active part in the switching process in our devices and that oxygen is released and reincorporated in the ZrOx/TaOx bilayer during switching. This is confirmed by the degradation of the high resistance state during endurance measurements under vacuum.

  19. Angle-resolved photoelectron spectroscopy of formaldehyde and methanol

    Science.gov (United States)

    Keller, P. R.; Taylor, J. W.; Grimm, F. A.; Carlson, Thomas A.

    1984-10-01

    Angle-resolved photoelectron spectroscopy was employed to obtain the angular distribution parameter, β, for the valence orbitals (IP < 21.1 eV) of formaldehyde and methanol over the 10-30 eV photon energy range using dispersed polarized synchrotron radiation as the excitation source. It was found that the energy dependence of β in the photoelectron energy range between 2 and 10 eV can be related to the molecular-orbital type from which ionization occurs. This generalized energy behavior is discussed with regard to earlier energy-dependence studies on molecules of different orbital character. Evidence is presented for the presence of resonance photoionization phenomena in formaldehyde in agreement with theoretical cross-section calculations.

  20. Surface-site-selective study of valence electronic structures of clean Si(100)-2x1 using Si-L23VV Auger electron-Si-2p photoelectron coincidence spectroscopy

    International Nuclear Information System (INIS)

    Kakiuchi, Takuhiro; Nagaoka, Shinichi; Hashimoto, Shogo; Fujita, Narihiko; Tanaka, Masatoshi; Mase, Kazuhiko

    2010-01-01

    Valence electronic structures of a clean Si(100)-2x1 surface are investigated in a surface-site-selective way using Si-L 23 VV Auger electron-Si-2p photoelectron coincidence spectroscopy. The Si-L 23 VV Auger electron spectra measured in coincidence with Si-2p photoelectrons emitted from the Si up-atoms or Si 2nd-layer of Si(100)-2x1 suggest that the position where the highest density of valence electronic states located in the vicinity of the Si up-atoms is shifted by 0.8 eV towards lower binding energy relative to that in the vicinity of the Si 2nd-layer. Furthermore, the valence band maximum in the vicinity of the Si up-atoms is indicated to be shifted by 0.1 eV towards lower binding energy relative to that in the vicinity of the Si 2nd-layer. These results are direct evidence of the transfer of negative charge from the Si 2nd-layer to the Si up-atoms. (author)

  1. X-ray photoelectron spectroscopy study of β-BaB2O4 optical surface

    International Nuclear Information System (INIS)

    Atuchin, V.V.; Kesler, V.G.; Kokh, A.E.; Pokrovsky, L.D.

    2004-01-01

    An X-ray photoelectron spectroscopy (XPS) study has been performed for (0 0 1) BaB 2 O 4 . The crystal surface has been polished mechanically and cleaned by chemical etching. In XPS observation, depth profiling has been produced by sputtering with Ar + 3 keV ions. Photoelectron binding energies of original element core levels and valence band have been measured as a function of sputtering time. The persistence of binding energies of barium and boron core levels and valence band structure has been found. For O 1 s core level the formation of new spectral components with lower binding energies has been revealed

  2. Atomic and molecular photoelectron and Auger-electron-spectroscopy studies using synchrotron radiation

    International Nuclear Information System (INIS)

    Southworth, S.H.

    1982-01-01

    Electron spectroscopy, combined with synchrotron radiation, was used to measure the angular distributions of photoelectrons and Auger electrons from atoms and molecules as functions of photon energy. The branching ratios and partial cross sections were also measured in certain cases. By comparison with theoretical calculations, the experimental results are interpreted in terms of the characteristic electronic structure and ionization dynamics of the atomic or molecular sample. The time structure of the synchrotron radiation source was used to record time-of-flight (TOF) spectra of the ejected electrons. The double-angle-TOF method for the measurement of photoelectron angular distributions is discussed. This technique offers the advantages of increased electron collection efficiency and the elimination of certain systematic errors. An electron spectroscopy study of inner-shell photoexcitation and ionization of Xe, photoelectron angular distributions from H 2 and D 2 , and photoionization cross sections and photoelectron asymmetries of the valence orbitals of NO are reported

  3. Electronic properties and bonding in Zr Hx thin films investigated by valence-band x-ray photoelectron spectroscopy

    Science.gov (United States)

    Magnuson, Martin; Schmidt, Susann; Hultman, Lars; Högberg, Hans

    2017-11-01

    The electronic structure and chemical bonding in reactively magnetron sputtered Zr Hx (x =0.15 , 0.30, 1.16) thin films with oxygen content as low as 0.2 at.% are investigated by 4d valence band, shallow 4p core-level, and 3d core-level x-ray photoelectron spectroscopy. With increasing hydrogen content, we observe significant reduction of the 4d valence states close to the Fermi level as a result of redistribution of intensity toward the H 1s-Zr 4d hybridization region at ˜6 eV below the Fermi level. For low hydrogen content (x =0.15 , 0.30), the films consist of a superposition of hexagonal closest-packed metal (α phase) and understoichiometric δ -Zr Hx (Ca F2 -type structure) phases, while for x =1.16 , the films form single-phase Zr Hx that largely resembles that of stoichiometric δ -Zr H2 phase. We show that the cubic δ -Zr Hx phase is metastable as thin film up to x =1.16 , while for higher H contents the structure is predicted to be tetragonally distorted. For the investigated Zr H1.16 film, we find chemical shifts of 0.68 and 0.51 eV toward higher binding energies for the Zr 4 p3 /2 and 3 d5 /2 peak positions, respectively. Compared to the Zr metal binding energies of 27.26 and 178.87 eV, this signifies a charge transfer from Zr to H atoms. The change in the electronic structure, spectral line shapes, and chemical shifts as a function of hydrogen content is discussed in relation to the charge transfer from Zr to H that affects the conductivity by charge redistribution in the valence band.

  4. X-ray photoelectron spectroscopy study of {beta}-BaB{sub 2}O{sub 4} optical surface

    Energy Technology Data Exchange (ETDEWEB)

    Atuchin, V.V.; Kesler, V.G.; Kokh, A.E.; Pokrovsky, L.D

    2004-02-29

    An X-ray photoelectron spectroscopy (XPS) study has been performed for (0 0 1) BaB{sub 2}O{sub 4}. The crystal surface has been polished mechanically and cleaned by chemical etching. In XPS observation, depth profiling has been produced by sputtering with Ar{sup +} 3 keV ions. Photoelectron binding energies of original element core levels and valence band have been measured as a function of sputtering time. The persistence of binding energies of barium and boron core levels and valence band structure has been found. For O 1 s core level the formation of new spectral components with lower binding energies has been revealed.

  5. X-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Attekum, P.M.T.M. van.

    1979-01-01

    The methods and results of X-ray photoelectron spectroscopy in the study of plasmons, alloys and gold compounds are discussed. After a comprehensive introduction, seven papers by the author, previously published elsewhere, are reprinted and these cover a wide range of the uses of X-ray photoelectron spectroscopy. (W.D.L.)

  6. A study of the valence shell photoelectron and photoabsorption spectra of CF3SF5

    International Nuclear Information System (INIS)

    Holland, D M P; Shaw, D A; Walker, I C; McEwen, I J; Apra, E; Guest, M F

    2005-01-01

    The outer valence shell photoelectron spectrum of CF 3 SF 5 has been studied experimentally and theoretically. Synchrotron radiation has been used to record angle-resolved outer valence shell photoelectron spectra of CF 3 SF 5 in the photon energy range 18-60 eV. These spectra have allowed photoelectron asymmetry parameters and branching ratios to be derived. The Outer Valence Green's Function approach has been employed to calculate the molecular orbital configuration and associated binding energies. A charge distribution analysis has also been obtained. Assignments have been proposed for the peaks observed in the photoelectron spectrum. The absolute photoabsorption cross section of CF 3 SF 5 has been measured from threshold to 40 eV, and strongly resembles that of SF 6 . Assignments, involving intravalence transitions, have been proposed for some of the principal features appearing in the photoabsorption spectrum of CF 3 SF 5

  7. Photoelectron-Auger electron coincidence spectroscopy of free molecules: New experiments

    International Nuclear Information System (INIS)

    Ulrich, Volker; Barth, Silko; Lischke, Toralf; Joshi, Sanjeev; Arion, Tiberiu; Mucke, Melanie; Foerstel, Marko; Bradshaw, Alex M.; Hergenhahn, Uwe

    2011-01-01

    Photoelectron-Auger electron coincidence spectroscopy probes the dicationic states produced by Auger decay following the photoionization of core or inner valence levels in atoms, molecules or clusters. Moreover, the technique provides valuable insight into the dynamics of core hole decay. This paper serves the dual purpose of demonstrating the additional information obtained by this technique compared to Auger spectroscopy alone as well as of describing the new IPP/FHI apparatus at the BESSY II synchrotron radiation source. The distinguishing feature of the latter is the capability to record both the photoelectron and Auger electron with good energy and angle resolution, for which purpose a large hemispherical electrostatic analyser is combined with several linear time-of-flight spectrometers. New results are reported for the K-shell photoionization of oxygen (O 2 ) and the subsequent KVV Auger decay. Calculations in the literature for non-coincident O 2 Auger spectra are found to be in moderately good agreement with the new data.

  8. Threshold photoelectron spectroscopy and photoionization total ion yield spectroscopy of simple organic acids, aldehydes, ketones and amines

    International Nuclear Information System (INIS)

    Yencha, Andrew J; Malins, Andrew E R; Siggel-King, Michele R F; Eypper, Marie; King, George C

    2009-01-01

    We have initiated a research program to investigate the ionization behavior of some simple organic molecules containing the carboxyl group (R 2 C=O), where R could be H, OH, NH 2 , or CH 3 or other aliphatic or aromatic carbon groups, using threshold photoelectron spectroscopy and photoionization total ion yield spectroscopy. We report here on the simplest organic acid, formic acid, and two simple aldehydes: acetaldehyde and the simplest unsaturated aldehyde, 2-propenal (acrolein). The objective of this study was to characterize the valence cationic states of these molecules with vibrational structural resolution.

  9. A quantitative study of valence electron transfer in the skutterudite compound CoP3 by combining x-ray induced Auger and photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Diplas, S; Prytz, Oe; Karlsen, O B; Watts, J F; Taftoe, J

    2007-01-01

    We use the sum of the ionization and Auger energy, the so-called Auger parameter, measured from the x-ray photoelectron spectrum, to study the valence electron distribution in the skutterudite CoP 3 . The electron transfer between Co and P was estimated using models relating changes in Auger parameter values to charge transfer. It was found that each P atom gains 0.24 e - , and considering the unit formula CoP 3 this is equivalent to a donation of 0.72 e - per Co atom. This is in agreement with a recent electron energy-loss spectroscopy study, which indicates a charge transfer of 0.77 e - /atom from Co to P

  10. Accounting for many-body correlation effects in the calculation of the valence band photoelectron emission spectra of ferromagnets

    International Nuclear Information System (INIS)

    Minar, J.; Chadov, S.; Ebert, H.; Chioncel, L.; Lichtenstein, A.; De Nadai, C.; Brookes, N.B.

    2005-01-01

    The influence of dynamical correlation effects on the valence band photoelectron emission of ferromagnetic Fe, Co and Ni has been investigated. Angle-resolved as well as angle-integrated valence band photoelectron emission spectra were calculated on the basis of the one-particle Green's function, which was obtained by using the fully relativistic Korringa-Kohn-Rostoker method. The correlation effects have been included in terms of the electronic self-energy which was calculated self-consistently within Dynamical Mean-Field Theory (DMFT). In addition a theoretical approach to calculate high-energy angle-resolved valence band photoelectron emission spectra is presented

  11. Electronic structure of germanium selenide investigated using ultra-violet photo-electron spectroscopy

    Science.gov (United States)

    Mishra, P.; Lohani, H.; Kundu, A. K.; Patel, R.; Solanki, G. K.; Menon, Krishnakumar S. R.; Sekhar, B. R.

    2015-07-01

    The valence band electronic structure of GeSe single crystals has been investigated using angle resolved photoemission spectroscopy (ARPES) and x-ray photoelectron spectroscopy. The experimentally observed bands from ARPES, match qualitatively with our LDA-based band structure calculations along the Γ-Z, Γ-Y and Γ-T symmetry directions. The valence band maximum occurs nearly midway along the Γ-Z direction, at a binding energy of -0.5 eV, substantiating the indirect band gap of GeSe. Non-dispersive features associated with surface states and indirect transitions have been observed. The difference in hybridization of Se and Ge 4p orbitals leads to the variation of dispersion along the three symmetry directions. The predominance of the Se 4pz orbitals, evidenced from theoretical calculations, may be the cause for highly dispersive bands along the Γ-T direction. Detailed electronic structure analysis reveals the significance of the cation-anion 4p orbitals hybridization in the valence band dispersion of IV-VI semiconductors. This is the first comprehensive report of the electronic structure of a GeSe single crystal using ARPES in conjugation with theoretical band structure analysis.

  12. Electronic structure of germanium selenide investigated using ultra-violet photo-electron spectroscopy

    International Nuclear Information System (INIS)

    Mishra, P; Lohani, H; Sekhar, B R; Kundu, A K; Menon, Krishnakumar S R; Patel, R; Solanki, G K

    2015-01-01

    The valence band electronic structure of GeSe single crystals has been investigated using angle resolved photoemission spectroscopy (ARPES) and x-ray photoelectron spectroscopy. The experimentally observed bands from ARPES, match qualitatively with our LDA-based band structure calculations along the Γ–Z, Γ–Y and Γ–T symmetry directions. The valence band maximum occurs nearly midway along the Γ–Z direction, at a binding energy of −0.5 eV, substantiating the indirect band gap of GeSe. Non-dispersive features associated with surface states and indirect transitions have been observed. The difference in hybridization of Se and Ge 4p orbitals leads to the variation of dispersion along the three symmetry directions. The predominance of the Se 4p z orbitals, evidenced from theoretical calculations, may be the cause for highly dispersive bands along the Γ–T direction. Detailed electronic structure analysis reveals the significance of the cation–anion 4p orbitals hybridization in the valence band dispersion of IV–VI semiconductors. This is the first comprehensive report of the electronic structure of a GeSe single crystal using ARPES in conjugation with theoretical band structure analysis. (paper)

  13. Direct Visualization of Valence Electron Motion Using Strong-Field Photoelectron Holography

    Science.gov (United States)

    He, Mingrui; Li, Yang; Zhou, Yueming; Li, Min; Cao, Wei; Lu, Peixiang

    2018-03-01

    Watching the valence electron move in molecules on its intrinsic timescale has been one of the central goals of attosecond science and it requires measurements with subatomic spatial and attosecond temporal resolutions. The time-resolved photoelectron holography in strong-field tunneling ionization holds the promise to access this realm. However, it remains to be a challenging task hitherto. Here we reveal how the information of valence electron motion is encoded in the hologram of the photoelectron momentum distribution (PEMD) and develop a novel approach of retrieval. As a demonstration, applying it to the PEMDs obtained by solving the time-dependent Schrödinger equation for the prototypical molecule H2+ , the attosecond charge migration is directly visualized with picometer spatial and attosecond temporal resolutions. Our method represents a general approach for monitoring attosecond charge migration in more complex polyatomic and biological molecules, which is one of the central tasks in the newly emerging attosecond chemistry.

  14. Surface-site-selective study of valence electronic states of a clean Si(111)-7x7 surface using Si L23VV Auger electron and Si 2p photoelectron coincidence measurements

    International Nuclear Information System (INIS)

    Kakiuchi, Takuhiro; Tahara, Masashi; Nagaoka, Shin-ichi; Hashimoto, Shogo; Fujita, Narihiko; Tanaka, Masatoshi; Mase, Kazuhiko

    2011-01-01

    Valence electronic states of a clean Si(111)-7x7 surface are investigated in a surface-site-selective way using high-resolution coincidence measurements of Si pVV Auger electrons and Si 2p photoelectrons. The Si L 23 VV Auger electron spectra measured in coincidence with energy-selected Si 2p photoelectrons show that the valence band at the highest density of states in the vicinity of the rest atoms is shifted by ∼0.95 eV toward the Fermi level (E F ) relative to that in the vicinity of the pedestal atoms (atoms directly bonded to the adatoms). The valence-band maximum in the vicinity of the rest atoms, on the other hand, is shown to be shifted by ∼0.53 eV toward E F relative to that in the vicinity of the pedestal atoms. The Si 2p photoelectron spectra of Si(111)-7x7 measured in coincidence with energy-selected Si L 23 VV Auger electrons identify the topmost surface components, and suggest that the dimers and the rest atoms are negatively charged while the pedestal atoms are positively charged. Furthermore, the Si 2p-Si L 23 VV photoelectron Auger coincidence spectroscopy directly verifies that the adatom Si 2p component (usually denoted by C 3 ) is correlated with the surface state just below E F (usually denoted by S 1 ), as has been observed in previous angle-resolved photoelectron spectroscopy studies.

  15. Atomic contributions to the valence band photoelectron spectra of metal-free, iron and manganese phthalocyanines

    Energy Technology Data Exchange (ETDEWEB)

    Bidermane, I., E-mail: ieva.bidermane@physics.uu.se [Department of Physics and Astronomy, Uppsala University, Box-516, 75120 Uppsala (Sweden); Institut des Nanosciences de Paris, UPMC Univ. Paris 06, CNRS UMR 7588, F-75005 Paris (France); Brumboiu, I.E. [Department of Physics and Astronomy, Uppsala University, Box-516, 75120 Uppsala (Sweden); Totani, R. [Department of Physical and Chemical Sciences, University of L’Aquila, Via Vetoio, Coppito, I-67010 L’Aquila (Italy); Grazioli, C. [CNR-IOM, Laboratorio TASC, ss. 14 km. 163.5, Basovizza, 34149 Trieste (Italy); Departement of Chemical and Pharmaceutical Sciences, University of Trieste (Italy); Shariati-Nilsson, M.N.; Herper, H.C.; Eriksson, O.; Sanyal, B. [Department of Physics and Astronomy, Uppsala University, Box-516, 75120 Uppsala (Sweden); Ressel, B. [University of Nova Gorica, Vipavska Cesta 11c, 5270 Ajdovščina (Slovenia); Simone, M. de [CNR-IOM, Laboratorio TASC, ss. 14 km. 163.5, Basovizza, 34149 Trieste (Italy); Lozzi, L. [Department of Physical and Chemical Sciences, University of L’Aquila, Via Vetoio, Coppito, I-67010 L’Aquila (Italy); Brena, B.; Puglia, C. [Department of Physics and Astronomy, Uppsala University, Box-516, 75120 Uppsala (Sweden)

    2015-11-15

    Highlights: • In detail comparison between the valence band structure of H{sub 2}Pc, FePc and MnPc. • Comparison between the gas phase samples and thin evaporated films on Au (1 1 1). • Detailed analysis of the atomic orbital contributions to the valence band features. • DFT/HSE06 study of the valence band electronic structure of H{sub 2}Pc, FePc and MnPc. - Abstract: The present work reports a photoelectron spectroscopy study of the low-energy region of the valence band of metal-free phthalocyanine (H{sub 2}Pc) compared with those of iron phthalocyanine (FePc) and manganese phthalocyanine (MnPc). We have analysed in detail the atomic orbital composition of the valence band both experimentally, by making use of the variation in photoionization cross-sections with photon energy, and theoretically, by means of density functional theory. The atomic character of the Highest Occupied Molecular Orbital (HOMO), reflected on the outermost valence band binding energy region, is different for MnPc as compared to the other two molecules. The peaks related to the C 2p contributions, result in the HOMO for H{sub 2}Pc and FePc and in the HOMO-1 for MnPc as described by the theoretical predictions, in very good agreement with the experimental results. The DFT simulations, discerning the atomic contribution to the density of states, indicate how the central metal atom interacts with the C and N atoms of the molecule, giving rise to different partial and total density of states for these three Pc molecules.

  16. Photoelectron photoion molecular beam spectroscopy

    International Nuclear Information System (INIS)

    Trevor, D.J.

    1980-12-01

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

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

    International Nuclear Information System (INIS)

    Borgatti, F.; Torelli, P.; Panaccione, G.

    2016-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-04-15

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

  19. Photoion mass spectroscopy and valence photoionization of hypoxanthine, xanthine and caffeine

    Energy Technology Data Exchange (ETDEWEB)

    Feyer, Vitaliy, E-mail: vitaliy.feyer@elettra.trieste.it [Sincrotrone Trieste, in Area Science Park, I-34012 Basovizza (Trieste) (Italy); Plekan, Oksana [Sincrotrone Trieste, in Area Science Park, I-34012 Basovizza (Trieste) (Italy)] [Institute of Electron Physics, 21 Universitetska St., 88017 Uzhgorod (Ukraine); Richter, Robert [Sincrotrone Trieste, in Area Science Park, I-34012 Basovizza (Trieste) (Italy); Coreno, Marcello [CNR-IMIP, Area della Ricerca di Roma 1, CP10, I-00016 Monterotondo Scalo (Italy)] [CNR-Laboratorio Nazionale TASC-INFM, I-34012 Basovizza (Trieste) (Italy); Prince, Kevin C. [Sincrotrone Trieste, in Area Science Park, I-34012 Basovizza (Trieste) (Italy)] [CNR-Laboratorio Nazionale TASC-INFM, I-34012 Basovizza (Trieste) (Italy)

    2009-03-30

    Photoionization mass spectra of hypoxanthine, xanthine and caffeine were measured using the photoelectron-photoion coincidence technique and noble gas resonance radiation at energies from 8.4 to 21.2 eV for ionization. The fragmentation patterns for these compounds show that hydrogen cyanide is the main neutral loss species at higher photon energies, while photoionization below 16.67 eV led predominantly to the parent ion. The valence photoelectron spectra of this family of molecules were measured over an extended energy range, including the inner C, N and O 2s valence orbitals. The observed ion fragments were related to ionization of the valence orbitals.

  20. Time-resolved x-ray laser induced photoelectron spectroscopy of isochoric heated copper

    International Nuclear Information System (INIS)

    Nelson, A.J.; Dunn, J.; Hunter, J.; Widmann, K.

    2005-01-01

    Time-resolved x-ray photoelectron spectroscopy is used to probe the nonsteady-state evolution of the valence band electronic structure of laser heated ultrathin (50 nm) copper. A metastable phase is studied using a 527 nm wavelength 400 fs laser pulse containing 0.1-2.5 mJ laser energy focused in a large 500x700 μm 2 spot to create heated conditions of 0.07-1.8x10 12 W cm -2 intensity. Valence band photoemission spectra are presented showing the changing occupancy of the Cu 3d level with heating are presented. These picosecond x-ray laser induced time-resolved photoemission spectra of laser-heated ultrathin Cu foil show dynamic changes in the electronic structure. The ultrafast nature of this technique lends itself to true single-state measurements of shocked and heated materials

  1. Photoelectron spectroscopy of supersonic molecular beams

    International Nuclear Information System (INIS)

    Pollard, J.E.

    1982-05-01

    A new technique for performing high resolution molecular photoelectron spectroscopy is described, beginning with its conceptual development, through the construction of a prototypal apparatus, to the initial applications on a particularly favorable molecular system. The distinguishing features of this technique are: (1) the introduction of the sample in the form of a collimated supersonic molecular beam; and (2) the use of an electrostatic deflection energy analyzer which is carefully optimized in terms of sensitivity and resolution. This combination makes it possible to obtain photoelectron spectra at a new level of detail for many small molecules. Three experiments are described which rely on the capability to perform rotationally-resolved photoelectron spectroscopy on the hydrogen molecule and its isotopes. The first is a measurement of the ionic vibrational and rotational spectroscopic constants and the vibrationally-selected photoionization cross sections. The second is a determination of the photoelectron asymmetry parameter, β, for selected rotational transitions. The third is an investigation of the rotational relaxation in a free jet expansion, using photoelectron spectroscopy as a probe of the rotational state population distributions. In the closing chapter an assessment is made of the successes and limitations of the technique, and an indication is given of areas for further improvement in future spectrometers

  2. Bimolecular reaction dynamics from photoelectron spectroscopy of negative ions

    Energy Technology Data Exchange (ETDEWEB)

    Bradforth, S.E.

    1992-11-01

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

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

    International Nuclear Information System (INIS)

    Lynch, D.W.

    2004-01-01

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

  4. Transfer of chirality from adsorbed chiral molecules to the substrates highlighted by circular dichroism in angle-resolved valence photoelectron spectroscopy

    DEFF Research Database (Denmark)

    Contini, G.; Turchini, S.; Sanna, Simone

    2012-01-01

    Studies of self-assembled chiral molecules on achiral metallic surfaces have mostly focused on the determination of the geometry of adsorbates and their electronic structure. The aim of this paper is to provide direct information on the chirality character of the system and on the chirality...... transfer from molecules to substrate by means of circular dichroism in the angular distribution of valence photoelectrons for the extended domain of the chiral self-assembled molecular structure, formed by alaninol adsorbed on Cu(100). We show, by the dichroic behavior of a mixed molecule–copper valence...... state, that the presence of molecular chiral domains induces asymmetry in the interaction with the substrate and locally transfers the chiral character to the underlying metal atoms participating in the adsorption process; combined information related to the asymmetry of the initial electronic state...

  5. Reduction of Kondo lattice effects in Yb1-xLuxAl3 observed by soft x-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Yamaguchi, J; Sekiyama, A; Imada, S; Yamasaki, A; Tsunekawa, M; Muro, T; Ebihara, T; Onuki, Y; Suga, S

    2007-01-01

    We have carried out the bulk-sensitive and high-resolution soft x-ray photoelectron spectroscopy on Lu substituted intermediate-valence compound Yb 1-x Lu x Al 3 (x = 0.4) at temperatures from 200 to 20 K. The temperature dependences of the bulk Yb 4f photoelectron spectra revealed in our preceding works on high purity YbAl 3 have not been observed in this Lu substituted system. The temperature dependences of the bulk Yb 4f peak positions and the Yb valence in this system can be well reproduced by the single impurity Anderson model (SIAM), whereas the spectral behaviors in YbAl 3 were not at all reproduced by the SIAM. These results confirm the importance of the Kondo lattice effects for YbAl 3 , for which the coherent lattice periodicity plays essential roles

  6. Determination of 4f energy levels for trivalent lanthanide ions in YAlO{sub 3} by X-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Shimizu, Yuhei; Ueda, Kazushige, E-mail: kueda@che.kyutech.ac.jp

    2016-09-01

    A simple method to analyze 4f energy levels of trivalent lanthanide (Ln) ions was demonstrated by conventional X-ray photoelectron spectroscopy (XPS) measurements using Ln ions doped YAlO{sub 3} sintered polycrystalline samples. Although XPS peaks derived from Ln 4f states overlapped with the host's valence band consisting of O 2p states, the difference XPS spectra between Ln doped and non-doped samples showed only the Ln 4f peaks due to the large difference of photoionization cross sections between Ln 4f and O 2p orbitals. The difference spectra showing Ln 4f states were aligned at the valence band maximum (VBM) making use of the peaks of Al 2p inner shells, and the Ln{sup 3+} 4f energy levels referred to the VBM were determined from the Ln{sup 3+} 4f peak energies. The Ln{sup 3+} 4f energy levels obtained by this simple method were in good agreement with those previously obtained by resonant ultraviolet photoelectron spectroscopy measurements using single crystal samples. - Highlights: • Lanthanide (Ln) 4f energy in YAlO{sub 3} was studied by X-ray photoelectron spectroscopy. • The method used differences in photoionization probability between Ln 4f and O 2p. • Ln 4f states were obtained by difference spectra between Ln- and non-doped samples. • Obtained 4f energy levels agreed with those reported by a sophisticated method.

  7. Deduction of the chemical state and the electronic structure of Nd{sub 2}Fe{sub 14}B compound from X-ray photoelectron spectroscopy core-level and valence-band spectra

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Jing; Liang, Le [School of Materials Science and Engineering, Shanghai Jiao Tong University, Shanghai 200240 (China); Zhang, Lanting, E-mail: lantingzh@sjtu.edu.cn, E-mail: lmsun@sjtu.edu.cn [School of Materials Science and Engineering, Shanghai Jiao Tong University, Shanghai 200240 (China); Hirano Institute for Materials Innovation, Shanghai Jiao Tong University, Shanghai 200240 (China); Sun, Limin, E-mail: lantingzh@sjtu.edu.cn, E-mail: lmsun@sjtu.edu.cn [Instrumental Analysis Center, Shanghai Jiao Tong University, Shanghai 200240 (China); Hirano, Shinichi [Hirano Institute for Materials Innovation, Shanghai Jiao Tong University, Shanghai 200240 (China)

    2014-10-28

    Characterization of chemical state and electronic structure of the technologically important Nd{sub 2}Fe{sub 14}B compound is attractive for understanding the physical nature of its excellent magnetic properties. X-ray photoelectron spectroscopy (XPS) study of such rare-earth compound is important and also challenging due to the easy oxidation of surface and small photoelectron cross-sections of rare-earth 4f electrons and B 2p electrons, etc. Here, we reported an investigation based on XPS spectra of Nd{sub 2}Fe{sub 14}B compound as a function of Ar ion sputtering time. The chemical state of Fe and that of B in Nd{sub 2}Fe{sub 14}B compound can be clearly determined to be 0 and −3, respectively. The Nd in Nd{sub 2}Fe{sub 14}B compound is found to have the chemical state of close to +3 instead of +3 as compared with the Nd in Nd{sub 2}O{sub 3}. In addition, by comparing the valence-band spectrum of Nd{sub 2}Fe{sub 14}B compound to that of the pure Fe, the contributions from Nd, Fe, and B to the valence-band structure of Nd{sub 2}Fe{sub 14}B compound is made more clear. The B 2p states and B 2s states are identified to be at ∼11.2 eV and ∼24.6 eV, respectively, which is reported for the first time. The contribution from Nd 4f states can be identified both in XPS core-level spectrum and XPS valence-band spectrum. Although Nd 4f states partially hybridize with Fe 3d states, Nd 4f states are mainly localized in Nd{sub 2}Fe{sub 14}B compound.

  8. Photoelectron spectroscopy principles and applications

    CERN Document Server

    Hüfner, Stefan

    1995-01-01

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

  9. Core-valence coupling in the Ru 4p photoexcitation/Auger decay process: Auger-photoelectron coincidence spectroscopy study

    International Nuclear Information System (INIS)

    Gotter, R.; Siu, W.-K.; Bartynski, R. A.; Hulbert, S. L.; Wu, Xilin; Zitnik, M.; Nozoye, H.

    2000-01-01

    The N 23 VV Auger spectrum of Ru has been measured in coincidence with 4p 1/2 and with 4p 3/2 photoelectrons. Unlike other metals that exhibit bandlike Auger decays, we find that the two Auger spectra are not shifted by the difference in core level binding energies. A consistent description of these transitions and the core level line shape requires consideration of the relativistic multiplet splitting in the intermediate core hole state and two-valence-hole Auger final state. The results suggest that the large linewidth of the 4p levels is primarily due to multiplet splitting, and that an N 2 (N 3 N 45 )N 45 N 45 super-Coster-Kronig transition is only a minor decay channel. (c) 2000 The American Physical Society

  10. Threshold photoelectron spectroscopy of acetaldehyde and acrolein

    International Nuclear Information System (INIS)

    Yencha, Andrew J.; Siggel-King, Michele R.F.; King, George C.; Malins, Andrew E.R.; Eypper, Marie

    2013-01-01

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

  11. Photoelectron spectra and electronic structure of some spiroborate complexes

    Energy Technology Data Exchange (ETDEWEB)

    Vovna, V.I.; Tikhonov, S.A.; Lvov, I.B., E-mail: lvov.ib@dvfu.ru; Osmushko, I.S.; Svistunova, I.V.; Shcheka, O.L.

    2014-12-15

    Highlights: • The electronic structure of three spiroborate complexes—boron 1,2-dioxyphenylene β-diketonates has been investigated. • UV and X-ray photoelectron spectra have been interpreted. • DFT calculations have been used for interpretation of spectral bands. • The binding energy of nonequivalent carbon and oxygen atoms were measured. • The structure of X-ray photoelectron spectra of the valence electrons is in good agreement with the energies and composition of Kohn–Sham orbitals. - Abstract: The electronic structure of the valence and core levels of three spiroborate complexes – boron 1,2-dioxyphenylene β-diketonates – has been investigated by methods of UV and X-ray photoelectron spectroscopy and quantum chemical density functional theory. The ionization energy of π- and n-orbitals of the dioxyphenylene fragment and β-diketonate ligand were measured from UV photoelectron spectra. This made it possible to determine the effect of substitution of one or two methyl groups by the phenyl in diketone on the electronic structure of complexes. The binding energy of nonequivalent carbon and oxygen atoms were measured from X-ray photoelectron spectra. The results of calculations of the energy of the valence orbitals of complexes allowed us to refer bands observed in the spectra of the valence electrons to the 2s-type levels of carbon and oxygen.

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

    Science.gov (United States)

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

  13. X-ray absorption and resonant photoelectron spectroscopy of epitaxial Fe-doped SrTiO{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Koehl, Annemarie; Lenser, Christian; Xu, Chencheng; Wicklein, Sebastian; Dittmann, Regina [Peter Gruenberg Institut 7, Forschungszentrum Juelich GmbH (Germany); Kajewski, Dariusz; Kubacki, Jurek; Szade, Jacek [A.Chelkowski Institute of Physics, University of Silesia, Katowic (Poland)

    2012-07-01

    In recent years resistive switching in transition metal oxides received a lot of research interest due to the proposed application as non-volatile data memory. SrTiO{sub 3} serves as a model system for the investigation of resistive switching due to the valency change mechanism. Frequently, slightly Fe doping is used, as it has shown to improve the switching properties. The focus of this study is the effect of Fe-doping of SrTiO{sub 3} in thin epitaxial films. Thin film samples with Fe concentration of 2 at.% and 5 at.% were prepared by pulsed laser deposition at varying substrate temperatures. The surface morphology of the films is studied with AFM. X-ray absorption spectroscopy is performed in total-electron and auger-electron yield offering different probing depths. Significant variations of the Fe-L edge between bulk and interface as well as after annealing are observed and discussed in terms of integration into the lattice and evolution of secondary phases. Resonant photoelectron spectroscopy at the absorption edge of Ti, O and Fe was used to determine the spectral contributions to the valence band. Most noteworthy we find significant spectral weight above the valence band, which can be attributed to Fe-states.

  14. Bimolecular reaction dynamics from photoelectron spectroscopy of negative ions

    International Nuclear Information System (INIS)

    Bradforth, S.E.

    1992-11-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-08-15

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

  16. Atomic photoelectron-spectroscopy studies using synchrotron radiation

    International Nuclear Information System (INIS)

    Kobrin, P.H.

    1983-02-01

    Photoelectron spectroscopy combined with tunable synchrotron radiation has been used to study the photoionization process in several atomic systems. The time structure of the synchrotron radiation source at the Stanford Synchrotron Radiation Laboratory (SSRL) was used to record time-of-flight (TOF) photoelectron spectra of gaseous Cd, Hg, Ne, Ar, Ba, and Mn. The use of two TOF analyzers made possible the measurement of photoelectron angular distributions as well as branching ratios and partial cross sections

  17. Hard-X-ray photoelectron spectroscopy of NaxCoO2.yH2O

    International Nuclear Information System (INIS)

    Chainani, A.; Yokoya, T.; Takata, Y.; Tamasaku, K.; Taguchi, M.; Shimojima, T.; Kamakura, N.; Horiba, K.; Tsuda, S.; Shin, S.; Miwa, D.; Nishino, Y.; Ishikawa, T.; Yabashi, M.; Kobayashi, K.; Namatame, H.; Taniguchi, M.; Takada, K.; Sasaki, T.; Sakurai, H.; Takayama-Muromachi, E.

    2005-01-01

    We study the bulk electronic structure of Na x CoO 2 .yH 2 O using Hard X-ray (HX, hν = 5.95KeV) synchrotron photoelectron spectroscopy (PES). The Co 2p core level spectra show well-separated Co 3+ and Co 4+ ions. Cluster calculations suggest low spin Co 3+ and Co 4+ character, and a moderate on-site Coulomb correlation energy U dd ∼3-5.5eV. Photon-dependent valence band PES identifies Co 3d and O 2p derived states, in near agreement with band structure calculations. We discuss the importance of HX-PES for studying correlated transition metal oxides

  18. Polarization Effects in Attosecond Photoelectron Spectroscopy

    DEFF Research Database (Denmark)

    Baggesen, Jan Conrad; Madsen, Lars Bojer

    2010-01-01

    following the field instead. We show that polarization effects may lead to an apparent temporal shift that needs to be properly accounted for in the analysis. The effect may be isolated and studied by angle-resolved photoelectron spectroscopy from oriented polar molecules. We also show that polarization...... effects will lead to an apparent temporal shift of 50 as between photoelectrons from a 2p and 1s state in atomic hydrogen....

  19. Electronic structure of Al- and Ga-doped ZnO films studied by hard X-ray photoelectron spectroscopy

    Directory of Open Access Journals (Sweden)

    M. Gabás

    2014-01-01

    Full Text Available Al- and Ga-doped sputtered ZnO films (AZO, GZO are semiconducting and metallic, respectively, despite the same electronic valence structure of the dopants. Using hard X-ray photoelectron spectroscopy we observe that both dopants induce a band in the electronic structure near the Fermi level, accompanied by a narrowing of the Zn 3d/O 2p gap in the valence band and, in the case of GZO, a substantial shift in the Zn 3d. Ga occupies substitutional sites, whereas Al dopants are in both substitutional and interstitial sites. The latter could induce O and Zn defects, which act as acceptors explaining the semiconducting character of AZO and the lack of variation in the optical gap. By contrast, mainly substitutional doping is consistent with the metallic-like behavior of GZO.

  20. Negative-Ion source for mass selective photodetachment photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Kaesmaier, R.; Baemann, C.; Drechsler, G.; Boesl, U.

    1995-01-01

    We have designed and constructed a negative ion source for mass spectrometry and mass selective photodetachement photoelectron spectroscopy. The characteristics of the source are high anion densities and a large variety of accessible systems. Thus, mass spectra and photoelectron spectra of large unvolatile moelcules (biomolecules), of metal-organic compounds and of molecule water clusters, especially mentioned in this article, have been measured. Combining mass spectrometry, photoelectron spectroscopy (PES) and high resolution ZEKE (zero kinetic energy)-PES (1) should make the apparatus to an ideal diagnostic tool for structural assignment

  1. An experimental and theoretical study of the valence shell photoelectron spectra of 2-chloropyridine and 3-chloropyridine

    Science.gov (United States)

    Holland, D. M. P.; Powis, I.; Trofimov, A. B.; Menzies, R. C.; Potts, A. W.; Karlsson, L.; Badsyuk, I. L.; Moskovskaya, T. E.; Gromov, E. V.; Schirmer, J.

    2017-10-01

    The valence shell photoelectron spectra of 2-chloropyridine and 3-chloropyridine have been studied both experimentally and theoretically. Synchrotron radiation has been employed to record angle resolved photoelectron spectra in the photon energy range 20-100 eV, and these have enabled anisotropy parameters and branching ratios to be derived. The experimental results have been compared with theoretical predictions obtained using the continuum multiple scattering Xα approach. This comparison shows that the anisotropy parameter associated with the nominally chlorine lone-pair orbital lying in the molecular plane is strongly affected by the atomic Cooper minimum. In contrast, the photoionization dynamics of the second lone-pair orbital, orientated perpendicular to the molecular plane, seem relatively unaffected by this atomic phenomenon. The outer valence ionization has been studied theoretically using the third-order algebraic-diagrammatic construction (ADC(3)) approximation scheme for the one-particle Green's function, the outer valence Green's function method, and the equation-of-motion (EOM) coupled cluster (CC) theory at the level of the EOM-IP-CCSD and EOM-EE-CC3 models. The convergence of the results to the complete basis set limit has been investigated. The ADC(3) method has been employed to compute the complete valence shell ionization spectra of 2-chloropyridine and 3-chloropyridine. The relaxation mechanism for ionization of the nitrogen σ-type lone-pair orbital (σN LP) has been found to be different to that for the corresponding chlorine lone-pair (σCl LP). For the σN LP orbital, π-π* excitations play the main role in the screening of the lone-pair hole. In contrast, excitations localized at the chlorine site involving the chlorine πCl LP lone-pair and the Cl 4p Rydberg orbital are the most important for the σCl LP orbital. The calculated photoelectron spectra have allowed assignments to be proposed for most of the structure observed in the

  2. Bimolecular reaction dynamics from photoelectron spectroscopy of negative ions

    Energy Technology Data Exchange (ETDEWEB)

    Bradforth, Stephen Edmund [Univ. of California, Berkeley, CA (United States)

    1992-11-01

    The transition state region of a neutral bimolecular reaction may be experimentally investigated by photoelectron spectroscopy of an appropriate negative ion. The photoelectron spectrum provides information on the spectroscopy and dynamics of the short lived transition state and may be used to develop model potential energy surfaces that are semi-quantitative in this important region. The principles of bound {yields} bound negative ion photoelectron spectroscopy are illustrated by way of an example: a full analysis of the photoelectron bands of CN-, NCO- and NCS-. Transition state photoelectron spectra are presented for the following systems Br + HI, Cl + HI, F + HI, F + CH30H,F + C2H5OH,F + OH and F + H2. A time dependent framework for the simulation and interpretation of the bound → free transition state photoelectron spectra is subsequently developed and applied to the hydrogen transfer reactions Br + HI, F + OH → O(3P, 1D) + HF and F + H2. The theoretical approach for the simulations is a fully quantum-mechanical wave packet propagation on a collinear model reaction potential surface. The connection between the wavepacket time evolution and the photoelectron spectrum is given by the time autocorrelation function. For the benchmark F + H2 system, comparisons with three-dimensional quantum calculations are made.

  3. In situ photoelectron spectroscopy of LaMnO3 and La0.6Sr0.4MnO3 thin films grown by laser molecular beam expitaxy

    International Nuclear Information System (INIS)

    Oshima, M.; Kobayashi, D.; Horiba, K.; Ohguchi, H.; Kumigashira, H.; Ono, K.; Nakagawa, N.; Lippmaa, M.; Kawasaki, M.; Koinuma, H.

    2004-01-01

    We have constructed a high-resolution photoelectron spectroscopy system combined with a laser molecular beam epitaxy (laser-MBE) chamber and have characterized composition-controlled La 1-x Sr x MnO 3 (LSMO) thin films. The importance of atomically flat surfaces by in situ photoelectron spectroscopy for revealing the intrinsic electronic structures has been demonstrated by comparing O1s, O2s and valence band spectra from the laser-MBE-grown LaMnO 3 and LSMO films with those from the scraped samples. Even for the laser-MBE-grown LSMO films, core levels and band structure exhibit strong dependence on surface morphology. For atomically flat LSMO films, we have also elucidated the hole-doping features into Mn3d e g band by substituting La with Sr by resonant photoelectron spectra

  4. X-ray magnetic circular dichroism and hard X-ray photoelectron spectroscopy of tetragonal Mn72Ge28 epitaxial thin film

    Science.gov (United States)

    Kim, Jinhyeok; Mizuguchi, Masaki; Inami, Nobuhito; Ueno, Tetsuro; Ueda, Shigenori; Takanashi, Koki

    2018-04-01

    An epitaxially grown Mn72Ge28 film with a tetragonal crystal structure was fabricated. It was clarified that the film had a perpendicular magnetization and a high perpendicular magnetic anisotropy energy of 14.3 Merg/cm3. The electronic structure was investigated by X-ray magnetic circular dichroism and hard X-ray photoelectron spectroscopy. The obtained X-ray magnetic circular dichroism spectrum revealed that the Mn orbital magnetic moment governed the magnetocrystalline anisotropy of the Mn72Ge28 film. A doublet structure was observed for the Mn 2p3/2 peak of hard X-ray photoelectron spectrum, indicating the spin exchange interaction between the 2p core-hole and 3d valence electrons.

  5. Valence and magnetic state of transition-metal and rare-earth ions in single-crystal multiferroics RMn{sub 2}O{sub 5} (R = Y, Bi, Eu, Gd) from X-ray photoelectron spectroscopy data

    Energy Technology Data Exchange (ETDEWEB)

    Kozakov, A.T. [Scientific-Research Institute of Physics at Southern Federal University, 194 Stachki, Rostov-na-Donu 344194 (Russian Federation); Kochur, A.G., E-mail: agk@rgups.ru [Rostov State University of Transport Communication, 2 Narodnogo Opolcheniya, Rostov-na-Donu 344038 (Russian Federation); Nikolsky, A.V.; Googlev, K.A.; Smotrakov, V.G.; Eremkin, V.V. [Scientific-Research Institute of Physics at Southern Federal University, 194 Stachki, Rostov-na-Donu 344194 (Russian Federation)

    2011-11-15

    Highlights: {yields} Single crystals RMn{sub 2}O{sub 5} (R = Y, Bi, Eu, Gd) and YMnO{sub 3} are grown. {yields} Core level XPS are measured and calculated with inclusion of temperature effect. {yields} Mn2p, Mn3s, R4s, and R4d (R = Eu, Gd) XPS are sensitive to valence and spin state. {yields} Paramagnetic moments per structural cell are estimated. - Abstract: Single crystals of orthorhombic multiferroics RMn{sub 2}O{sub 5} (R = Y, Bi, Eu, Gd), and of hexagonal manganite YMnO{sub 3} are grown. X-ray photoelectron spectra of the core levels of the Mn, Y, Bi, Eu, Gd, and O atoms in multiferroics are obtained at room temperature with the ESCALAB 250 microprobe system with monochromatization of the exciting X-ray radiation. X-ray photoelectron spectra of Mn2p, Mn3s, R4s, and R4d (R = Eu, Gd) levels are assigned based on one-configuration isolated-ion approximation calculations with taking the temperature effect into account. It is shown using the photoelectron spectroscopy methods that both Mn{sup 3+} and Mn{sup 4+} ions are present in orthorhombic multiferroics, while Eu and Gd are in trivalent state. Paramagnetic moments per structural unit are calculated and compared with those determined from our spectroscopic data and with the data from other authors.

  6. Valence and inner-valence shell dissociative photoionization of CO in the 26-33 eV range. II. Molecular-frame and recoil-frame photoelectron angular distributions

    DEFF Research Database (Denmark)

    Lebech, M.; Houver, J.C.; Raseev, G.

    2012-01-01

    Experimental and theoretical results for molecular-frame photoemission are presented for inner-valence shell photoionization of the CO molecule induced by linearly and circularly polarized light. The experimental recoil frame photoelectron angular distributions (RFPADs) obtained from dissociative...... photoionization measurements where the velocities of the ionic fragment and photoelectron were detected in coincidence, are compared to RFPADs computed using the multichannel Schwinger configuration interaction method. The formalism for including a finite lifetime of the predissociative ion state is presented...... for the case of general elliptically polarized light, to obtain the RFPAD rather than the molecular frame photoelectron angular distribution (MFPAD), which would be obtained with the assumption of instantaneous dissociation. We have considered photoionization of CO for the photon energies of 26.0 eV, 29.5 e...

  7. Measurement of ZnO/Al2O3 Heterojunction Band Offsets by in situ X-Ray Photoelectron Spectroscopy

    International Nuclear Information System (INIS)

    Lei Hong-Wen; Zhang Hong; Wang Xue-Min; Zhao Yan; Yan Da-Wei; Jiang Zhong-Qian; Yao Gang; Zeng Ti-Xian; Wu Wei-Dong

    2013-01-01

    ZnO films are grown on c-sapphire substrates by laser molecular beam epitaxy. The band offsets of the ZnO/Al 2 O 3 heterojunction are studied by in situ x-ray photoelectron spectroscopy. The valence band of Al 2 O 3 is found to be 3.59±0.05eV below that of ZnO. Together with the resulting conduction band offset of 2.04±0.05eV, this indicates that a type-I staggered band line exists at the ZnO/Al 2 O 3 heterojunction

  8. Intermediate valence spectroscopy

    International Nuclear Information System (INIS)

    Gunnarsson, O.; Schoenhammer, K.

    1987-01-01

    Spectroscopic properties of intermediate valence compounds are studied using the Anderson model. Due to the large orbital and spin degeneracy N/sub f/ of the 4f-level, 1/N/sub f/ can be treated as a small parameter. This approach provides exact T = 0 results for the Anderson impurity model in the limit N/sub f/ → ∞, and by adding 1/N/sub f/ corrections some properties can be calculated accurately even for N/sub f/ = 1 or 2. In particular valence photoemission and resonance photoemission spectroscopies are studied. A comparison of theoretical and experimental spectra provides an estimate of the parameters in the model. Core level photoemission spectra provide estimates of the coupling between the f-level and the conduction states and of the f-level occupancy. With these parameters the model gives a fair description of other electron spectroscopies. For typical parameters the model predicts two structures in the f-spectrum, namely one structure at the f-level and one at the Fermi energy. The resonance photoemission calculation gives a photon energy dependence for these two peaks in fair agreement with experiment. The peak at the Fermi energy is partly due to a narrow Kondo resonance, resulting from many-body effects and the presence of a continuous, partly filled conduction band. This resonance is related to a large density of low-lying excitations, which explains the large susceptibility and specific heat observed for these systems at low temperatures. 38 references, 11 figures, 2 tables

  9. Probing deeper by hard x-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Risterucci, P.; Renault, O., E-mail: olivier.renault@cea.fr; Martinez, E.; Delaye, V. [CEA, LETI, MINATEC Campus, 38054 Grenoble Cedex 09 (France); Detlefs, B. [CEA, LETI, MINATEC Campus, 38054 Grenoble Cedex 09 (France); European Synchrotron Radiation Facility, 6 rue Jules Horowitz, F-38043 Grenoble (France); Zegenhagen, J. [European Synchrotron Radiation Facility, 6 rue Jules Horowitz, F-38043 Grenoble (France); Gaumer, C. [STMicroelectronics, 850 rue Jean Monnet, 38926 Crolles (France); Grenet, G. [Institut des Nanotechnologies de Lyon (INL), UMR CNRS 5270, Ecole Centrale de Lyon, 36, avenue Guy de Collongue 69 134 Ecully Cedex (France); Tougaard, S. [Department of Physics, Chemistry and Pharmacy, University of Southern Denmark, DK-5230 Odense M (Denmark)

    2014-02-03

    We report an hard x-ray photoelectron spectroscopy method combining high excitation energy (15 keV) and improved modelling of the core-level energy loss features. It provides depth distribution of deeply buried layers with very high sensitivity. We show that a conventional approach relying on intensities of the core-level peaks is unreliable due to intense plasmon losses. We reliably determine the depth distribution of 1 ML La in a high-κ/metal gate stack capped with 50 nm a-Si. The method extends the sensitivity of photoelectron spectroscopy to depths beyond 50 nm.

  10. X-ray photoelectron spectroscopy investigations of band offsets in Ga0.02Zn0.98O/ZnO heterojunction for UV photodetectors

    Science.gov (United States)

    Singh, Karmvir; Rawal, Ishpal; Punia, Rajesh; Dhar, Rakesh

    2017-10-01

    Here, we report the valence and conduction band offset measurements in pure ZnO and the Ga0.02Zn0.98O/ZnO heterojunction by X-Ray photoelectron spectroscopy studies for UV photodetector applications. For detailed investigations on the band offsets and UV photodetection behavior of Ga0.02Zn0.98O/ZnO heterostructures, thin films of pristine ZnO, Ga-doped ZnO (Ga0.02Zn0.98O), and heterostructures of Ga-doped ZnO with ZnO (Ga0.02Zn0.98O/ZnO) were deposited using a pulsed laser deposition technique. The deposited thin films were characterized by X-ray diffraction, atomic force microscopy, and UV-Vis spectroscopy. X-ray photoelectron spectroscopy studies were carried out on all the thin films for the investigation of valence and conduction band offsets. The valence band was found to be shifted by 0.28 eV, while the conduction band has a shifting of -0.272 eV in the Ga0.02Zn0.98O/ZnO heterojunction as compared to pristine ZnO thin films. All the three samples were analyzed for photoconduction behavior under UVA light of the intensity of 3.3 mW/cm2, and it was observed that the photoresponse of pristine ZnO (19.75%) was found to increase with 2 wt. % doping of Ga (22.62%) and heterostructured thin films (29.10%). The mechanism of UV photodetection in the deposited samples has been discussed in detail, and the interaction of chemisorbed oxygen on the ZnO surface with holes generated by UV light exposure has been the observed mechanism for the change in electrical conductivity responsible for UV photoresponse on the present deposited ZnO films.

  11. Photoelectron spectroscopy bulk and surface electronic structures

    CERN Document Server

    Suga, Shigemasa

    2014-01-01

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

  12. Photoelectron spectroscopy study of the X-ray-induced decomposition of some gold(III) dithiocarbamates

    International Nuclear Information System (INIS)

    Attekum, P.M.Th.M. van; Trooster, J.M.

    1980-01-01

    The factors influencing the decomposition rate of two gold(III) complexes, [AuMe 2 (S 2 CNMe 2 )] and [AuBr 2 (S 2 CNPr 2 sup(n))]; in an X-ray photoelectron spectroscopy experiment have been studied. It is shown that the decomposition rate can be slowed down by using graphite as substrate and by lowering the sample temperature. From the Au(4f) spectrum a direct measure has been made of the shift in the binding energy between Ausup(III) and Ausup(I) and this shift is shown to be dependent on the electronegativity of the ligands. The valence bands of the complexes show a narrow Au(5d) band with a spin-orbit splitting of ca. 1.6 eV. (author)

  13. Surface characterization of colossal magnetoresistive manganites La1-xSr xMnO3 using photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Mannella, N.; Rosenhahn, A.; Nambu, A.; Sell, B.C.; Mun, B.S.; Yang, S.-H.; Marchesini, S.; Watanabe, M.; Ibrahim, K.; Ritchey, S.B.; Tomioka, Y.; Fadley, C.S.

    2006-01-01

    We have studied the temperature and time dependence of Surface chemical composition and atomic structure of in situ fractured colossal magnetoresistive perovskites La 1-x Sr x MnO (x = 0.3, 0.4) using core-level photoelectron spectroscopy and diffraction, simultaneous with observing marked changes in both core and valence electronic structure on going above the Curie temperature [N. Mannella et al., Phys. Rev. Lett. 92 (2004) 166401]. Stoichiometric analyses via core-level intensity ratios show that the near-surface composition is very nearly the same as that of the nominal (bulk) stoichiometry and further show that, during duration of our experiments, the degree of surface stoichiometry alteration or contamination has been minimal. The effects of photoelectron diffraction on such analyses are also explored. We comment on the degree to which near-surface composition or atomic-structure alterations might influence spectroscopic investigations of these manganites, or other strongly correlated materials

  14. Time-resolved imaging of purely valence-electron dynamics during a chemical reaction

    DEFF Research Database (Denmark)

    Hockett, Paul; Bisgaard, Christer Z.; Clarkin, Owen J.

    2011-01-01

    Chemical reactions are manifestations of the dynamics of molecular valence electrons and their couplings to atomic motions. Emerging methods in attosecond science can probe purely electronic dynamics in atomic and molecular systems(1-6). By contrast, time-resolved structural-dynamics methods...... such as electron(7-10) or X-ray diffraction(11) and X-ray absorption(12) yield complementary information about the atomic motions. Time-resolved methods that are directly sensitive to both valence-electron dynamics and atomic motions include photoelectron spectroscopy(13-15) and high-harmonic generation(16......,17): in both cases, this sensitivity derives from the ionization-matrix element(18,19). Here we demonstrate a time-resolved molecular-frame photoelectron-angular-distribution (TRMFPAD) method for imaging the purely valence-electron dynamics during a chemical reaction. Specifically, the TRMFPADs measured during...

  15. Valence band structure of PDMS surface and a blend with MWCNTs: A UPS and MIES study of an insulating polymer

    Energy Technology Data Exchange (ETDEWEB)

    Schmerl, Natalya M.; Khodakov, Dmitriy A.; Stapleton, Andrew J.; Ellis, Amanda V.; Andersson, Gunther G., E-mail: gunther.andersson@flinders.edu.au

    2015-10-30

    Graphical abstract: - Highlights: • Valence electron spectroscopy was performed on an insulating polymer using different charge compensation methods. • MWCNT were embedded in PDMS and found to be the most effective method for reducing the charging of the insulating polymer. • The valence band spectrum of PDMS was obtained via MIES and UPS. • Ion scattering spectroscopy was used to determine the concentration depth profile of the PDMS in the sample. - Abstract: The use of polydimethylsiloxane (PDMS) is increasing with new technologies working toward compact, flexible and transparent devices for use in medical and microfluidic systems. Electronic characterization of PDMS and other insulating materials is difficult due to charging, yet necessary for many applications where the interfacial structure is vital to device function or further modification. The outermost layer in particular is of importance as this is the area where chemical reactions such as surface functionalization will occur. Here, we investigate the valence band structure of the outermost layer and near surface area of PDMS through the use of metastable induced photoelectron spectroscopy (MIES) paired with ultraviolet photoelectron spectroscopy (UPS). The chemical composition of the samples under investigation were measured via X-ray photoelectron spectroscopy (XPS), and the vertical distribution of the polymer was shown with neutral impact collision ion scattering spectroscopy (NICISS). Three separate methods for charge compensation are used for the samples, and their effectiveness is compared.

  16. Valence shell threshold photoelectron spectroscopy of the CHxCN (x = 0-2) and CNC radicals.

    Science.gov (United States)

    Garcia, Gustavo A; Krüger, Julia; Gans, Bérenger; Falvo, Cyril; Coudert, Laurent H; Loison, Jean-Christophe

    2017-07-07

    We present the photoelectron spectroscopy of four radical species, CH x CN (x = 0-2) and CNC, formed in a microwave discharge flow-tube reactor by consecutive H abstractions from CH 3 CN (CH x CN + F → CH x-1 CN + HF (x = 1-3)). The spectra were obtained combining tunable vacuum ultraviolet synchrotron radiation with double imaging electron/ion coincidence techniques, which yielded mass-selected threshold photoelectron spectra. The results obtained for H 2 CCN complement existing ones while for the other radicals the data represent the first observation of their (single-photon) ionizing transitions. In the case of H 2 CCN, Franck-Condon calculations have been performed in order to assign the vibrational structure of the X + 1 A 1 ←X 2 B 1 ionizing transition. A similar treatment for the HCCN, CCN, and CNC radicals appeared to be more complicated mainly because a Renner-Teller effect strongly affects the vibrational levels of the ground electronic state of the HCCN + , CCN, and CNC species. Nevertheless, the first adiabatic ionization energies of these radicals are reported and compared to our ab initio calculated values, leading to new values for enthalpies of formation (Δ f H 298 0 (HCCN + (X 2 A ' ))=1517±12kJmol -1 ,Δ f H 298 0 (CCN(X 2 Π))=682±13kJmol -1 , and Δ f H 298 0 (CNC(X 2 Πg))=676±12kJmol -1 ), which are of fundamental importance for astrochemistry.

  17. Structures of cycloserine and 2-oxazolidinone probed by X-ray photoelectron spectroscopy: theory and experiment.

    Science.gov (United States)

    Ahmed, Marawan; Wang, Feng; Acres, Robert G; Prince, Kevin C

    2014-05-22

    The electronic structures and properties of 2-oxazolidinone and the related compound cycloserine (CS) have been investigated using theoretical calculations and core and valence photoelectron spectroscopy. Isomerization of the central oxazolidine heterocycle and the addition of an amino group yield cycloserine. Theory correctly predicts the C, N, and O 1s core spectra, and additionally, we report theoretical natural bond orbital (NBO) charges. The valence ionization energies are also in agreement with theory and previous measurements. Although the lowest binding energy part of the spectra of the two compounds shows superficial similarities, further analysis of the charge densities of the frontier orbitals indicates substantial reorganization of the wave functions as a result of isomerization. The highest occupied molecular orbital (HOMO) of CS shows leading carbonyl π character with contributions from other heavy (non-H) atoms in the molecule, while the HOMO of 2-oxazolidinone (OX2) has leading nitrogen, carbon, and oxygen pπ characters. The present study further theoretically predicts bond resonance effects of the compounds, evidence for which is provided by our experimental measurements and published crystallographic data.

  18. Liquid microjet for photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Winter, Bernd

    2009-01-01

    Photoelectron spectroscopy from highly volatile liquids, especially from water and aqueous solutions, has recently become possible due to the development of the vacuum liquid microjet in combination of high-brilliance synchrotron radiation. The present status of this rapidly growing field is reported here, with an emphasize on the method's sensitivity for detecting local electronic structure, and for monitoring ultrafast dynamical processes in aqueous solution exploiting core-level resonant excitation.

  19. Liquid microjet for photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Winter, Bernd [Helmholtz-Zentrum Berlin fuer Materialien und Energie, and BESSY, Albert-Einstein-Strasse 15, D-12489 Berlin (Germany)], E-mail: bernd.winter@bessy.de

    2009-03-21

    Photoelectron spectroscopy from highly volatile liquids, especially from water and aqueous solutions, has recently become possible due to the development of the vacuum liquid microjet in combination of high-brilliance synchrotron radiation. The present status of this rapidly growing field is reported here, with an emphasize on the method's sensitivity for detecting local electronic structure, and for monitoring ultrafast dynamical processes in aqueous solution exploiting core-level resonant excitation.

  20. Recent trends in spin-resolved photoelectron spectroscopy

    Science.gov (United States)

    Okuda, Taichi

    2017-12-01

    Since the discovery of the Rashba effect on crystal surfaces and also the discovery of topological insulators, spin- and angle-resolved photoelectron spectroscopy (SARPES) has become more and more important, as the technique can measure directly the electronic band structure of materials with spin resolution. In the same way that the discovery of high-Tc superconductors promoted the development of high-resolution angle-resolved photoelectron spectroscopy, the discovery of this new class of materials has stimulated the development of new SARPES apparatus with new functions and higher resolution, such as spin vector analysis, ten times higher energy and angular resolution than conventional SARPES, multichannel spin detection, and so on. In addition, the utilization of vacuum ultra violet lasers also opens a pathway to the realization of novel SARPES measurements. In this review, such recent trends in SARPES techniques and measurements will be overviewed.

  1. a near ambient pressure UV photoelectron spectroscopy

    Indian Academy of Sciences (India)

    Manoj Kumar Ghosalya

    2018-03-02

    Mar 2, 2018 ... UV photoelectron spectroscopy (NAP-UPS) investigations. MANOJ KUMAR ... gations led to various models of Ag-O2 interaction to explain its role in the .... charge lamp (for He I and He II excitations) are available as photon ...

  2. X-ray photoelectron spectra structure of actinide compounds stipulated by electrons of the inner valence molecular orbitals (IVMO)

    International Nuclear Information System (INIS)

    Teterin, Yu. A.; Ivanov, K. E.

    1997-01-01

    Development of precise X-ray photoelectron spectroscopy using X-ray radiation hν< 1.5 KeV allowed to carry out immediate investigations of fine spectra structure of both weakly bond and deep electrons. Based on the experiments and the obtained results it may be concluded: 1. Under favourable conditions the inner valence molecular orbitals (IVMO) may form in all actinide compounds. 2. The XPS spectra fine structure stipulated by IVMO electrons allows to judge upon the degree of participation of the filled AO electrons in the chemical bond, on the structure o considered atom close environment and the bond lengths in compounds. For amorphous compounds the obtaining of such data based on X-ray structure analysis is restricted. 3. The summary contribution of IVMO electrons to the absolute value of the chemical bonding is comparable with the corresponding value of OMO electrons contribution to the atomic bonding. This fact is very important and new in chemistry. (author)

  3. Photoelectron Spectroscopy in Advanced Placement Chemistry

    Science.gov (United States)

    Benigna, James

    2014-01-01

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

  4. Unitary bases for x-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Patterson, C.W.; Harter, W.G.; Schneider, W.D.

    1979-01-01

    A Gelfand basis is used to derive the coefficients of fractional parentage (CFP's) used to calculate intensities for x-ray photoelectron spectroscopy of atoms. Using associated Gelfand bases, we show that it is easy to derive the Racah CFP relations between particles and holes

  5. Occupied and unoccupied electronic structures of an L-cysteine film studied by core-absorption and resonant photoelectron spectroscopies

    Science.gov (United States)

    Kamada, M.; Hideshima, T.; Azuma, J.; Yamamoto, I.; Imamura, M.; Takahashi, K.

    2016-04-01

    Unoccupied and occupied electronic structures of an L-cysteine film have been studied by absorption and resonant photoelectron spectroscopies. Core absorptions at S-L, C-K, N-K, and O-K levels indicate that the lower unoccupied states are predominantly composed of oxygen-2p, carbon-2p, and sulfur-4s+3d orbitals, while higher unoccupied states may be attributed dominantly to nitrogen-np (n ≥ 3), oxygen-np (n ≥ 3), and sulfur-ns+md (n ≥ 4, m ≥ 3) orbitals. Resonant photoelectron spectra at S-L23 and O-K levels indicate that the highest occupied state is originated from sulfur-3sp orbitals, while oxygen-2sp orbitals contribute to the deeper valence states. The delocalization lifetimes of the oxygen-1s and sulfur-2p excited states are estimated from a core-hole clock method to be about 9 ± 1 and 125 ± 25 fs, respectively.

  6. Occupied and unoccupied electronic structures of an L-cysteine film studied by core-absorption and resonant photoelectron spectroscopies

    Energy Technology Data Exchange (ETDEWEB)

    Kamada, M., E-mail: kamada@cc.saga-u.ac.jp; Hideshima, T.; Azuma, J.; Yamamoto, I.; Imamura, M.; Takahashi, K. [Synchrotron Light Application Center, Saga University, Honjo 1, Saga 840-8502 (Japan)

    2016-04-15

    Unoccupied and occupied electronic structures of an L-cysteine film have been studied by absorption and resonant photoelectron spectroscopies. Core absorptions at S-L, C-K, N-K, and O-K levels indicate that the lower unoccupied states are predominantly composed of oxygen-2p, carbon-2p, and sulfur-4s+3d orbitals, while higher unoccupied states may be attributed dominantly to nitrogen-np (n ≥ 3), oxygen-np (n ≥ 3), and sulfur-ns+md (n ≥ 4,  m ≥ 3) orbitals. Resonant photoelectron spectra at S-L{sub 23} and O-K levels indicate that the highest occupied state is originated from sulfur-3sp orbitals, while oxygen-2sp orbitals contribute to the deeper valence states. The delocalization lifetimes of the oxygen-1s and sulfur-2p excited states are estimated from a core-hole clock method to be about 9 ± 1 and 125 ± 25 fs, respectively.

  7. Photoelectron energy-loss study of the Bi2CaSr2Cu2O8 superconductor

    International Nuclear Information System (INIS)

    Shen, Z.; Lindberg, P.A.P.; Dessau, D.S.; Lindau, I.; Spicer, W.E.; Mitzi, D.B.; Bozovic, I.; Kapitulnik, A.

    1989-01-01

    Using energy-loss spectroscopy of photoelectrons from a single crystal of Bi 2 CaSr 2 Cu 2 O 8 , we show that the electronic structure of the near-surface region is the same as that of the bulk. Utilizing the fact that photoelectrons of different elements are excited at different locations in the unit cell, we identify the energy-loss features as due to valence plasmon excitations, and one-electron excitations by comparing the photoelectron energy-loss spectra of the different elements

  8. Photoelectron spectroscopy study on Li substituted NiO using PES beamline installed on Indus-1

    Science.gov (United States)

    Banerjee, A.; Chaudhari, S. M.; Phase, D. M.; Dasannacharya, B. A.

    2003-01-01

    Photoelectron spectroscopy beamline based on a toroidal grating monochromator (TGM) is recently commissioned on Indus-1 storage ring. It has been used to carry out valence band photoemission study of Li substituted NiO. In this paper initially a brief description of the beamline components and the experimental station for angle integrated photoemission experiment is presented. The later part of this paper is devoted to studies carried out on Li xNi 1- xO with x=0.0, 0.35 and 0.5 samples. Thin pellets of polycrystalline samples were used for the measurements reported here. Valence band spectra recorded on polycrystalline Li xNi 1- xO samples show drastic changes in various features as compared to that of pure NiO. The prominent changes are: (i) change in the relative contributions of Ni-3d and O-2p emissions, (ii) change in the peak position of Ni-3d from the top of the valance band of NiO and (iii) no noticeable change in the Ni satellite peak. These results are evaluated in terms of earlier findings in pure and low Li doped NiO.

  9. Photoelectron spectroscopy study on Li substituted NiO using PES beamline installed on Indus-1

    CERN Document Server

    Banerjee, A; Phase, D M; Dasannacharya, B A

    2003-01-01

    Photoelectron spectroscopy beamline based on a toroidal grating monochromator (TGM) is recently commissioned on Indus-1 storage ring. It has been used to carry out valence band photoemission study of Li substituted NiO. In this paper initially a brief description of the beamline components and the experimental station for angle integrated photoemission experiment is presented. The later part of this paper is devoted to studies carried out on Li sub x Ni sub 1 sub - sub x O with x=0.0, 0.35 and 0.5 samples. Thin pellets of polycrystalline samples were used for the measurements reported here. Valence band spectra recorded on polycrystalline Li sub x Ni sub 1 sub - sub x O samples show drastic changes in various features as compared to that of pure NiO. The prominent changes are: (i) change in the relative contributions of Ni-3d and O-2p emissions, (ii) change in the peak position of Ni-3d from the top of the valance band of NiO and (iii) no noticeable change in the Ni satellite peak. These results are evaluated...

  10. Photoelectron spectrometer for attosecond spectroscopy of liquids and gases

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-12-15

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

  11. Photoelectron spectrometer for attosecond spectroscopy of liquids and gases

    International Nuclear Information System (INIS)

    Jordan, I.; Huppert, M.; Wörner, H. J.; Brown, M. A.; Bokhoven, J. A. van

    2015-01-01

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

  12. Photoelectron spectrometer for attosecond spectroscopy of liquids and gases

    Science.gov (United States)

    Jordan, I.; Huppert, M.; Brown, M. A.; van Bokhoven, J. A.; Wörner, H. J.

    2015-12-01

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

  13. Intramolecular dynamics due to electron transitions: from photoelectron spectroscopy to Femtochemistry

    International Nuclear Information System (INIS)

    Gadzuk, J.W.

    1999-01-01

    Select spectroscopic and chemical physics problems associated with atomic motion triggered by electronic transitions are the topics of this paper. The story starts with the initial stimulation provided by Dick Brundle's photoelectron spectroscopy studies of adsorbed molecules and continues to contemporary examples in photoelectron spectroscopy and Femtochemistry, all of which are theoretically modelled within a unified framework of time-dependent, driven oscillators and decaying states. (Copyright (c) 1999 Elsevier Science B.V., Amsterdam. All rights reserved.)

  14. Photoelectron spectroscopy of heavy atoms and molecules

    International Nuclear Information System (INIS)

    White, M.G.

    1979-07-01

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

  15. Angle-resolved photoelectron spectroscopy of the chloro-substituted methanes

    Science.gov (United States)

    Keller, P. R.; Taylor, J. W.; Carlson, Thomas A.; Grimm, F. A.

    1983-09-01

    The angular distribution parameter, β, was determined for the valence orbitals (IP ' 21.2 eV) of CCl 4, CHCl 3, CH 2Cl 2, and CH 3Cl in the 10-30 eV photon energy range using dispersed polarized synchrotron radiation. The energy dependence of β in the photoelectron energy range of 2 to 10 eV for the non-bonding chlorine n(Cl) orbitals of these molecules was found to be similar for all n(Cl) orbitals investigated. The energy dependence of β for the σ orbitals in these molecules was similar to that observed previously for other σ orbitals. The experimental CCl 4 results were compared with theoretical CCl 4 results obtained using the Xα multiple scattering formalism. Theory predicts the existence of two strong shape resonances in each of the valence orbitals of CCl 4. The overall agreement between experiment and theory is evaluated along with the experimental evidence concerning the verification of the predicted shape resonances.

  16. Anion photoelectron spectroscopy of radicals and clusters

    Energy Technology Data Exchange (ETDEWEB)

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

    1999-12-01

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

  17. Core level photoelectron spectroscopy of LiGaS2 and Ga-S bonding in complex sulfides

    International Nuclear Information System (INIS)

    Atuchin, V.V.; Isaenko, L.I.; Kesler, V.G.; Lobanov, S.I.

    2010-01-01

    The electronic parameters of the lithium thiogallate LiGaS 2 have been evaluated by X-ray photoelectron spectroscopy (XPS). Spectral features of all constituent element core levels and Auger lines have been considered. The Ga-S bonding effects in Ga-bearing sulfide crystals have been discussed using binding energy difference Δ 2p (S-Ga) = BE(S 2p) - BE(Ga 3d) as a representative parameter to quantify the valence electron shift from gallium to sulfur atoms. The value Δ 2p (S-Ga) = 141.9 eV found for LiGaS 2 is very close to that evaluated for AgGaS 2 . This relation is an indicator of closely coincident ionicity of Ga-S bonds in LiGaS 2 and AgGaS 2 .

  18. Valence-to-core-detected X-ray absorption spectroscopy

    DEFF Research Database (Denmark)

    Hall, Eleanor R.; Pollock, Christopher J.; Bendix, Jesper

    2014-01-01

    X-ray absorption spectroscopy (XAS) can provide detailed insight into the electronic and geometric structures of transition-metal active sites in metalloproteins and chemical catalysts. However, standard XAS spectra inherently represent an average contribution from the entire coordination...... environment with limited ligand selectivity. To address this limitation, we have investigated the enhancement of XAS features using valence-to-core (VtC)-detected XAS, whereby XAS spectra are measured by monitoring fluorescence from valence-to-core X-ray emission (VtC XES) events. VtC emission corresponds...... to transitions from filled ligand orbitals to the metal 1s core hole, with distinct energetic shifts for ligands of differing ionization potentials. VtC-detected XAS data were obtained from multiple valence emission features for a series of well-characterized Mn model compounds; taken together, these data...

  19. Dealloying of Cu{sub x}Au studied by hard X-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Rajput, Parasmani, E-mail: parasmani.rajput@northwestern.edu [European Synchrotron Radiation Facility, 6 rue Jules Horowitz, F-38043 Grenoble (France); Gupta, Ajay [UGC-DAE Consortium for Scientific Research, University Campus, Khandwa Road, Indore 452 017 (India); Detlefs, Blanka [European Synchrotron Radiation Facility, 6 rue Jules Horowitz, F-38043 Grenoble (France); Kolb, Dieter M. [Institute for Electrochemistry, University of Ulm, D-89069 Ulm (Germany); Potdar, Satish [UGC-DAE Consortium for Scientific Research, University Campus, Khandwa Road, Indore 452 017 (India); Zegenhagen, Jörg [European Synchrotron Radiation Facility, 6 rue Jules Horowitz, F-38043 Grenoble (France)

    2013-10-15

    Highlights: ► The shift in binding energy of Cu and Au lines in CuAu alloys is opposite to expected from the nobility of the elements. ► The magnitude of the chemical shifts of the metal lines in CuAu alloys is strongly influenced by finite size effects and disorder. ► Cu 3s and/or Au 4f cross-sections are not well described by theory (Scofield). The Cu 3s photoabsorption cross-section seems to be strongly overestimated. ► We find/confirm that (CuAu) dealloying proceeds into depth like a spinodal decomposition. -- Abstract: We studied pristine and leached ultra-thin Cu{sub x}Au (x ≈ 4) films by hard X-ray photoelectron spectroscopy. The Au 4f and Cu 3s core levels show a shift in binding energy which is opposite to expected from the nobility of the elements, which is explained by charge transfer involving differently screening s and d valence levels of the elements [W. Eberhardt, S.C. Wu, R. Garrett, D. Sondericker, F. Jona, Phys. Rev. B 31 (1985) 8285]. The magnitude of the chemical shifts of the metal lines is strongly influenced by the finite size and disorder of the films. Angular dependent photoelectron emission allowed to assess the alloy composition as a function of depth larger than 5 nm. The potential controlled dealloying proceeds into depth like a spinodal decomposition with Cu going into solution and the remaining Au accumulating in the surface region. The compositional gradient did not lead to a significant broadening of the metal photoelectron lines suggesting a non-local screening mechanism.

  20. Photoelectron Imaging Spectroscopy as a Window to Unexpected Molecules

    Science.gov (United States)

    Blackstone, Christopher C.

    2017-06-01

    Targeting an anion with the formula CH_{3}O_{3} for exploration with photoelectron imaging spectroscopy, we determine its identity to be dihydroxymethanolate, an anion largely absent in the literature, and the conjugate base of the hypothetical species orthoformic acid. Comparing the observed photoelectron spectrum to CCSD-EOM-IP and CCSD-EOM-SF calculations completed in QChem and Franck-Condon overlap simulations in PESCAL, we are able to determine with confidence the connectivity of the atoms in this molecule.

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

    DEFF Research Database (Denmark)

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

    2014-01-01

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

  2. Measurement of core level and band offsets at the interface of ITO/Hg_3In_2Te_6(1 1 0) heterojunction by synchrotron radiation photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Li, Yapeng; Fu, Li; Sun, Jie; Ibrahim, Kurash; Wang, Jia-ou

    2016-01-01

    Highlights: • The valence band maximum of ITO film and MIT were measured to be 1.6 eV and 0.6 eV, respectively. • The concentration of In element presented a trend of increasing first and then decreasing from MIT to ITO. • The valence band offsets of the ITO/MIT(1 1 0) heterojunction was confirmed to be a type-II band alignment phenomenon. - Abstract: The Indium Tin Oxide (ITO) film was deposited on the surface of Hg_3In_2Te_6 (short for MIT) (1 1 0) for the fabrication of ITO/MIT(1 1 0) heterojunction by using the pulsed laser deposition method. In situ X-ray photoelectron spectroscopy was utilized to examine the band offsets and core level of ITO/MIT(1 1 0) heterojunctions. The result showed that the valence band maximum of ITO films and MIT(1 1 0) were 1.6 eV and 0.6 eV, respectively. Meanwhile, it was found that the binding energy of Te 3d, Sn 3d and Hg 4f remained unchanged during the ITO deposition process. However, the binding energy of O 1s and In 3d_5_/_2 increased about 0.3 eV and 0.2 eV, respectively, with the thickness increasing of ITO film from 3.5 nm to 5 nm. This may due to the elements diffusion at the interface region during the film growing process. According to the core level spectrum, it can be speculated that no significant chemical reaction occurred at the interface of ITO/MIT(1 1 0). In addition, the valence band offset of the ITO/MIT(1 1 0) heterojunction can be calculated to be −1 ± 0.15 eV by the means of the photoelectron spectroscopy methods. The conduction band offset is deduced to be −3.96 ± 0.15 eV from the known valence band offset value, indicating that the band offsets of ITO/MIT(1 1 0) heterojunction is a type-II band alignment.

  3. Band offsets in HfTiO/InGaZnO4 heterojunction determined by X-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    He, G.; Chen, X.F.; Lv, J.G.; Fang, Z.B.; Liu, Y.M.; Zhu, K.R.; Sun, Z.Q.; Liu, M.

    2015-01-01

    Highlights: • Band offsets in HfTiO/InGaZnO 4 heterojunction were determined by XPS. • Valence band offset of HfTiO/IGZO heterojunction is determined to be 0.35 eV. • Conduction band offset of 1.61 eV is deduced for HfTiO/IGZO heterojunction. - Abstract: In current report, X-ray photoelectron spectroscopy has been pursued to obtain the valence band discontinuity (ΔE v ) of sputter deposited HfTiO/InZnGaO 4 (IGZO) heterostructures. A ΔE v value of 0.32 ± 0.1 eV was obtained by using the Ga 2p3/2, Zn 2p3/2, and In 3d5/2 energy levels as references. Taking into consideration the experimental band gaps of 5.35 eV and 3.39 eV for HfTiO and IGZO thin films measured by absorption method, respectively, this would result in a conduction band offset of 1.64 eV in this heterostructure

  4. Interface electronic properties of co-evaporated MAPbI3 on ZnO(0001): In situ X-ray photoelectron spectroscopy and ultraviolet photoelectron spectroscopy study

    International Nuclear Information System (INIS)

    Zhou, Xianzhong; Li, Xiaoli; Huang, Feng; Zhong, Dingyong; Liu, Yuan

    2016-01-01

    In this work, the interface electronic properties of ZnO(0001)/CH 3 NH 3 PbI 3 were investigated by both X-ray and ultraviolet photoelectron spectroscopy. The CH 3 NH 3 PbI 3 thin films were grown on single crystalline ZnO(0001) substrate in situ by co-evaporation of PbI 2 and CH 3 NH 3 I at room temperature with various thickness from 1.5 nm to 190 nm. It was found that the conduction band minimum of ZnO lies 0.3 eV below that of CH 3 NH 3 PbI 3 , while the valence band maximum of ZnO lies 2.1 eV below that of CH 3 NH 3 PbI 3 , implying that the electrons can be effectively transported from CH 3 NH 3 PbI 3 to ZnO, and the holes can be blocked in the same time. A PbI 2 rich layer was initially formed at the interface of ZnO(0001)/CH 3 NH 3 PbI 3 during the growth. As a consequence, an interface barrier was built up which may prevent the electron transport at the interface.

  5. Hole energy and momentum distributions in valence bands

    International Nuclear Information System (INIS)

    Laan, G. van der.

    1982-01-01

    In order to understand the electrical and magnetic properties of solids, the knowledge of the density of states and the dispersion relation of the valence bands is indispensable. This thesis offers some alternative methods to obtain information about the nature of the valence band. Part A deals with the energy distribution of the photoelectrons. A simple model, which explains the core hole satellite structure in compounds with large correlation effects between the valence band holes and the created photo-hole, is outlined. CuCl, CuX 2 (X = F Cl and Br) are studied, by photoemission and Auger electron spectroscopies in determining the valence band properties. Part B deals with the simultaneous measurement of the energy and the wave vector of the emitted electrons. A practical example is given for the determination of the dispersion relation in copper. The measurements of a surface resonance band and the distribution of the secondary electrons are also reported. (Auth.)

  6. Evaluation of band alignment of α-Ga2O3/α-(Al x Ga1‑ x )2O3 heterostructures by X-ray photoelectron spectroscopy

    Science.gov (United States)

    Uchida, Takayuki; Jinno, Riena; Takemoto, Shu; Kaneko, Kentaro; Fujita, Shizuo

    2018-04-01

    The band alignment at an α-Ga2O3/α-(Al x Ga1‑ x )2O3 heterointerface, with different Al compositions (x), grown on a c-plane sapphire substrate was evaluated by X-ray photoelectron spectroscopy. The experimental results show that the heterointerface has the type-I band discontinuity with the valence band offsets of 0.090, 0.12, and 0.14 eV, and the conduction band offsets of 0.34, 0.79, and 1.87 eV, for x values of 0.1, 0.4, and 0.8, respectively. The small band offset for the valence band is attributed to the fact that the valence band of oxides is constituted by the localized O 2p level, which is dominated by the nature of oxygen atoms. The type-I band discontinuity is desirable for a variety of heterostructure devices.

  7. Ultraviolet photoelectron spectroscopy of transient species

    International Nuclear Information System (INIS)

    Leeuw, D.M. de.

    1979-01-01

    Transient species are studied in the isolation of the gas phase using ultraviolet photoelectron spectroscopy (PES). A description of the equipment used and a discussion of some theoretical topics, which play a role in the interpretation of PE spectra, are given. Koopmans' theorem, Hartree-Fock-Slater (HFS) calculations and the sum rule are discussed. A versatile ultraviolet PE spectrometer, designed specifically for this purpose, has been built and the construction and performance of this instrument are described. (Auth.)

  8. Quadrupole effects in core and valence photoelectron emission from crystalline germanium measured via a spatially modulated x-ray interference field

    International Nuclear Information System (INIS)

    Nelson, E.J.; Woicik, J.C.; Pianetta, P.; Vartanyants, I.A.; Cooper, J.W.

    2002-01-01

    Near a crystal x-ray Bragg reflection, the incident and reflected x-ray beams that travel with opposite wave vectors create an x-ray standing-wave (XSW) interference field. The quadrupole (and higher order nondipole) contributions to the photoelectron emission matrix element differ for these two beams due to their different wave vectors. By monitoring the angle-resolved photoelectron yield as a function of photon energy near the (11-1) Bragg back-reflection condition of crystalline Ge, we measure the contribution of nondipole effects to Ge 3p, Ge 3d, and Ge valence-band (4s and 4p) XSW photoelectron emission. Significant changes due to nondipole emission are measured in both the apparent amplitude and phase of the Ge structure factor relative to the true Ge atomic distribution, and compared to theory

  9. Probing Transient Valence Orbital Changes with Picosecond Valence-to-Core X-ray Emission Spectroscopy

    DEFF Research Database (Denmark)

    March, Anne Marie; Assefa, Tadesse A.; Boemer, Christina

    2017-01-01

    We probe the dynamics of valence electrons in photoexcited [Fe(terpy)2]2+ in solution to gain deeper insight into the Fe ligand bond changes. We use hard X-ray emission spectroscopy (XES), which combines element specificity and high penetration with sensitivity to orbital structure, making...... valence orbitals to the nascent core-hole. Vtc-XES offers particular insight into the molecular orbitals directly involved in the light-driven dynamics; a change in the metal ligand orbital overlap results in an intensity reduction and a blue energy shift in agreement with our theoretical calculations...... and more subtle features at the highest energies reflect changes in the frontier orbital populations....

  10. Photoelectron and electron momentum spectroscopy of 1-butene at benchmark theoretical levels

    International Nuclear Information System (INIS)

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

    2011-01-01

    The results of experimental studies of the valence electronic structure of 1-butene employing photoelectron spectroscopy as well as electron momentum spectroscopy are interpreted on the ground of quantitative calculations of one-electron and shake-up ionization energies and of the related Dyson orbitals, using one-particle Green's function theory in conjunction with the third-order algebraic diagrammatic construction scheme (ADC(3)). Comparison is made with simulations of (e, 2e) electron momentum distributions obtained from standard (B3LYP) Kohn-Sham orbitals. Our analysis is based on highly quantitative determinations of the energy difference between the cis and gauche (C 1 ) conformers, within ∼0.02 kcal mol -1 accuracy, and a thermostatistical evaluation thereby of conformer weights beyond the level of the rigid rotor harmonic oscillator approximation. Relative entropies are found to be particularly sensitive to hindered rotations. The shake-up onset is located at 15.9 eV, and the orbital picture of ionization breaks down completely at electron binding energies above 19 eV. If the available experimental momentum profiles demonstrate the dominance of the C 1 conformer, they are in this case clearly not sensitive enough to the molecular conformation for evaluating conformer abundances with accuracies better than 10% due to the limited energy and momentum resolutions and likely physical complications.

  11. Probing molecular orientations in thin films by x-ray photoelectron spectroscopy

    Science.gov (United States)

    Li, Y.; Li, P.; Lu, Z.-H.

    2018-03-01

    A great number of functional organic molecules in active thin-film layers of optoelectronic devices have highly asymmetric structures, such as plate-like, rod-like, etc. This makes molecular orientation an important aspect in thin-films as it can significantly affect both the optical and electrical performance of optoelectronic devices. With a combination of in-situ ultra violet photoelectron spectroscopy (UPS) and x-ray photoelectron spectroscopy (XPS) investigations for organic molecules having a broad range of structural properties, we discovered a rigid connection of core levels and frontier highest occupied molecular orbital levels at organic interfaces. This finding opens up opportunities of using X-ray photoemission spectroscopy as an alternative tool to UPS for providing an easy and unambiguous data interpretation in probing molecular orientations.

  12. Structure of Se-rich As-Se glasses by high-resolution x-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Golovchak, R.; Kovalskiy, A.; Miller, A. C.; Jain, H.; Shpotyuk, O.

    2007-01-01

    To establish the validity of various proposed structural models, we have investigated the structure of the binary As x Se 100-x chalcogenide glass family (x≤40) by high-resolution x-ray photoelectron spectroscopy. From the composition dependence of the valence band, the contributions to the density of states from the 4p lone pair electrons of Se and the 4p bonding states and 4s electrons of Se and As are identified in the top part of the band. The analysis of Se 3d and As 3d core-level spectra supports the so-called chain crossing model for the atomic structure of Se-rich As x Se 100-x bulk glasses. The results also indicate small deviations (∼3-8%) from this model, especially for glass compositions with short Se chains (25 40 Se 60 and of Se-Se-Se fragments in a glass with composition x=30 is established

  13. SmB6 electron-phonon coupling constant from time- and angle-resolved photoelectron spectroscopy

    Science.gov (United States)

    Sterzi, A.; Crepaldi, A.; Cilento, F.; Manzoni, G.; Frantzeskakis, E.; Zacchigna, M.; van Heumen, E.; Huang, Y. K.; Golden, M. S.; Parmigiani, F.

    2016-08-01

    SmB6 is a mixed valence Kondo system resulting from the hybridization between localized f electrons and delocalized d electrons. We have investigated its out-of-equilibrium electron dynamics by means of time- and angle-resolved photoelectron spectroscopy. The transient electronic population above the Fermi level can be described by a time-dependent Fermi-Dirac distribution. By solving a two-temperature model that well reproduces the relaxation dynamics of the effective electronic temperature, we estimate the electron-phonon coupling constant λ to range from 0.13 ±0.03 to 0.04 ±0.01 . These extremes are obtained assuming a coupling of the electrons with either a phonon mode at 10 or 19 meV. A realistic value of the average phonon energy will give an actual value of λ within this range. Our results provide an experimental report on the material electron-phonon coupling, contributing to both the electronic transport and the macroscopic thermodynamic properties of SmB6.

  14. Resonant photoelectron spectroscopy of γ-Al{sub 2}O{sub 3}/SrTiO{sub 3} heterostructures

    Energy Technology Data Exchange (ETDEWEB)

    Schuetz, Philipp; Pfaff, Florian; Zapf, Michael; Gabel, Judith; Dudy, Lenart; Berner, Goetz; Sing, Michael; Claessen, Ralph [Wuerzburg Univ. (Germany). Physikalisches Inst. and Roentgen Center for Complex Material Systems (RCCM); Chen, Yunzhong; Pryds, Nini [Technical Univ. of Denmark, Risoe (Denmark). Dept. of Energy Conversion and Storage; Rogalev, Victor; Strocov, Vladimir [Paul Scherrer Institut, Villigen (Switzerland). Swiss Light Source; Schlueter, Christoph; Lee, Tien-Lin [Diamond Light Source Ltd., Didcot (United Kingdom)

    2015-07-01

    The spinel/perovskite heterointerface between the band insulators γ-Al{sub 2}O{sub 3} and SrTiO{sub 3} hosts a two-dimensional electron system (2DES) with exceptionally high electron mobility. Soft X-ray resonant photoelectron spectroscopy at the Ti L absorption edge is used to probe the Ti 3d derived interface states. Marked differences in the resonance behavior are found for the SrTiO{sub 3} valence band and the different interface states, which are observed in the band gap of SrTiO{sub 3}. A comparison to X-ray absorption spectra of Ti 3d{sup 0} and Ti 3d{sup 1} systems reveals the presence of different types of electronic states with Ti 3d character, i.e., oxygen vacancy induced, trapped in-gap states and itinerant states contributing to the 2DES. Furthermore, exposure to low doses of oxygen during irradiation allows for the controlled and reversible manipulation of the interfacial electronic structure, i.e., the in-gap state intensity and the valence band offset between SrTiO{sub 3} and γ-Al{sub 2}O{sub 3}.

  15. Band alignment of HfO{sub 2}/AlN heterojunction investigated by X-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Ye, Gang [School of Electrical and Electronic Engineering, Nanyang Technological University, Singapore 639798 (Singapore); Wang, Hong, E-mail: ewanghong@ntu.edu.sg [School of Electrical and Electronic Engineering, Nanyang Technological University, Singapore 639798 (Singapore); CNRS-International-NTU-THALES Research Alliances/UMI 3288, 50 Nanyang Drive, Singapore 637553 (Singapore); Ji, Rong [Data Storage Institute, Agency for Science Technology and Research (A-STAR), Singapore 117608 (Singapore)

    2016-04-18

    The band alignment between AlN and Atomic-Layer-Deposited (ALD) HfO{sub 2} was determined by X-ray photoelectron spectroscopy (XPS). The shift of Al 2p core-levels to lower binding energies with the decrease of take-off angles θ indicated upward band bending occurred at the AlN surface. Based on the angle-resolved XPS measurements combined with numerical calculations, valence band discontinuity ΔE{sub V} of 0.4 ± 0.2 eV at HfO{sub 2}/AlN interface was determined by taking AlN surface band bending into account. By taking the band gap of HfO{sub 2} and AlN as 5.8 eV and 6.2 eV, respectively, a type-II band line-up was found between HfO{sub 2} and AlN.

  16. Angle-resolved photoelectron spectroscopy of cyclopropane

    Science.gov (United States)

    Keller, P. R.; Taylor, J. W.; Carlson, Thomas A.; Whitley, T. A.; Grimm, F. A.

    1985-10-01

    The angular distribution parameter, β, determined for the valence orbitals (IP < 18 eV) of cyclopropane in the 10-30 eV photon energy range using dispersed polarized synchrotron radiation. The energy dependence of β for photoelectron energies between, 2 and 10 eV above threshold was found to be similar to those found previously for other σ orbitals. The effects of Jahn-Teller splitting on β for the 3e' orbital were found to be small but definitely present. The overall shape and magnitude of the β( hv) curve are, however, sufficiently for the different Jahn-Teller components that, for purposes of orbital assignments using β( hv) curves the shape and magnitude of the curves can be considered associated only with the initial state. Resonance photoionization features at a photon ener of ≈ 18 eV were observed in the 3e' and 3a' 1 orbitals and tentatively assigned to autoionization.

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

    International Nuclear Information System (INIS)

    Suga, Shigemasa; Tusche, Christian

    2015-01-01

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

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

    International Nuclear Information System (INIS)

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

    2011-01-01

    High-resolution X-ray photoelectron spectroscopy (XPS) is used to study regularities in the formation of valence band electronic structure in binary As x Se 100−x , As x S 100−x , Ge x Se 100−x and Ge x S 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.

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

    Energy Technology Data Exchange (ETDEWEB)

    Kozyukhin, S., E-mail: sergkoz@igic.ras.ru [Russian Academy of Science, Institute of General and Inorganic Chemistry (Russian Federation); Golovchak, R. [Lviv Scientific Research Institute of Materials of SRC ' Carat' (Ukraine); Kovalskiy, A. [Lehigh University, Department of Materials Science and Engineering (United States); Shpotyuk, O. [Lviv Scientific Research Institute of Materials of SRC ' Carat' (Ukraine); Jain, H. [Lehigh University, Department of Materials Science and Engineering (United States)

    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.

  20. Band offsets in HfTiO/InGaZnO{sub 4} heterojunction determined by X-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    He, G., E-mail: ganghe01@issp.ac.cn [School of Physics and Materials Science, Radiation Detection Materials & Devices Lab, Anhui University, Hefei 230601 (China); Chen, X.F. [School of Physics and Materials Science, Radiation Detection Materials & Devices Lab, Anhui University, Hefei 230601 (China); Lv, J.G., E-mail: jglv@hftc.edu.cn [School of Electronic and Information Engineering, Hefei Normal University, Hefei 230601 (China); Fang, Z.B., E-mail: csfzb@usx.edu.cn [Department of Physics, Shaoxing University, Shaoxing 312000 (China); Liu, Y.M.; Zhu, K.R.; Sun, Z.Q. [School of Physics and Materials Science, Radiation Detection Materials & Devices Lab, Anhui University, Hefei 230601 (China); Liu, M., E-mail: mliu@issp.ac.cn [Key Laboratory of Materials Physics, Anhui Key Laboratory of Nanomaterials and Nanostructure, Institute of Solid State Physics, Chinese Academy of Sciences, Hefei 230031 (China)

    2015-09-05

    Highlights: • Band offsets in HfTiO/InGaZnO{sub 4} heterojunction were determined by XPS. • Valence band offset of HfTiO/IGZO heterojunction is determined to be 0.35 eV. • Conduction band offset of 1.61 eV is deduced for HfTiO/IGZO heterojunction. - Abstract: In current report, X-ray photoelectron spectroscopy has been pursued to obtain the valence band discontinuity (ΔE{sub v}) of sputter deposited HfTiO/InZnGaO{sub 4} (IGZO) heterostructures. A ΔE{sub v} value of 0.32 ± 0.1 eV was obtained by using the Ga 2p3/2, Zn 2p3/2, and In 3d5/2 energy levels as references. Taking into consideration the experimental band gaps of 5.35 eV and 3.39 eV for HfTiO and IGZO thin films measured by absorption method, respectively, this would result in a conduction band offset of 1.64 eV in this heterostructure.

  1. Photoelectron spectroscopy of the 6-azauracil anion.

    Science.gov (United States)

    Chen, Jing; Buonaugurio, Angela; Dolgounitcheva, Olga; Zakrzewski, V G; Bowen, Kit H; Ortiz, J V

    2013-02-14

    We report the photoelectron spectrum of the 6-azauracil anion. The spectrum is dominated by a broad band exhibiting a maximum at an electron binding energy (EBE) of 1.2 eV. This spectral pattern is indicative of a valence anion. Our calculations were carried out using ab initio electron propagator and other many-body methods. Comparison of the anion and corresponding neutral of 6-azauracil with those of uracil shows that substituting a nitrogen atom for C-H at the C6 position of uracil gives rise to significant changes in the electronic structure of 6-azauracil versus that of uracil. The adiabatic electron affinity (AEA) of the canonical 6-azauracil tautomer is substantially larger than that of canonical uracil. Among the five tautomeric, 6-azauracil anions studied computationally, the canonical structure was found to be the most stable. The vertical detachment energies (VDE) of the canonical, valence-bound anion of 6-azauracil and its closest "very-rare" tautomer have been calculated. Electron propagator calculations on the canonical anion yield a VDE value that is in close agreement with the experimentally determined VDE value of 1.2 eV. The AEA value of 6-azauracil, assessed at the CCSD(T) level of theory to be 0.5 eV, corresponds with the EBE value of the onset of the experimental spectrum.

  2. Investigating Surface and Interface Phenomena in LiFeBO3 Electrodes Using Photoelectron Spectroscopy Depth Profiling

    DEFF Research Database (Denmark)

    Maibach, Julia; Younesi, Reza; Schwarzburger, Nele

    2014-01-01

    The formation of surface and interface layers at the electrodes is highly important for the performance and stability of lithium ion batteries. To unravel the surface composition of electrode materials, photoelectron spectroscopy (PES) is highly suitable as it probes chemical surface and interface...... properties with high surface sensitivity. Additionally, by using synchrotron-generated hard x-rays as excitation source, larger probing depths compared to in-house PES can be achieved. Therefore, the combination of in-house soft x-ray photoelectron spectroscopy and hard x-ray photoelectron spectroscopy...

  3. Probing molecular orientations in thin films by x-ray photoelectron spectroscopy

    Directory of Open Access Journals (Sweden)

    Y. Li

    2018-03-01

    Full Text Available A great number of functional organic molecules in active thin-film layers of optoelectronic devices have highly asymmetric structures, such as plate-like, rod-like, etc. This makes molecular orientation an important aspect in thin-films as it can significantly affect both the optical and electrical performance of optoelectronic devices. With a combination of in-situ ultra violet photoelectron spectroscopy (UPS and x-ray photoelectron spectroscopy (XPS investigations for organic molecules having a broad range of structural properties, we discovered a rigid connection of core levels and frontier highest occupied molecular orbital levels at organic interfaces. This finding opens up opportunities of using X-ray photoemission spectroscopy as an alternative tool to UPS for providing an easy and unambiguous data interpretation in probing molecular orientations.

  4. Many-body effect in the partial singles N2,3 photoelectron spectroscopy spectrum of atomic Cd

    International Nuclear Information System (INIS)

    Ohno, Masahide

    2008-01-01

    We can extract out the photoelectron kinetic energy (KE) dependent imaginary part of the core-hole self-energy by employing Auger-photoelectron coincidence spectroscopy (APECS). The variation with photoelectron KE in the Auger electron spectroscopy (AES) spectral peak intensity of a selected decay channel measured in coincidence with photoelectrons of a selected KE is the partial singles (non-coincidence) photoelectron spectroscopy (PES) spectrum, i.e., the product of the singles PES one and the branching ratio of the partial Auger decay width of a selected decay channel to the imaginary part of the core-hole self-energy. When a decay channel the partial Auger decay width of which is photoelectron KE independent is selected, we can extract out spectroscopically the imaginary part of the core-hole self-energy because the variation with photoelectron KE in the relative spectral intensity of the partial singles PES spectrum to the singles one is that in the branching ratio of the partial Auger decay width of a selected decay channel. As an example we discussed the N 2,3 -hole self-energy of atomic Cd

  5. Photoelectron Spectroscopy of Substituted Phenylnitrenes

    Science.gov (United States)

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

    2009-06-01

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

  6. Photoelectron spectroscopy of molecular beams

    International Nuclear Information System (INIS)

    Berkowitz, J.

    1974-01-01

    The history of physical science is replete with examples of phenomena initially discovered and investigated by physicists, which have subsequently become tools of the chemist. It is demonstrated in this paper that the field of photoelectron spectroscopy may develop in a reverse fashion. After a brief introduction to the subject, the properties characterized as physical ones, are discussed. These are intensities and angular distributions, from which one can infer transition probabilities and phase shifts. Three separate experiments are described which involve accurate intensity measurements and it is shown how an interpretation of the results by appropriate theory has given new insight into the photoionization process. (B.R.H.)

  7. Characterization of Ge-nanocrystal films with photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Bostedt, C.; Buuren, T. van; Willey, T.M.; Nelson, A.J.; Franco, N.; Moeller, T.; Terminello, L.J.

    2003-01-01

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

  8. X-ray photoelectron spectroscopy of the uranium/oxygen system

    International Nuclear Information System (INIS)

    Allen, G.C.; Holmes, N.R.

    1986-10-01

    Other authors have presented evidence to show that the oxidised surface layer which forms on UO 2 at 25 0 C is amorphous UO 3 . In the present study X-ray photoelectron spectroscopy, infra-red spectroscopy and X-ray diffraction have been used to characterise the higher oxides α-UO 3 , β-UO 3 , γ-UO 3 and δ-UO 3 . While the infra-red and X-ray diffraction results may be used to characterise each oxide the X-ray photoelectron spectra for each phase are very similar. During reduction of the oxide surface in the spectrometer changes in the spectra were observed which were shown to be associated with particular oxidation states of the metal rather than different uranium atom coordination sites within the oxide. A close structural relationship is demonstrated between these oxides and the product at the surface of air-oxidised UO 2 fuel. (author)

  9. Photoelectron spectroscopy study of Fe-diluted Au-Fe alloys

    CERN Document Server

    Nahm, T U; Choi, B; Park, J S; Oh, S J; Cho, E J

    2003-01-01

    The electronic structure of Fe-diluted Au-Fe alloys has been studied by taking core-level and valence-band spectra using x-ray photoemission spectroscopy and synchrotron radiation. From the core-level spectroscopy, we found that the Fe 2p spectrum is composed of d sup 6 and d sup 7 multiplets from Fe impurity atoms. This behaviour is qualitatively discussed within the context of electron-electron interaction. In order to explore the electron-correlation effects in the valence band, we obtained Fe 3d partial spectral weights by taking advantage of the Cooper-minimum phenomenon of an Au 5d photoionization cross section. It was found that the spin-down states have an appreciable amount of spectral weights throughout the host Au 5d band, contrary to previous one-electron calculations predicting two-peak structure of the Fe 3d states. We suggest that this discrepancy results from the correlation effect of the Fe 3d electrons.

  10. Efficient and tunable high-order harmonic light sources for photoelectron spectroscopy at surfaces

    International Nuclear Information System (INIS)

    Chiang, Cheng-Tien; Huth, Michael; Trützschler, Andreas; Schumann, Frank O.; Kirschner, Jürgen; Widdra, Wolf

    2015-01-01

    Highlights: • An overview of photoelectron spectroscopy using high-order harmonics is presented. • Photoemission spectra on Ag(0 0 1) using megahertz harmonics are shown. • A gas recycling system for harmonic generation is presented. • Non-stop operation of megahertz harmonics up to 76 h is demonstrated. • The bandwidth and pulse duration of the harmonics are discussed. - Abstract: With the recent progress in high-order harmonic generation (HHG) using femtosecond lasers, laboratory photoelectron spectroscopy with an ultrafast, widely tunable vacuum-ultraviolet light source has become available. Despite the well-established technique of HHG-based photoemission experiments at kilohertz repetition rates, the efficiency of these setups can be intrinsically limited by the space-charge effects. Here we present recent developments of compact HHG light sources for photoelectron spectroscopy at high repetition rates up to megahertz, and examples for angle-resolved photoemission experiments are demonstrated.

  11. Core level photoelectron spectroscopy of LiGaS{sub 2} and Ga-S bonding in complex sulfides

    Energy Technology Data Exchange (ETDEWEB)

    Atuchin, V.V., E-mail: atuchin@thermo.isp.nsc.r [Laboratory of Optical Materials and Structures, Institute of Semiconductor Physics, SB RAS, 13, Lavrentieva Ave., Novosibirsk 90, 630090 (Russian Federation); Isaenko, L.I. [Laboratory of Crystal Growth, Institute of Geology and Mineralogy, SB RAS, Novosibirsk 90, 630090 (Russian Federation); Kesler, V.G. [Laboratory of Physical Bases of Integrated Microelectronics, Institute of Semiconductor Physics, SB RAS, Novosibirsk 90, 630090 (Russian Federation); Lobanov, S.I. [Laboratory of Crystal Growth, Institute of Geology and Mineralogy, SB RAS, Novosibirsk 90, 630090 (Russian Federation)

    2010-05-14

    The electronic parameters of the lithium thiogallate LiGaS{sub 2} have been evaluated by X-ray photoelectron spectroscopy (XPS). Spectral features of all constituent element core levels and Auger lines have been considered. The Ga-S bonding effects in Ga-bearing sulfide crystals have been discussed using binding energy difference {Delta}{sub 2p}(S-Ga) = BE(S 2p) - BE(Ga 3d) as a representative parameter to quantify the valence electron shift from gallium to sulfur atoms. The value {Delta}{sub 2p}(S-Ga) = 141.9 eV found for LiGaS{sub 2} is very close to that evaluated for AgGaS{sub 2}. This relation is an indicator of closely coincident ionicity of Ga-S bonds in LiGaS{sub 2} and AgGaS{sub 2}.

  12. Band alignment of TiO2/FTO interface determined by X-ray photoelectron spectroscopy: Effect of annealing

    Directory of Open Access Journals (Sweden)

    Haibo Fan

    2016-01-01

    Full Text Available The energy band alignment between pulsed-laser-deposited TiO2 and FTO was firstly characterized using high-resolution X-ray photoelectron spectroscopy. A valence band offset (VBO of 0.61 eV and a conduction band offset (CBO of 0.29 eV were obtained across the TiO2/FTO heterointerface. With annealing process, the VBO and CBO across the heterointerface were found to be -0.16 eV and 1.06 eV, respectively, with the alignment transforming from type-I to type-II. The difference in the band alignment is believed to be dominated by the core level down-shift of the FTO substrate, which is a result of the oxidation of Sn. Current-voltage test has verified that the band alignment has a significant effect on the current transport of the heterojunction.

  13. Photo-electron spectroscopy using synchrotron radiation of molecular radicals and fragments produced by laser photo-dissociation

    International Nuclear Information System (INIS)

    Nahon, Laurent

    1991-01-01

    This research thesis reports the combined use of a laser and of a synchrotron radiation in order to respectively photo-dissociate a molecule and to photo-ionize fragments which are analysed by photo-electron spectroscopy. This association allows, on the one hand, radical photo-ionization to be studied, and, on the other hand, polyatomic molecule photo-dissociation to be studied. The author studied the photo-excitation and/or photo-ionization in layer 4d (resp. 3d) of atomic iodine (resp. bromine) produced almost complete laser photo-dissociation of I_2 (resp. Br_2). He discuses the processes of relaxation of transitions from valence 4d to 5p (resp. 3d to 4p) which occur either by direct self-ionization or by resonant Auger effect, and reports the study of photo-dissociation of s-tetrazine (C_2N_4H_2) [fr

  14. High resolution photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Arko, A.J.

    1988-01-01

    Photoelectron Spectroscopy (PES) covers a very broad range of measurements, disciplines, and interests. As the next generation light source, the FEL will result in improvements over the undulator that are larger than the undulater improvements over bending magnets. The combination of high flux and high inherent resolution will result in several orders of magnitude gain in signal to noise over measurements using synchrotron-based undulators. The latter still require monochromators. Their resolution is invariably strongly energy-dependent so that in the regions of interest for many experiments (h upsilon > 100 eV) they will not have a resolving power much over 1000. In order to study some of the interesting phenomena in actinides (heavy fermions e.g.) one would need resolving powers of 10 4 to 10 5 . These values are only reachable with the FEL

  15. The adsorption of mercury on tungsten (100) studied by ultra-violet photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Egelhoff, W.F. Jr.; Perry, D.L.; Linnett, J.W.

    1976-01-01

    In recent years, photoelectron spectroscopy has been applied to the study of adsorption on several metal surfaces. A popular choice of substrate has been the 100 face of single crystal tungsten, since adsorption on this surface has been well-characterised by a wide variety of experimental techniques. In this letter a study of the adsorption of mercury on W(100) by ultra-violet photoelectron spectroscopy (UPS) is reported. These results, seen in the context of previous UPS studies of chemisorption, show a number of interesting features. (Auth.)

  16. Interface electronic properties of co-evaporated MAPbI{sub 3} on ZnO(0001): In situ X-ray photoelectron spectroscopy and ultraviolet photoelectron spectroscopy study

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, Xianzhong; Li, Xiaoli; Huang, Feng; Zhong, Dingyong, E-mail: dyzhong@mail.sysu.edu.cn [School of Physics and Engineering and State Key Laboratory of Optoelectronic Materials and Technologies, Sun Yat-sen University, 510275 Guangzhou (China); Liu, Yuan [Key Laboratory of Optoelectronic Materials Chemistry and Physics, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, 350002 Fuzhou (China); University of the Chinese Academy of Sciences, 100049 Beijing (China)

    2016-03-21

    In this work, the interface electronic properties of ZnO(0001)/CH{sub 3}NH{sub 3}PbI{sub 3} were investigated by both X-ray and ultraviolet photoelectron spectroscopy. The CH{sub 3}NH{sub 3}PbI{sub 3} thin films were grown on single crystalline ZnO(0001) substrate in situ by co-evaporation of PbI{sub 2} and CH{sub 3}NH{sub 3}I at room temperature with various thickness from 1.5 nm to 190 nm. It was found that the conduction band minimum of ZnO lies 0.3 eV below that of CH{sub 3}NH{sub 3}PbI{sub 3}, while the valence band maximum of ZnO lies 2.1 eV below that of CH{sub 3}NH{sub 3}PbI{sub 3}, implying that the electrons can be effectively transported from CH{sub 3}NH{sub 3}PbI{sub 3} to ZnO, and the holes can be blocked in the same time. A PbI{sub 2} rich layer was initially formed at the interface of ZnO(0001)/CH{sub 3}NH{sub 3}PbI{sub 3} during the growth. As a consequence, an interface barrier was built up which may prevent the electron transport at the interface.

  17. Hybridization and bond-orbital components in site-specific X-ray photoelectron spectra of rutile TiO2

    International Nuclear Information System (INIS)

    Woicik, J.C.; Nelson, E.J.; Kronik, Leeor; Jain, Manish; Chelikowsky, James R.; Heskett, D.; Berman, L.E.; Herman, G.S.

    2002-01-01

    We have determined the Ti and O components of the rutile TiO 2 valence band using the method of site-specific x-ray photoelectron spectroscopy. Comparisons with calculations based on pseudopotentials within the local density approximation reveal the hybridization of the Ti 3d, 4s, and 4p states, and the O 2s and 2p states on each site. These chemical effects are observed due to the large differences between the angular-momentum dependent matrix elements of the photoelectron process

  18. DEVELOPMENT OF NEXT-GENERATION DETECTORS AND INSTRUMENTATION FOR PHOTOELECTRON SPECTROSCOPY, DIFFRACTION AND HOLOGRAPHY

    International Nuclear Information System (INIS)

    Charles S. Fadley, Principal Investigator

    2005-01-01

    We have developed a new multichannel detector for use in photoelectron spectroscopy (as well as other types of high-count-rate spectroscopy) that will operate at rates of up to 1 GHz. Such detectors are crucial to the full utilization of the high-brightness radiation generated by third-generation synchrotron radiation sources. In addition, new software and hardware has been developed to permit rapidly and accurately scanning photoelectron spectra that will be accumulated in as little as a 200 micros. A versatile next-generation sample goniometer permitting equally rapid scanning of specimen angles or photon energies for angle-resolved photoemission studies, photoelectron diffraction, and photoelectron holography measurements, and cooling to below 10K has also been designed and constructed. These capabilities have been incorporated into a unique photoelectron spectrometer/diffractometer at the Advanced Light Source of the Lawrence Berkeley National Laboratory; this experimental system includes ultrahigh energy resolution, in situ rotation, variable polarization, and optional spin detection. This overall system is now being used in studies of a variety of problems including magnetic metals and oxides; metal/metal, metal/metal oxide, and metal-oxide/metal-oxide multilayers; and systems exhibiting giant and colossal magnetoresistance

  19. Total reflection X-ray photoelectron spectroscopy: A review

    International Nuclear Information System (INIS)

    Kawai, Jun

    2010-01-01

    Total reflection X-ray photoelectron spectroscopy (TRXPS) is reviewed and all the published papers on TRXPS until the end of 2009 are included. Special emphasis is on the historical development. Applications are also described for each report. The background reduction is the most important effect of total reflection, but interference effect, relation to inelastic mean free path, change of probing depth are also discussed.

  20. Electronic states of thiophene/phenylene co-oligomers: Extreme-ultra violet excited photoelectron spectroscopy observations and density functional theory calculations

    International Nuclear Information System (INIS)

    Kawaguchi, Yoshizo; Sasaki, Fumio; Mochizuki, Hiroyuki; Ishitsuka, Tomoaki; Tomie, Toshihisa; Ootsuka, Teruhisa; Watanabe, Shuji; Shimoi, Yukihiro; Yamao, Takeshi; Hotta, Shu

    2013-01-01

    We have investigated electronic states in the valence electron bands for the thin films of three thiophene/phenylene co-oligomer (TPCO) compounds, 2,5-bis(4-biphenylyl)thiophene (BP1T), 1,4-bis(5-phenylthiophen-2-yl)benzene (AC5), and 1,4-bis{5-[4-(trifluoromethyl)phenyl]thiophen-2-yl}benzene (AC5-CF 3 ), by using extreme-UV excited photoelectron spectroscopy (EUPS). By comparing both EUPS spectra and secondary electron spectra between AC5 and AC5-CF 3 , we confirm that CF 3 substitution to AC5 deepens valence states by 2 eV, and increases the ionization energy by 3 eV. From the cut-off positions of secondary electron spectra, the work functions of AC5, AC5-CF 3 , and BP1T are evaluated to be 3.8 eV, 4.8 eV, and 4.0 eV, respectively. We calculate molecular orbital (MO) energy levels by the density functional theory and compare results of calculations with those of experiments. Densities of states obtained by broadening MO levels well explain the overall features of experimental EUPS spectra of three TPCOs.

  1. X-ray-excited Auger and photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Weightman, P.

    1982-01-01

    This article reviews developments in the understanding of x-ray-excited Auger and photoelectron spectra in the light of theoretical developments in atomic, molecular and solid-state physics. After reviewing progress in XPS and AES separately emphasis is placed on the inter-relationship between the two fields: Auger rates, for example, are the dominant contribution to core-level XPS linewidths and by combining XPS and AES it is possible to deduce information about Coster-Kronig processes which are difficult to study directly. An account is given of how the combination of measurements of environmentally dependent shifts in XPS and AES energies allows one to isolate initial- and final-state contributions which can then be related to the results of other experimental techniques. There is a brief discussion of many-electron effects and a discussion of how the combination of XPS and AES spectra involving valence levels enables the effects of hole-state localisation to be studied. (author)

  2. Band alignment of TiO{sub 2}/FTO interface determined by X-ray photoelectron spectroscopy: Effect of annealing

    Energy Technology Data Exchange (ETDEWEB)

    Fan, Haibo, E-mail: hbfan@nwu.edu.cn, E-mail: liusz@snnu.edu.cn [Key Laboratory of Applied Surface and Colloid Chemistry, National Ministry of Education, Shaanxi Engineering Lab for Advanced Energy Technology, School of Materials Science and Engineering, Shaanxi Normal University, Xi’an 710119 (China); School of Physics, Northwest University, Xi’an 710069 (China); Yang, Zhou; Ren, Xianpei; Gao, Fei [Key Laboratory of Applied Surface and Colloid Chemistry, National Ministry of Education, Shaanxi Engineering Lab for Advanced Energy Technology, School of Materials Science and Engineering, Shaanxi Normal University, Xi’an 710119 (China); Yin, Mingli [Key Laboratory of Applied Surface and Colloid Chemistry, National Ministry of Education, Shaanxi Engineering Lab for Advanced Energy Technology, School of Materials Science and Engineering, Shaanxi Normal University, Xi’an 710119 (China); School of Science, Xi’an Technological University, Xi’an, Shaanxi 710062 (China); Liu, Shengzhong, E-mail: hbfan@nwu.edu.cn, E-mail: liusz@snnu.edu.cn [Key Laboratory of Applied Surface and Colloid Chemistry, National Ministry of Education, Shaanxi Engineering Lab for Advanced Energy Technology, School of Materials Science and Engineering, Shaanxi Normal University, Xi’an 710119 (China); Dalian Institute of Chemical Physics, Dalian National Laboratory for Clean Energy, Chinese Academy of Sciences, Dalian, 116023 (China)

    2016-01-15

    The energy band alignment between pulsed-laser-deposited TiO{sub 2} and FTO was firstly characterized using high-resolution X-ray photoelectron spectroscopy. A valence band offset (VBO) of 0.61 eV and a conduction band offset (CBO) of 0.29 eV were obtained across the TiO{sub 2}/FTO heterointerface. With annealing process, the VBO and CBO across the heterointerface were found to be -0.16 eV and 1.06 eV, respectively, with the alignment transforming from type-I to type-II. The difference in the band alignment is believed to be dominated by the core level down-shift of the FTO substrate, which is a result of the oxidation of Sn. Current-voltage test has verified that the band alignment has a significant effect on the current transport of the heterojunction.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-04-15

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

  4. Photoelectron spectrum of valence anions of uracil and first-principles calculations of excess electron binding energies.

    Science.gov (United States)

    Bachorz, Rafał A; Klopper, Wim; Gutowski, Maciej; Li, Xiang; Bowen, Kit H

    2008-08-07

    The photoelectron spectrum (PES) of the uracil anion is reported and discussed from the perspective of quantum chemical calculations of the vertical detachment energies (VDEs) of the anions of various tautomers of uracil. The PES peak maximum is found at an electron binding energy of 2.4 eV, and the width of the main feature suggests that the parent anions are in a valence rather than a dipole-bound state. The canonical tautomer as well as four tautomers that result from proton transfer from an NH group to a C atom were investigated computationally. At the Hartree-Fock and second-order Moller-Plesset perturbation theory levels, the adiabatic electron affinity (AEA) and the VDE have been converged to the limit of a complete basis set to within +/-1 meV. Post-MP2 electron-correlation effects have been determined at the coupled-cluster level of theory including single, double, and noniterative triple excitations. The quantum chemical calculations suggest that the most stable valence anion of uracil is the anion of a tautomer that results from a proton transfer from N1H to C5. It is characterized by an AEA of 135 meV and a VDE of 1.38 eV. The peak maximum is as much as 1 eV larger, however, and the photoelectron intensity is only very weak at 1.38 eV. The PES does not lend support either to the valence anion of the canonical tautomer, which is the second most stable anion, and whose VDE is computed at about 0.60 eV. Agreement between the peak maximum and the computed VDE is only found for the third most stable tautomer, which shows an AEA of approximately -0.1 eV and a VDE of 2.58 eV. This tautomer results from a proton transfer from N3H to C5. The results illustrate that the characteristics of biomolecular anions are highly dependent on their tautomeric form. If indeed the third most stable anion is observed in the experiment, then it remains an open question why and how this species is formed under the given conditions.

  5. Band alignment of InGaZnO4/Si interface by hard x-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Lee, Kyeongmi; Kamiya, Toshio; Nomura, Kenji; Yanagi, Hiroshi; Ikenaga, Eiji; Sugiyama, Takeharu; Kobayashi, Keisuke; Hosono, Hideo

    2012-01-01

    Although amorphous InGaZnO 4 has intensively been studied for a semiconductor channel material of thin-film transistors in next-generation flat-panel displays, its electronic structure parameters have not been reported. In this work, the electron affinities (χ) and the ionization potentials (I p ) of crystalline and amorphous InGaZnO 4 (c-IGZO and a-IGZO) were measured using bulk-sensitive hard x-ray photoelectron spectroscopy. First, the χ and I p values of c-IGZO and a-IGZO thin films were estimated by aligning the Zn 2p 3/2 core level energies to a literature value for ZnO, which provided χ = 3.90 eV and I p = 7.58 eV for c-IGZO and 4.31 eV and 7.41 eV for a-IGZO. It was also confirmed that the escape depth of the photoelectrons excited by the photon energy of 5950.2 eV is 3.3 nm for a-IGZO and large enough for directly measuring the interface electronic structure using a-IGZO/c-Si heterojunctions. It provided the valence band offset of ∼2.3 eV, which agrees well with the above data. The present results substantiate that the a-IGZO/c-Si interface follows well the Schottky-Mott rule.

  6. Recent applications of hard x-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-05-15

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

  7. Electronic structure of the L-cysteine films on dental alloys studied by ultraviolet photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Ogawa, K; Takahashi, K; Azuma, J; Kamada, M; Tsujibayashi, T; Ichimiya, M

    2013-01-01

    The valence electronic structures of the dental alloys, type 1, type 3, K14, and MC12 and their interaction with L-cysteine have been studied by ultraviolet photoelectron spectroscopy with synchrotron radiation. It was found that the electronic structures of the type-1 and type-3 dental alloys are similar to that of polycrystalline Au, while that of the K14 dental alloy is much affected by Cu. The electronic states of the MC12 dental alloy originate dominantly from Cu 3d states and Pd 4d states around the top of the valence bands, while the 4∼7-eV electronic structure of MC12 originates from the Ag 4d states. The peak shift and the change in shape due to alloying are observed in all the dental alloys. For the L-cysteine thin films, new peak or structure observed around 2 eV on all the dental alloys is suggested to be due to the bonding of S 3sp orbitals with the dental alloy surfaces. The Cu-S bond as well as the Au-S and Au-O bonds may cause the change in the electronic structure of the L-cysteine on type 1, type 3 and K14. For MC12, the interaction with L-cysteine may be dominantly due to the Pd-S, Cu-S, and Ag-O bonds, while the contribution of the Ag-S bond is small.

  8. Energy- and angled-resolved photoelectron spectroscopy of negative ions

    International Nuclear Information System (INIS)

    Pegg, D.J.; Thompson, J.S.; Compton, R.N.; Alton, G.D.

    1988-01-01

    Energy- and angle-resolved photoelectron detachment spectroscopy is currently being used to investigate the structure of negative ions and their interaction with radiation. Measurements of the electron affinity of the Ca atom and the partial cross sections for photodetachment of the metastable negative ion, He - (1s2s2p 4 P), are reported. 5 refs., 5 figs

  9. Band formation in xenon-argon alloys studied by photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Nuernberger, R.; Himpsel, F.J.; Schwentner, N.; Koch, E.E.

    1977-01-01

    Photoelectron energy distribution curves for Xenon-Argon alloys for concentrations ranging from 0-100% have been measured by excitation with synchrotron radiation at hupsilon = 13.8 eV, 16.5 eV and 18.0 eV. With increasing Xe concentration the gradual formation of Xe valence bands starting from the atomic Xe 5p 1 / 2 and Xe 5p 3 / 2 states is observed. Similarly with Ar the 3p states are broadened with increasing Ar concentration. Rather high concentrations of Xe or Ar are necessary in order to reach the fully developed Xe or Ar bands respectively. The results are discussed in terms of a concentration dependent tightbinding bandstructure. (orig.) [de

  10. Photoelectron spectroscopy on the charge reorganization energy and small polaron binding energy of molecular film

    Energy Technology Data Exchange (ETDEWEB)

    Kera, Satoshi, E-mail: kera@ims.ac.jp [Institute for Molecular Science, Myodaiji, Okazaki 444-8585 (Japan); Department of Nanomaterial Science, Graduate School of Advanced Integration Science, Chiba University, Inage-ku, Chiba 263-8522 (Japan); Ueno, Nobuo [Department of Nanomaterial Science, Graduate School of Advanced Integration Science, Chiba University, Inage-ku, Chiba 263-8522 (Japan)

    2015-10-01

    Understanding of electron-phonon coupling as well as intermolecular interaction is required to discuss the mobility of charge carrier in functional molecular solids. This article summarizes recent progress in direct measurements of valence hole-vibration coupling in ultrathin films of organic semiconductors by using ultraviolet photoelectron spectroscopy (UPS). The experimental study of hole-vibration coupling of the highest occupied molecular orbital (HOMO) state in ordered monolayer film by UPS is essential to comprehend hole-hopping transport and small-polaron related transport in organic semiconductors. Only careful measurements can attain the high-resolution spectra and provide key parameters in hole-transport dynamics, namely the charge reorganization energy and small polaron binding energy. Analyses methods of the UPS HOMO fine feature and resulting charge reorganization energy and small polaron binding energy are described for pentacene and perfluoropentacene films. Difference between thin-film and gas-phase results is discussed by using newly measured high-quality gas-phase spectra of pentacene. Methodology for achieving high-resolution UPS measurements for molecular films is also described.

  11. Measurement of core level and band offsets at the interface of ITO/Hg{sub 3}In{sub 2}Te{sub 6}(1 1 0) heterojunction by synchrotron radiation photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Li, Yapeng [State Key Laboratory of Solidification Processing, School of Materials Science and Engineering, Northwestern Polytechnical University, Xi’an 710072 (China); Fu, Li, E-mail: fuli@nwpu.edu.cn [State Key Laboratory of Solidification Processing, School of Materials Science and Engineering, Northwestern Polytechnical University, Xi’an 710072 (China); Sun, Jie [State Key Laboratory of Solidification Processing, School of Materials Science and Engineering, Northwestern Polytechnical University, Xi’an 710072 (China); Ibrahim, Kurash; Wang, Jia-ou [Laboratory of Synchrotron Radiation, Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100039 (China)

    2016-02-15

    Highlights: • The valence band maximum of ITO film and MIT were measured to be 1.6 eV and 0.6 eV, respectively. • The concentration of In element presented a trend of increasing first and then decreasing from MIT to ITO. • The valence band offsets of the ITO/MIT(1 1 0) heterojunction was confirmed to be a type-II band alignment phenomenon. - Abstract: The Indium Tin Oxide (ITO) film was deposited on the surface of Hg{sub 3}In{sub 2}Te{sub 6} (short for MIT) (1 1 0) for the fabrication of ITO/MIT(1 1 0) heterojunction by using the pulsed laser deposition method. In situ X-ray photoelectron spectroscopy was utilized to examine the band offsets and core level of ITO/MIT(1 1 0) heterojunctions. The result showed that the valence band maximum of ITO films and MIT(1 1 0) were 1.6 eV and 0.6 eV, respectively. Meanwhile, it was found that the binding energy of Te 3d, Sn 3d and Hg 4f remained unchanged during the ITO deposition process. However, the binding energy of O 1s and In 3d{sub 5/2} increased about 0.3 eV and 0.2 eV, respectively, with the thickness increasing of ITO film from 3.5 nm to 5 nm. This may due to the elements diffusion at the interface region during the film growing process. According to the core level spectrum, it can be speculated that no significant chemical reaction occurred at the interface of ITO/MIT(1 1 0). In addition, the valence band offset of the ITO/MIT(1 1 0) heterojunction can be calculated to be −1 ± 0.15 eV by the means of the photoelectron spectroscopy methods. The conduction band offset is deduced to be −3.96 ± 0.15 eV from the known valence band offset value, indicating that the band offsets of ITO/MIT(1 1 0) heterojunction is a type-II band alignment.

  12. Ultrafast soft X-ray photoelectron spectroscopy at liquid water microjets.

    Science.gov (United States)

    Faubel, M; Siefermann, K R; Liu, Y; Abel, B

    2012-01-17

    Since the pioneering work of Kai Siegbahn, electron spectroscopy for chemical analysis (ESCA) has been developed into an indispensable analytical technique for surface science. The value of this powerful method of photoelectron spectroscopy (PES, also termed photoemission spectroscopy) and Siegbahn's contributions were recognized in the 1981 Nobel Prize in Physics. The need for high vacuum, however, originally prohibited PES of volatile liquids, and only allowed for investigation of low-vapor-pressure molecules attached to a surface (or close to a surface) or liquid films of low volatility. Only with the invention of liquid beams of volatile liquids compatible with high-vacuum conditions was PES from liquid surfaces under vacuum made feasible. Because of the ubiquity of water interfaces in nature, the liquid water-vacuum interface became a most attractive research topic, particularly over the past 10 years. PES studies of these important aqueous interfaces remained significantly challenging because of the need to develop high-pressure PES methods. For decades, ESCA or PES (termed XPS, for X-ray photoelectron spectroscopy, in the case of soft X-ray photons) was restricted to conventional laboratory X-ray sources or beamlines in synchrotron facilities. This approach enabled frequency domain measurements, but with poor time resolution. Indirect access to time-resolved processes in the condensed phase was only achieved if line-widths could be analyzed or if processes could be related to a fast clock, that is, reference processes that are fast enough and are also well understood in the condensed phase. Just recently, the emergence of high harmonic light sources, providing short-wavelength radiation in ultrashort light pulses, added the dimension of time to the classical ESCA or XPS technique and opened the door to (soft) X-ray photoelectron spectroscopy with ultrahigh time resolution. The combination of high harmonic light sources (providing radiation with laserlike

  13. Band alignment study of lattice-matched In{sub 0.49}Ga{sub 0.51}P and Ge using x-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Owen, Man Hon Samuel, E-mail: m.owen.sg@ieee.org, E-mail: yeo@ieee.org; Zhou, Qian; Gong, Xiao; Yeo, Yee-Chia, E-mail: m.owen.sg@ieee.org, E-mail: yeo@ieee.org [Department of Electrical and Computer Engineering, National University of Singapore, Singapore 119260 (Singapore); Zhang, Zheng; Pan, Ji Sheng [Institute of Materials Research and Engineering, A*STAR (Agency for Science, Technology and Research), 3 Research Link, Singapore 117602 (Singapore); Loke, Wan Khai; Wicaksono, Satrio; Yoon, Soon Fatt [School of Electrical and Electronic Engineering, Nanyang Technological University (NTU), Nanyang Avenue, Singapore 639798 (Singapore); Tok, Eng Soon [Department of Physics, National University of Singapore, Singapore 117551 (Singapore)

    2014-09-08

    Lattice-matched In{sub 0.49}Ga{sub 0.51}P was grown on a p-type Ge(100) substrate with a 10° off-cut towards the (111) by low temperature molecular beam epitaxy, and the band-alignment of In{sub 0.49}Ga{sub 0.51}P on Ge substrate was obtained by high resolution x-ray photoelectron spectroscopy. The valence band offset for the InGaP/Ge(100) interface was found to be 0.64 ± 0.12 eV, with a corresponding conduction band offset of 0.60 ± 0.12 eV. The InGaP/Ge interface is found to be of the type I band alignment.

  14. Ultrafast photoelectron spectroscopy of small molecule organic films

    Science.gov (United States)

    Read, Kendall Laine

    As research in the field of ultrafast optics has produced shorter and shorter pulses, at an ever-widening range of frequencies, ultrafast spectroscopy has grown correspondingly. In particular, ultrafast photoelectron spectroscopy allows direct observation of electrons in transient or excited states, regardless of the eventual relaxation mechanisms. High-harmonic conversion of 800nm, femtosecond, Ti:sapphire laser pulses allows excite/probe spectroscopy down into atomic core level states. To this end, an ultrafast, X-UV photoelectron spectroscopic system is described, including design considerations for the high-harmonic generation line, the time of flight detector, and the subsequent data collection electronics. Using a similar experimental setup, I have performed several ultrafast, photoelectron excited state decay studies at the IBM, T. J. Watson Research Center. All of the observed materials were electroluminescent thin film organics, which have applications as the emitter layer in organic light emitting devices. The specific materials discussed are: Alq, BAlq, DPVBi, and Alq doped with DCM or DMQA. Alq:DCM is also known to lase at low photoexcitation thresholds. A detailed understanding of the involved relaxation mechanisms is beneficial to both applications. Using 3.14 eV excite, and 26.7 eV probe, 90 fs laser pulses, we have observed the lowest unoccupied molecular orbital (LUMO) decay rate over the first 200 picoseconds. During this time, diffusion is insignificant, and all dynamics occur in the absence of electron transport. With excitation intensities in the range of 100μJ/cm2, we have modeled the Alq, BAlq, and DPVBi decays via bimolecular singlet-singlet annihilation. At similar excitations, we have modeled the Alq:DCM decay via Förster transfer, stimulated emission, and excimeric formation. Furthermore, the Alq:DCM occupied to unoccupied molecular orbital energy gap was seen to shrink as a function of excite-to-probe delay, in accordance with the

  15. Graphene Membranes for Atmospheric Pressure Photoelectron Spectroscopy.

    Science.gov (United States)

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

    2016-05-05

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

  16. Time-resolved photoelectron spectroscopy using synchrotron radiation time structure

    International Nuclear Information System (INIS)

    Bergeard, N.; Silly, M.G.; Chauvet, C.; Guzzo, M.; Ricaud, J.P.; Izquierdo, M.; Sirotti, F.; Krizmancic, D.; Guzzo, M.; Stebel, L.; Pittana, P.; Sergo, R.; Cautero, G.; Dufour, G.; Rochet, F.

    2011-01-01

    Synchrotron radiation time structure is becoming a common tool for studying dynamic properties of materials. The main limitation is often the wide time domain the user would like to access with pump-probe experiments. In order to perform photoelectron spectroscopy experiments over time scales from milliseconds to picoseconds it is mandatory to measure the time at which each measured photoelectron was created. For this reason the usual CCD camera based two-dimensional detection of electron energy analyzers has been replaced by a new delay-line detector adapted to the time structure of the SOLEIL synchrotron radiation source. The new two-dimensional delay-line detector has a time resolution of 5 ns and was installed on a Scienta SES 2002 electron energy analyzer. The first application has been to characterize the time of flight of the photo emitted electrons as a function of their kinetic energy and the selected pass energy. By repeating the experiment as a function of the available pass energy and of the kinetic energy, a complete characterization of the analyzer behaviour in the time domain has been obtained. Even for kinetic energies as low as 10 eV at 2 eV pass energy, the time spread of the detected electrons is lower than 140 ns. These results and the time structure of the SOLEIL filling modes assure the possibility of performing pump-probe photoelectron spectroscopy experiments with the time resolution given by the SOLEIL pulse width, the best performance of the beamline and of the experimental station. (authors)

  17. Holographic Reconstruction of Photoelectron Diffraction and Its Circular Dichroism for Local Structure Probing

    Science.gov (United States)

    Matsui, Fumihiko; Matsushita, Tomohiro; Daimon, Hiroshi

    2018-06-01

    The local atomic structure around a specific element atom can be recorded as a photoelectron diffraction pattern. Forward focusing peaks and diffraction rings around them indicate the directions and distances from the photoelectron emitting atom to the surrounding atoms. The state-of-the-art holography reconstruction algorithm enables us to image the local atomic arrangement around the excited atom in a real space. By using circularly polarized light as an excitation source, the angular momentum transfer from the light to the photoelectron induces parallax shifts in these diffraction patterns. As a result, stereographic images of atomic arrangements are obtained. These diffraction patterns can be used as atomic-site-resolved probes for local electronic structure investigation in combination with spectroscopy techniques. Direct three-dimensional atomic structure visualization and site-specific electronic property analysis methods are reviewed. Furthermore, circular dichroism was also found in valence photoelectron and Auger electron diffraction patterns. The investigation of these new phenomena provides hints for the development of new techniques for local structure probing.

  18. Electronic structure of the dilute magnetic semiconductor G a1 -xM nxP from hard x-ray photoelectron spectroscopy and angle-resolved photoemission

    Science.gov (United States)

    Keqi, A.; Gehlmann, M.; Conti, G.; Nemšák, S.; Rattanachata, A.; Minár, J.; Plucinski, L.; Rault, J. E.; Rueff, J. P.; Scarpulla, M.; Hategan, M.; Pálsson, G. K.; Conlon, C.; Eiteneer, D.; Saw, A. Y.; Gray, A. X.; Kobayashi, K.; Ueda, S.; Dubon, O. D.; Schneider, C. M.; Fadley, C. S.

    2018-04-01

    We have investigated the electronic structure of the dilute magnetic semiconductor (DMS) G a0.98M n0.02P and compared it to that of an undoped GaP reference sample, using hard x-ray photoelectron spectroscopy (HXPS) and hard x-ray angle-resolved photoemission spectroscopy (HARPES) at energies of about 3 keV. We present experimental data, as well as theoretical calculations, to understand the role of the Mn dopant in the emergence of ferromagnetism in this material. Both core-level spectra and angle-resolved or angle-integrated valence spectra are discussed. In particular, the HARPES experimental data are compared to free-electron final-state model calculations and to more accurate one-step photoemission theory. The experimental results show differences between G a0.98M n0.02P and GaP in both angle-resolved and angle-integrated valence spectra. The G a0.98M n0.02P bands are broadened due to the presence of Mn impurities that disturb the long-range translational order of the host GaP crystal. Mn-induced changes of the electronic structure are observed over the entire valence band range, including the presence of a distinct impurity band close to the valence-band maximum of the DMS. These experimental results are in good agreement with the one-step photoemission calculations and a prior HARPES study of G a0.97M n0.03As and GaAs [Gray et al., Nat. Mater. 11, 957 (2012), 10.1038/nmat3450], demonstrating the strong similarity between these two materials. The Mn 2 p and 3 s core-level spectra also reveal an essentially identical state in doping both GaAs and GaP.

  19. Hexamethylcyclopentadiene: time-resolved photoelectron spectroscopy and ab initio multiple spawning simulations

    DEFF Research Database (Denmark)

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

    2014-01-01

    comparing time-resolved photoelectron spectroscopy (TRPES) with ab initio multiple spawning (AIMS) simulations on the MS-MR-CASPT2 level of theory. We disentangle the relationship between two phenomena that dominate the immediate molecular response upon light absorption: a spectrally dependent delay...

  20. Carbon-13 spin lattice relaxation and photoelectron spectroscopy of some aromatic sulphides and sulphones

    International Nuclear Information System (INIS)

    Mellink, W.A.

    1978-01-01

    Carbon-13 NMR spectroscopy and photoelectron spectroscopy have been used to study the electronic structure of symmetric dithienothiophenes and corresponding sulphones. The physical data obtained from both spectroscopic techniques have been interpreted with the aid of quantum mechanical calculations. (Auth.)

  1. Study of transition metal oxides by photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Rao, C.N.R.; Sarma, D.D.; Vasudevan, S.; Hegde, M.S.

    1979-01-01

    Systematics in the X-ray photoelectron spectra (X.p.e.s.) of Ti, V, Cr, Mn and Nb oxides with the metal ion in different oxidation states as well as of related series of mono-, sesqui- and di-oxides of the first row of transition metals have been investigated in detail. Core level binding energies, spin-orbit splittings and exchange splittings are found to exhibit interesting variations with the oxidation state of the metal or the nuclear charge. The 3d binding energies of the monoxides show a proportionality to Goodenough's (R - RC). Other aspects of interest in the study are the satellite structure and final state effects in the X.p.e.s. of the oxides, and identification of different valence states in oxides of the general formulae Mn02n-1 and M304. The nature of changes in the 3d bands of oxides undergoing metal-insulator transitions is also indicated. (author)

  2. Growth and trends in Auger-electron spectroscopy and x-ray photoelectron spectroscopy for surface analysis

    International Nuclear Information System (INIS)

    Powell, C.J.

    2003-01-01

    A perspective is given of the development and use of surface analysis, primarily by Auger-electron spectroscopy (AES) and x-ray photoelectron spectroscopy (XPS), for solving scientific and technological problems. Information is presented on growth and trends in instrumental capabilities, instrumental measurements with reduced uncertainties, knowledge of surface sensitivity, and knowledge and effects of sample morphology. Available analytical resources are described for AES, XPS, and secondary-ion mass spectrometry. Finally, the role of the American Vacuum Society in stimulating improved surface analyses is discussed

  3. Development of an Apparatus for High-Resolution Auger Photoelectron Coincidence Spectroscopy (APECS) and Electron Ion Coincidence (EICO) Spectroscopy

    Science.gov (United States)

    Kakiuchi, Takuhiro; Hashimoto, Shogo; Fujita, Narihiko; Mase, Kazuhiko; Tanaka, Masatoshi; Okusawa, Makoto

    We have developed an electron electron ion coincidence (EEICO) apparatus for high-resolution Auger photoelectron coincidence spectroscopy (APECS) and electron ion coincidence (EICO) spectroscopy. It consists of a coaxially symmetric mirror electron energy analyzer (ASMA), a miniature double-pass cylindrical mirror electron energy analyzer (DP-CMA), a miniature time-of-flight ion mass spectrometer (TOF-MS), a magnetic shield, an xyz stage, a tilt-adjustment mechanism, and a conflat flange with an outer diameter of 203 mm. A sample surface was irradiated by synchrotron radiation, and emitted electrons were energy-analyzed and detected by the ASMA and the DP-CMA, while desorbed ions were mass-analyzed and detected by the TOF-MS. The performance of the new EEICO analyzer was evaluated by measuring Si 2p photoelectron spectra of clean Si(001)-2×1 and Si(111)-7×7, and by measuring Si-L23VV-Si-2p Auger photoelectron coincidence spectra (Si-L23VV-Si-2p APECS) of clean Si(001)-2×1.

  4. Soft X-ray photoemission spectroscopy of selected neurotransmitters in the gas phase

    Energy Technology Data Exchange (ETDEWEB)

    Maris, Assimo; Melandri, Sonia; Evangelisti, Luca; Caminati, Walther [Dipartimento di Chimica ' G. Ciamician' dell' Universita, Via Selmi 2, I-40126 Bologna (Italy); Giuliano, Barbara M. [Departamento de Quimica da Universidade de Coimbra, 3004-535 Coimbra (Portugal); Plekan, Oksana [Sincrotrone Trieste, in Area Science Park, I-34149 Basovizza, Trieste (Italy); Feyer, Vitaliy [Sincrotrone Trieste, in Area Science Park, I-34149 Basovizza, Trieste (Italy); Electronic Properties (PGI-6), Peter Gruenberg Institute, Forschungszentrum Juelich GmbH, Leo-Brandt-Strasse, 52428 Juelich (Germany); Richter, Robert [Sincrotrone Trieste, in Area Science Park, I-34149 Basovizza, Trieste (Italy); Coreno, Marcello [CNR-IMIP, Montelibretti, I-00016 Rome (Italy); Prince, Kevin C., E-mail: kevin.prince@elettra.trieste.it [Sincrotrone Trieste, in Area Science Park, I-34149 Basovizza, Trieste (Italy); CNR-IOM, Laboratorio TASC, I-34149 Basovizza, Trieste (Italy)

    2012-09-15

    Highlights: Black-Right-Pointing-Pointer Neurotransmitter molecules. Black-Right-Pointing-Pointer Photoelectron spectroscopy. Black-Right-Pointing-Pointer Electronic structure. Black-Right-Pointing-Pointer Weak hydrogen bonding. -- Abstract: The valence molecular orbitals and core levels of tyramine, tryptamine and tryptophol in the gas phase have been studied using X-ray photoelectron spectroscopy (XPS) and theoretical methods. The energies of the outer valence region spectrum are found to be in agreement with previously reported He I spectra, while new data on the inner valence molecular orbitals are reported. The structures in the carbon, nitrogen and oxygen core level spectra of these molecules have been identified and assigned. These compounds are characterised by conformers with hydrogen bonding in which the {pi} systems of the phenol and indole groups act as hydrogen acceptors, but a spectroscopic signature of this hydrogen bond was not observed. This is in contrast with our previous spectra of amino acids, where conformers with specific hydrogen bonding showed strong effects in core level spectra. We attribute the difference to the weaker strength of the {pi}-hydrogen bonding.

  5. X-Ray Photoelectron Spectroscopic Characterization of Iron Oxide Nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Radu, T., E-mail: Teodora.Radu@itim-cj.ro [National Institute for Research and Development of Isotopic and Molecular Technologies, 67-103 Donat Street, 400293, Cluj Napoca (Romania); Iacovita, C. [Department of Pharmaceutical Physics-Biophysics, Faculty of Pharmacy, “Iuliu Hatieganu” University of Medicine and Pharmacy, 400349, Cluj-Napoca (Romania); Benea, D. [Faculty of Physics, Babes Bolyai University, 400271, Cluj-Napoca (Romania); Turcu, R. [National Institute for Research and Development of Isotopic and Molecular Technologies, 67-103 Donat Street, 400293, Cluj Napoca (Romania)

    2017-05-31

    Highlights: • Characterization of three types of iron oxides magnetic nanoparticles. • A correlation between valence band XPS and the degree of iron oxidation is proposed. • Theoretical contributions of Fe in tetragonal and octahedral environment are shown. - Abstract: We report X-ray photoelectron spectroscopy (XPS) results on iron oxide magnetic nanoparticle (Fe{sub 3}O{sub 4}) synthesized using solvothermal reduction in the presence of polyethylene glycol. The magnetite obtained was employed as precursor for the synthesis of γ-Fe{sub 2}O{sub 3} (by oxygen dissociation) which in turn was transformed into α-Fe{sub 2}O{sub 3}. We confirmed the magnetite, maghemite and hematite structure by Fourier Transformed Spectroscopy (FTIR) and X-ray diffraction (XRD). The analysis of the XPS core level and valence band (VB) photoemission spectra for all investigated samples is discussed in terms of the degree of iron oxidation. This is of fundamental importance to better understand the electronic structure of the obtained iron oxide nanoparticles in order to control and improve their quality for specific biomedical applications. Moreover, theoretical band structure calculations are performed for magnetite and the separate contributions of Fe in tetragonal and octahedral environment are shown.

  6. Characterization of the electronic structure of C50Cl10 by means of soft x-ray spectroscopies

    International Nuclear Information System (INIS)

    Brena, Barbara; Luo Yi

    2005-01-01

    The electronic structure of the last synthesized fullerene molecule, the C 50 Cl 10 , has been characterized by theoretical simulation of x-ray photoelectron spectroscopy, ultraviolet photoelectron spectroscopy, and near-edge x-ray-absorption fine structure. All the calculations were performed at the gradient-corrected and hybrid density-functional theory levels. The combination of these techniques provides detailed information about the valence band and the unoccupied molecular orbitals, as well as about the carbon core orbitals

  7. Investigation of valence inter-multiplet Auger transitions in Ne following 1s photoelectron recapture

    International Nuclear Information System (INIS)

    De Fanis, A; Pruemper, G; Hergenhahn, U; Kukk, E; Tanaka, T; Kitajima, M; Tanaka, H; Fritzsche, S; Kabachnik, N M; Ueda, K

    2005-01-01

    We employ a novel technique in which highly excited Rydberg states of Ne + 2p 4n p are populated via PCI-induced recapture of the near-threshold 1s photoelectron (De Fanis et al 2004 Phys. Rev. A 70 040702) to investigate valence inter-multiplet Auger transitions. The following series of the transitions have been observed: Ne + 2p 4 ( 1 D)np 2 L → Ne 2+ 2p 4 3 P J , Ne + 2p 4 ( 1 S)np 2 P →Ne 2+ 2p 4 3 P J and Ne + 2p 4 ( 1 S)np 2 P →Ne 2+ 2p 4 1 D. Their energy positions, quantum defects and the anisotropy parameters of the Auger electron emission have been determined. Experimental results are in good agreement with multi-configuration Dirac-Fock calculations carried out as a part of this study. The importance of interference effects for decays via naturally overlapping fine-structure components of the intermediate state is discussed

  8. Negative ion photoelectron spectroscopy of SeO-

    International Nuclear Information System (INIS)

    Coe, J.V.; Snodgrass, J.T.; Freidhoff, C.B.; McHugh, K.M.; Bowen, K.H.

    1985-01-01

    Negative ion photoelectron spectroscopy (NIPES) involves a kinetic energy analysis of electrons which are photodetached when a mass selected beam of negative ions is crossed with a fixed frequency laser beam. The photodetachment spectra of SeO - displays transitions from the X 2 PI state of SeO - to both the X 3 Σ - and a 1 Δ states of SeO. The singlet-triplet splitting of SeO is readily observable since selection rules regarding spin do not apply in the bound to free state process of photodetachment. The electron affinity of SeO and the negative ion potential parameters of SeO - have been determined

  9. X-ray photoelectron spectroscopy of high-temperature superconductor clean surfaces and interfaces

    International Nuclear Information System (INIS)

    Hill, D.M.

    1989-01-01

    X-ray photoelectron spectroscopy was used to determine the characteristic spectra for the high temperature superconductors La 1.85 Sr 0.15 CuO 4 , YBa 2 Cu 3 O 7-x , and Bi 2 Sr 2-x Ca 1+x Cu 2 O 8+y and their impurity phases. The oxidation state of Cu in all of these materials was predominantly Cu 2+ . The O 1s emission for clean surfaces was a single broad peak near 529 eV derived from emission from inequivalent O sites in the superconductors. The valence bands were a -6 eV wide manifold of Cu 3d-O 2p hybrid bands in the ∼ 1-7 eV binding energy range, with very low emission at E F arising from antibonding Cu 3d-O 2p orbitals. Emission from grain boundary and other impurity phases appeared at 531 eV for the O 1s core level, and in general ∼ 1-2 eV higher energy than the superconductor peak for other core levels except for Cu 2p. Impurity phases appeared in the valence bands as a shoulder at ∼ 5 eV. The amount of impurities detected was shown to be dependent on the fracture properties of the superconductors. All of the materials were shown to be stable under vacuum. The products and spatial extent of chemical reactions with Ag, Al, Al oxide, Au, Bi, Bi oxide, CaF 2 , Cu, Fe, Si, and Si oxide overlayers on these materials also were examined. Au, CaF 2 , and metal oxides deposited by activated oxidation during evaporation were non-reactive and non-disruptive of the superconductor surfaces. Ag overlayers were unique in that they disrupted the superconductor during deposition, but exhibited no evidence of any chemical reactions. Overlayers with an affinity for oxygen withdrew O from the superconductor. The O loss occurred preferentially from Cu atoms in the superconductor and disrupted the planar bonding structure

  10. Laser-produced lithium plasma as a narrow-band extended ultraviolet radiation source for photoelectron spectroscopy.

    Science.gov (United States)

    Schriever, G; Mager, S; Naweed, A; Engel, A; Bergmann, K; Lebert, R

    1998-03-01

    Extended ultraviolet (EUV) emission characteristics of a laser-produced lithium plasma are determined with regard to the requirements of x-ray photoelectron spectroscopy. The main features of interest are spectral distribution, photon flux, bandwidth, source size, and emission duration. Laser-produced lithium plasmas are characterized as emitters of intense narrow-band EUV radiation. It can be estimated that the lithium Lyman-alpha line emission in combination with an ellipsoidal silicon/molybdenum multilayer mirror is a suitable EUV source for an x-ray photoelectron spectroscopy microscope with a 50-meV energy resolution and a 10-mum lateral resolution.

  11. The Synthesis of NiO/TiO2 Heterostructures and Their Valence Band Offset Determination

    Directory of Open Access Journals (Sweden)

    Z. H. Ibupoto

    2014-01-01

    Full Text Available In this work, a heterojunction based on p-type NiO/n-type TiO2 nanostructures has been prepared on the fluorine doped tin oxide (FTO glass substrate by hydrothermal method. Scanning electron microscopy (SEM and X-Ray diffraction techniques were used for the morphological and crystalline arrays characterization. The X-ray photoelectron spectroscopy was employed to determine the valence-band offset (VBO of the NiO/TiO2 heterojunction prepared on FTO glass substrate. The core levels of Ni 2p and Ti 2p were utilized to align the valence-band offset of p-type NiO/n-type TiO2 heterojunction. The valence band offset was found to be ∼0.41 eV and the conduction band was calculated about ∼0.91 eV. The ratio of conduction band offset and the valence-band offset was found to be 2.21.

  12. Understanding interface properties from high kinetic energy photoelectron spectroscopy and first principles theory

    International Nuclear Information System (INIS)

    Granroth, Sari; Olovsson, Weine; Holmstroem, Erik; Knut, Ronny; Gorgoi, Mihaela; Svensson, Svante; Karis, Olof

    2011-01-01

    Advances in instrumentation regarding 3rd generation synchrotron light sources and electron spectrometers has enabled the field of high kinetic energy photoelectron spectroscopy (HIKE) (also often denoted hard X-ray photoelectron spectroscopy (HX-PES or HAXPES)). Over the last years, the amount of investigations that relies on the HIKE method has increased dramatically and can arguably be said to have given a rebirth of the interest in photoelectron spectroscopy in many areas. It is in particular the much increased mean free path at higher kinetic energies in combination with the elemental selectivity of the core level spectroscopies in general that has lead to this fact, as it makes it possible to investigate the electronic structure of materials with a substantially reduced surface sensitivity. In this review we demonstrate how HIKE can be used to investigate the interface properties in multilayer systems. Relative intensities of the core level photoelectron peaks and their chemical shifts derived from binding energy changes are found to give precise information on physico-chemical properties and quality of the buried layers. Interface roughening, including kinetic properties such as the rate of alloying, and temperature effects on the processes can be analyzed quantitatively. We will also provide an outline of the theoretical framework that is used to support the interpretation of data. We provide examples from our own investigations of multilayer systems which comprises both systems of more model character and a multilayer system very close to real applications in devices that are considered to be viable alternative to the present read head technology. The experimental data presented in this review is exclusively recorded at the BESSY-II synchrotron at the Helmholtz-Zentrum Berlin fuer Materialien und Energie. This HIKE facility is placed at the bending magnet beamline KMC-1, which makes it different from several other facilities which relies on undulators as

  13. Surface characterization of uranium metal and uranium dioxide using X-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Allen, G.C.; Trickle, I.R.; Tucker, P.M.

    1981-01-01

    X-ray photoelectron spectra of pure uranium metal and stoichiometric uranium dioxide have been obtained using an AEI ES300 spectrometer. Binding energy values for core and valence electrons have been determined using an internally calibrated energy scale and monochromatic Al Kα radiation. Satellite peaks observed accompanying certain principal core ionizations are discussed in relation to the mechanisms by which they arise. Confirmation is obtained that for stoichiometric UOsub(2.00) a single shake-up satellite is observed accompanying the U 4fsub(7/2,5/2) principal core lines, separated by 6.8 eV to higher binding energy. (author)

  14. Photoelectron spectra and electronic structure of β-diketonates of p- and d-elements

    International Nuclear Information System (INIS)

    Vovna, V.I.; Andreev, V.A.; Cherednichenko, A.I.

    1990-01-01

    Consideration is given to results of studying electronic structure of β-diketonates of metals and β-diketones by the method of gas-phase photoelectron spectroscopy. Manifestation of covalence of metal-ligand bonds in PE spectra and change of covalence in series and groups of d-elements of the periodic table are analysed. It is shown that ionization energy of outer valence electrons doesn't reflect in all cases effective charges of ligands, due to the influence of molecular potential. 35 refs.; 7 figs.; 12 tabs

  15. A Comparison of the Valence Band Structure of Bulk and Epitaxial GeTe-based Diluted Magnetic Semiconductors

    International Nuclear Information System (INIS)

    Pietrzyk, M.A.; Kowalski, B.J.; Orlowski, B.A.; Knoff, W.; Story, T.; Dobrowolski, W.; Slynko, V.E.; Slynko, E.I.; Johnson, R.L.

    2010-01-01

    In this work we present a comparison of the experimental results, which have been obtained by the resonant photoelectron spectroscopy for a set of selected diluted magnetic semiconductors based on GeTe, doped with manganese. The photoemission spectra are acquired for the photon energy range of 40-60 eV, corresponding to the Mn 3p → 3d resonances. The spectral features related to Mn 3d states are revealed in the emission from the valence band. The Mn 3d states contribution manifests itself in the whole valence band with a maximum at the binding energy of 3.8 eV. (authors)

  16. Electron scattering in large water clusters from photoelectron imaging with high harmonic radiation.

    Science.gov (United States)

    Gartmann, Thomas E; Hartweg, Sebastian; Ban, Loren; Chasovskikh, Egor; Yoder, Bruce L; Signorell, Ruth

    2018-06-06

    Low-energy electron scattering in water clusters (H2O)n with average cluster sizes of n < 700 is investigated by angle-resolved photoelectron spectroscopy using high harmonic radiation at photon energies of 14.0, 20.3, and 26.5 eV for ionization from the three outermost valence orbitals. The measurements probe the evolution of the photoelectron anisotropy parameter β as a function of cluster size. A remarkably steep decrease of β with increasing cluster size is observed, which for the largest clusters reaches liquid bulk values. Detailed electron scattering calculations reveal that neither gas nor condensed phase scattering can explain the cluster data. Qualitative agreement between experiment and simulations is obtained with scattering calculations that treat cluster scattering as an intermediate case between gas and condensed phase scattering.

  17. The Utilization of Spin Polarized Photoelectron Spectroscopy as a Probe of Electron Correlation with an Ultimate Goal of Pu

    International Nuclear Information System (INIS)

    Tobin, James; Yu, Sung; Chung, Brandon; Morton, Simon; Komesu, Takashi; Waddill, George

    2008-01-01

    We are developing the technique of spin-polarized photoelectron spectroscopy as a probe of electron correlation with the ultimate goal of resolving the Pu electronic structure controversy. Over the last several years, we have demonstrated the utility of spin polarized photoelectron spectroscopy for determining the fine details of the electronic structure in complex systems such as those shown in the paper.

  18. Observation of relaxation on time scale of core hole decay by coincidence photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Ohno, Masahide

    2007-01-01

    It is shown by a many-body theory that when the relaxation time of a metastable core hole state(s) to the most stable one is comparable to or shorter than core hole decay time of the former state(s), a comparison between the singles (noncoincidence) photoelectron spectroscopy (PES) spectrum and the coincidence one provides a direct evidence of the relaxation. In principle the variation with photoelectron kinetic energy of relaxation (or charge transfer (CT)) time can be determined. By singles measurement the correlation of a photoelectron generated by creation of the metastable states not only with an Auger electron generated by annihilation of the same core hole state but also with an Auger electron generated by annihilation of the stable state via relaxation of the metastable state, is completely lost, unless only the metastable state is observed by PES, whereas the correlation often manifests directly in the coincidence spectra. Thus, compared to the coincidence spectroscopy the singles one is often much less capable of elucidating the competition between relaxation and core hole decay of a metastable state. Such examples are discussed

  19. Polarization and dipole effects in hard X-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Novak, M. [Universite Libre de Bruxelles, Service de Metrologie Nucleaire (CP 165/84), 50 av. F. D. Roosevelt, B-1050 Brussels (Belgium); Pauly, N., E-mail: nipauly@ulb.ac.be [Universite Libre de Bruxelles, Service de Metrologie Nucleaire (CP 165/84), 50 av. F. D. Roosevelt, B-1050 Brussels (Belgium); Dubus, A. [Universite Libre de Bruxelles, Service de Metrologie Nucleaire (CP 165/84), 50 av. F. D. Roosevelt, B-1050 Brussels (Belgium)

    2012-03-15

    Highlights: Black-Right-Pointing-Pointer X-rays are unpolarized or linearly polarized. Black-Right-Pointing-Pointer A difference of polarization implies a variation in path travelled by the photoelectrons. Black-Right-Pointing-Pointer We show the influence of the polarization on the partial intensity distributions. Black-Right-Pointing-Pointer We also point out the influence of the dipole approximation. Black-Right-Pointing-Pointer We use Monte Carlo simulations. - Abstract: Hard X-ray photoelectron spectroscopy (HXPS) using X-rays in the 1.5-15 keV energy range generated by synchrotron sources becomes an increasingly important analysis technique due to its potential for bulk sensitive measurements. However, besides their high energy, another characteristic of photons generated by synchrotron sources is their linear polarization while X-rays from Al K{alpha} or Mg K{alpha} for instance are unpolarized. This difference implies a possible variation in total path travelled by the photoelectrons generated by the X-rays inside the medium and consequently a modification of the resulting spectrum shape. We show the influence of the polarization on the partial intensity distributions, namely the number of electrons escaping after n inelastic scattering events, for photoelectron with energies of 0.5, 1, 2, 3, 4 and 5 keV and originating from Si 1s{sub 1/2}, Cu 1s{sub 1/2}, Cu 2p{sub 3/2}, Au 4d{sub 3/2} and Au 4f{sub 7/2} subshells. Moreover, we point out the influence of the dipole approximation leading to an underestimation of the partial intensity distributions due to the neglect of the forward-backward asymmetry of the angular photoelectron distribution.

  20. Band alignment of HfO{sub 2}/In{sub 0.18}Al{sub 0.82}N determined by angle-resolved x-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Owen, Man Hon Samuel, E-mail: m.owen.sg@ieee.org, E-mail: yeo@ieee.org; Bhuiyan, Maruf Amin; Yeo, Yee-Chia, E-mail: m.owen.sg@ieee.org, E-mail: yeo@ieee.org [Department of Electrical and Computer Engineering, National University of Singapore, Singapore 119260 (Singapore); Zhang, Zheng; Pan, Ji Sheng [Institute of Materials Research and Engineering, A*STAR (Agency for Science, Technology and Research), 3 Research Link, Singapore 117602 (Singapore); Tok, Eng Soon [Department of Physics, National University of Singapore, Singapore 117551 (Singapore)

    2014-07-21

    The band-alignment of atomic layer deposited (ALD)-HfO{sub 2}/In{sub 0.18}Al{sub 0.82}N was studied by high resolution angle-resolved X-ray photoelectron spectroscopy measurements. The band bending near the HfO{sub 2}/In{sub 0.18}Al{sub 0.82}N interface was investigated, and the potential variation across the interface was taken into account in the band alignment calculation. It is observed that the binding energies for N 1s and Al 2p in In{sub 0.18}Al{sub 0.82}N decreases and the corresponding extracted valence band offsets increases with increasing θ (i.e., closer to the HfO{sub 2}/In{sub 0.18}Al{sub 0.82}N interface), as a result of an upward energy band bending towards the HfO{sub 2}/In{sub 0.18}Al{sub 0.82}N interface. The resultant valence band offset and the conduction band offset for the ALD-HfO{sub 2}/In{sub 0.18}Al{sub 0.82}N interface calculated was found to be 0.69 eV and 1.01 eV, respectively.

  1. Time-resolved X-ray photoelectron spectroscopy techniques for the study of interfacial charge dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Neppl, Stefan, E-mail: sneppl@lbl.gov; Gessner, Oliver

    2015-04-15

    Highlights: • Ultrafast interfacial charge transfer is probed with atomic site specificity. • Femtosecond X-ray photoelectron spectroscopy using a free electron laser. • Efficient and flexible picosecond X-ray photoelectron pump–probe scheme using synchrotron radiation. - Abstract: X-ray photoelectron spectroscopy (XPS) is one of the most powerful techniques to quantitatively analyze the chemical composition and electronic structure of surfaces and interfaces in a non-destructive fashion. Extending this technique into the time domain has the exciting potential to shed new light on electronic and chemical dynamics at surfaces by revealing transient charge configurations with element- and site-specificity. Here, we describe prospects and challenges that are associated with the implementation of picosecond and femtosecond time-resolved X-ray photoelectron spectroscopy at third-generation synchrotrons and X-ray free-electron lasers, respectively. In particular, we discuss a series of laser-pump/X-ray-probe photoemission experiments performed on semiconductor surfaces, molecule-semiconductor interfaces, and films of semiconductor nanoparticles that demonstrate the high sensitivity of time-resolved XPS to light-induced charge carrier generation, diffusion and recombination within the space charge layers of these materials. Employing the showcase example of photo-induced electronic dynamics in a dye-sensitized semiconductor system, we highlight the unique possibility to probe heterogeneous charge transfer dynamics from both sides of an interface, i.e., from the perspective of the molecular electron donor and the semiconductor acceptor, simultaneously. Such capabilities will be crucial to improve our microscopic understanding of interfacial charge redistribution and associated chemical dynamics, which are at the heart of emerging energy conversion, solar fuel generation, and energy storage technologies.

  2. Band offsets of novel CoTiO{sub 3}/Ag{sub 3}VO{sub 4} heterojunction measured by X-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Wangkawong, Kanlayawat [Department of Chemistry, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand); Tantraviwat, Doldet [Thai Microelectronics Center (TMEC), National Electronics and Computer Technology Center (NECTEC), Chachoengsao 24000 (Thailand); Phanichphant, Sukon [Materials Science Research Centre, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand); Inceesungvorn, Burapat, E-mail: binceesungvorn@gmail.com [Department of Chemistry, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand)

    2015-01-01

    Highlights: • Band lineup of novel CoTiO{sub 3}/Ag{sub 3}VO{sub 4} composite is determined by semidirect XPS method. • The composite forms a type-II staggered heterojunction. • Valence and conduction-band offsets are 0.2 ± 0.3 and −0.6 ± 0.3 eV, respectively. • Band lineup determination is needed for understanding charge transfer at interfaces. - Abstract: The energy band diagram and band offsets of the novel CoTiO{sub 3}/Ag{sub 3}VO{sub 4} heterojunction photocatalyst are investigated by X-ray photoelectron spectroscopy for the first time. Excluding the strain effect, the valence-band and conduction-band offsets are determined to be 0.2 ± 0.3 eV and −0.6 ± 0.3 eV, respectively. The CoTiO{sub 3}/Ag{sub 3}VO{sub 4} composite forms a type-II heterojunction, for which the photogenerated charge carriers could be effectively separated. The results suggest that determination of the energy band structure is crucial for understanding the photogenerated charge transfer mechanism at the interfaces, hence the corresponding photocatalytic activity and would also be beneficial to the design of new and efficient heterostructure-based photocatalysts.

  3. Valence and Magnetic Transitions in YbMn2Ge2-Applied Pressure

    International Nuclear Information System (INIS)

    Hofmann, M.; Link, P.; Campbell, S.J.; Goncharenko, I.

    2005-01-01

    Full text: Rare-earth intermetallic compounds containing ytterbium exhibit a wide range of interesting and unusual physical and magnetic properties. This occurs mainly as a result of their mixed valence states (II/III) or changes from one valence state to the other. We have recently determined the magnetic structures of tetragonal YbMn 2 Ge 2 (I4/mmm) by powder neutron diffraction experiments and demonstrated that YbMn 2 Ge 2 has a planar antiferromagnetic structure below T N1 ∼ 510 K with a canted antiferromagnetic structure below T N2 ∼ 185 K. As applied pressure favours changes in the valence character of intermediate valence systems and correspondingly influences the magnetic behaviour, we have investigated the effects of applied pressure on YbMn 2 Ge 2 . Analyses of our in situ neutron diffraction experiments (T=1.5-300 K; p=0-2.7 GPa), reveal a distinct change in magnetic structure and a sharp drop in the a-lattice parameter above ∼ 1.4 GPa with the changes associated with a valence transition. A full account of these effects will be discussed in relation to our current photoelectron spectroscopy measurements of YbMn 2 Ge 2 . (authors)

  4. Study of electron beam effects on surfaces using x-ray photoelectron spectroscopy (XPS) and secondary ion mass spectroscopy (SIMS)

    International Nuclear Information System (INIS)

    Gettings, M.; Coad, J.P.

    1976-02-01

    Discrepancies in the surface analyses of oxidised or heavily contaminated materials have been observed between X-ray Photoelectron Spectroscopy (XPS) and techniques using electron beams (primarily Auger Electron Spectroscopy (AES)). These discrepancies can be ascribed to the influence of the primary electron beam and to illustrate the various types of electron effects different materials were analysed using XPS and Secondary Ion Mass Spectroscopy (SIMS) before and after large area electron bombardment. The materials used included chrome and stainless steels, nickel, platinum, glass and brass. (author)

  5. Functional materials for information and energy technology: Insights by photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Müller, Martina; Nemšák, Slavomír; Plucinski, Lukasz; Schneider, Claus M.

    2016-01-01

    Highlights: • Photoemission spectro/microscopy studies of functional material systems. • Hard X-ray photoemission spectroscopy from magnetic semiconductors and insulators. • Information depth studies in hard X-ray photoemission microscopy. • Soft X-ray standing wave ambient pressure photoemission spectroscopy from liquid films. - Abstract: The evolution of both information and energy technology is intimately connected to complex condensed matter systems, the properties of which are determined by electronic and chemical interactions and processes on a broad range of length and time scales. Dedicated photoelectron spectroscopy and spectromicroscopy experiments can provide important insights into fundamental phenomena and applied functionalities. We discuss some recent methodological developments with application to relevant questions in spintronics, and towards operando studies of resistive switching and electrochemical processes.

  6. Electronic structure effects in liquid water studied by photoelectron spectroscopy and density functional theory

    Energy Technology Data Exchange (ETDEWEB)

    Nordlund, Dennis; Odelius, Michael; Bluhm, Hendrik; Ogasawara, Hirohito; Pettersson, Lars G.M.; Nilsson, Anders

    2008-04-29

    We present valence photoelectron emission spectra of liquid water in comparison with gas-phase water, ice close to the melting point, low temperature amorphous and crystalline ice. All aggregation states have major electronic structure changes relative to the free molecule, with rehybridization and development of bonding and anti-bonding states accompanying the hydrogen bond formation. Sensitivity to the local structural order, most prominent in the shape and splitting of the occupied 3a{sub 1} orbital, is understood from the electronic structure averaging over various geometrical structures, and reflects the local nature of the orbital interaction.

  7. Time-resolved photoelectron spectroscopy of nitrobenzene and its aldehydes

    Science.gov (United States)

    Schalk, Oliver; Townsend, Dave; Wolf, Thomas J. A.; Holland, David M. P.; Boguslavskiy, Andrey E.; Szöri, Milan; Stolow, Albert

    2018-01-01

    We report the first femtosecond time-resolved photoelectron spectroscopy study of 2-, 3- and 4-nitrobenzaldehyde (NBA) and nitrobenzene (NBE) in the gas phase upon excitation at 200 nm. In 3- and 4-NBA, the dynamics follow fast intersystem crossing within 1-2 picoseconds. In 2-NBA and NBE, the dynamics are faster (∼ 0.5 ps). 2-NBA undergoes hydrogen transfer similar to solution phase dynamics. NBE either releases NO2 in the excited state or converts internally back to the ground state. We discuss why these channels are suppressed in the other nitrobenzaldehydes.

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

    DEFF Research Database (Denmark)

    Baggesen, Jan Conrad; Madsen, Lars Bojer

    2009-01-01

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

  9. Monochromatization of synchrotron radiation for studies in photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Murty, P.S.

    1981-01-01

    Synchrotron radiation provides a tunable photon source which bridges the wavelength gap between HeI and AlKsub(α) radiation sources in photoelectron spectroscopy. The essential component for using synchrotron radiation is a monochromator. Some design features of the monochromators fabricated at Stanford, U.S.A., and Orsay, France, are described. The Stanford monochromator is a silicon crystal monochromator yielding 8 keV X-ray beam and is used with SPEAR storage ring facility, while the Orsay monochromator is a grazing incidence grating monochromator used for UPS studies. (M.G.B.)

  10. Many-electron effect in the resonant Auger electron spectroscopy spectra of adsorbates

    International Nuclear Information System (INIS)

    Ohno, Masahide

    2007-01-01

    It is shown by a many-body theory that a resonantly excited core hole state in a chemisorbed molecule such as CO/Ni, CO/Pd, and CO/Pt relaxes to a fully relaxed one, i.e., the ionized core hole state of the smallest binding energy observed by photoelectron spectroscopy, before the core hole decays so that the resonant Auger electron spectroscopy (RAES) spectrum shows the normal Auger decay spectrum. It is shown by a many-body theory that the Auger peaks on the higher kinetic energy (K.E.) side in the RAES or AES spectrum, i.e., so called back-bonding peaks, are the two-hole states consisting of a valence hole and a hole in the adsorbate-substrate hybrid states below the substrate Fermi level. The latter hole is the change in the density of the hybrid states occupied by the screening electron from the core hole state to the valence-hole state. The difference between the back-bonding peak energy and the single valence-hole energy provides an important information about the change in the density of the hybrid states occupied by the screening electron from the core hole state to the valence-hole state. The difference between the RAES spectrum measured at the resonance energy and the AES spectrum measured at far above the ionization limit shows the competition between relaxation and decay of shakeup satellites such as the charge transfer (CT) shakeup. The relaxation rate of the CT shakeup state can be determined by Auger-photoelectron coincidence spectroscopy (APECS)

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

    International Nuclear Information System (INIS)

    Davis, R.F.

    1981-11-01

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

  12. Interface Energy Alignment of Atomic-Layer-Deposited VOx on Pentacene: an in Situ Photoelectron Spectroscopy Investigation.

    Science.gov (United States)

    Zhao, Ran; Gao, Yuanhong; Guo, Zheng; Su, Yantao; Wang, Xinwei

    2017-01-18

    Ultrathin atomic-layer-deposited (ALD) vanadium oxide (VO x ) interlayer has recently been demonstrated for remarkably reducing the contact resistance in organic electronic devices (Adv. Funct. Mater. 2016, 26, 4456). Herein, we present an in situ photoelectron spectroscopy investigation (including X-ray and ultraviolet photoelectron spectroscopies) of ALD VO x grown on pentacene to understand the role of the ALD VO x interlayer for the improved contact resistance. The in situ photoelectron spectroscopy characterizations allow us to monitor the ALD growth process of VO x and trace the evolutions of the work function, pentacene HOMO level, and VO x defect states during the growth. The initial VO x growth is found to be partially delayed on pentacene in the first ∼20 ALD cycles. The underneath pentacene layer is largely intact after ALD. The ALD VO x is found to contain a high density of defect states starting from 0.67 eV below the Fermi level, and the energy level of these defect states is in excellent alignment with the HOMO level of pentacene, which therefore allows these VO x defect states to provide an efficient hole-injection pathway at the contact interface.

  13. Valence control of cobalt oxide thin films by annealing atmosphere

    International Nuclear Information System (INIS)

    Wang Shijing; Zhang Boping; Zhao Cuihua; Li Songjie; Zhang Meixia; Yan Liping

    2011-01-01

    The cobalt oxide (CoO and Co 3 O 4 ) thin films were successfully prepared using a spin-coating technique by a chemical solution method with CH 3 OCH 2 CH 2 OH and Co(NO 3 ) 2 .6H 2 O as starting materials. The grayish cobalt oxide films had uniform crystalline grains with less than 50 nm in diameter. The phase structure is able to tailor by controlling the annealing atmosphere and temperature, in which Co 3 O 4 thin film was obtained by annealing in air at 300-600, and N 2 at 300, and transferred to CoO thin film by raising annealing temperature in N 2 . The fitted X-ray photoelectron spectroscopy (XPS) spectra of the Co2p electrons are distinguishable from different valence states of cobalt oxide especially for their satellite structure. The valence control of cobalt oxide thin films by annealing atmosphere contributes to the tailored optical absorption property.

  14. Core and valence level photoemission and photoabsorption study of icosahedral Al-Pd-Mn quasicrystals

    International Nuclear Information System (INIS)

    Horn, K; Theis, W; Paggel, J J; Barman, S R; Rotenberg, E; Ebert, Ph; Urban, K

    2006-01-01

    The electronic structure of quasicrystalline Al-Pd-Mn is investigated by means of valence and core level photoelectron spectroscopy. Variations of the photoionization cross section in the constituents' valence electronic levels as a function of photon energy are used to identify contributions from the different atomic species, in particular near the Pd 4d Cooper minimum. Resonant photoemission at the Mn 2p absorption edge shows the contribution of the Mn 3d states to the density of states in a region near the Fermi level. The asymmetry of Pd 3d and Mn 2p core level photoemission lines, and its difference for emission from metallic and quasicrystalline phases, are utilized to infer the contributions of the different constituents to the density of states at the Fermi level

  15. Assessment of Quantum Mechanical Methods for Copper and Iron Complexes by Photoelectron Spectroscopy.

    Science.gov (United States)

    Niu, Shuqiang; Huang, Dao-Ling; Dau, Phuong D; Liu, Hong-Tao; Wang, Lai-Sheng; Ichiye, Toshiko

    2014-03-11

    Broken-symmetry density functional theory (BS-DFT) calculations are assessed for redox energetics [Cu(SCH 3 ) 2 ] 1-/0 , [Cu(NCS) 2 ] 1-/0 , [FeCl 4 ] 1-/0 , and [Fe(SCH 3 ) 4 ] 1-/0 against vertical detachment energies (VDE) from valence photoelectron spectroscopy (PES), as a prelude to studies of metalloprotein analogs. The M06 and B3LYP hybrid functionals give VDE that agree with the PES VDE for the Fe complexes, but both underestimate it by ∼400 meV for the Cu complexes; other hybrid functionals give VDEs that are an increasing function of the amount of Hartree-Fock (HF) exchange and so cannot show good agreement for both Cu and Fe complexes. Range-separated (RS) functionals appear to give a better distribution of HF exchange since the negative HOMO energy is approximately equal to the VDEs but also give VDEs dependent on the amount of HF exchange, sometimes leading to ground states with incorrect electron configurations; the LRC- ω PBEh functional reduced to 10% HF exchange at short-range give somewhat better values for both, although still ∼150 meV too low for the Cu complexes and ∼50 meV too high for the Fe complexes. Overall, the results indicate that while HF exchange compensates for self-interaction error in DFT calculations of both Cu and Fe complexes, too much may lead to more sensitivity to nondynamical correlation in the spin-polarized Fe complexes.

  16. Size effects in van der Waals clusters studied by spin and angle-resolved electron spectroscopy and multi-coincidence ion imaging

    International Nuclear Information System (INIS)

    Rolles, D; Pesic, Z D; Zhang, H; Bilodeau, R C; Bozek, J D; Berrah, N

    2007-01-01

    We have studied the valence and inner-shell photoionization of free rare-gas clusters by means of angle and spin resolved photoelectron spectroscopy and momentum resolving electron-multi-ion coincidence spectroscopy. The electron measurements probe the evolution of the photoelectron angular distribution and spin polarization parameters as a function of photon energy and cluster size, and reveal a strong cluster size dependence of the photoelectron angular distributions in certain photon energy regions. In contrast, the spin polarization parameter of the cluster photoelectrons is found to be very close to the atomic value for all covered photon energies and cluster sizes. The ion imaging measurements, which probe the fragmentation dynamics of multiply charged van der Waals clusters, also exhibit a pronounced cluster size dependence

  17. Increased photoelectron transmission in High-pressure photoelectron spectrometers using “swift acceleration”

    Energy Technology Data Exchange (ETDEWEB)

    Edwards, Mårten O.M.; Karlsson, Patrik G. [VG Scienta AB, Box 15120, 750 15 Uppsala (Sweden); Eriksson, Susanna K. [Department of Chemistry-Ångström, Uppsala University, Box 523, 751 20 Uppsala (Sweden); Hahlin, Maria; Siegbahn, Hans; Rensmo, Håkan [Department of Physics and Astronomy, Uppsala University, Box 516, 751 20 Uppsala (Sweden); Kahk, Juhan M.; Villar-Garcia, Ignacio J.; Payne, David J. [Department of Materials, Imperial College London, Exhibition Road, London SW7 2AZ (United Kingdom); Åhlund, John, E-mail: john.ahlund@vgscienta.com [VG Scienta AB, Box 15120, 750 15 Uppsala (Sweden)

    2015-06-11

    A new operation mode of a HPXPS (high-pressure X-ray photoelectron spectroscopy) analyzer is evaluated on a HPXPS system fitted with an Al Kα X-ray source. A variety of metal foil samples (gold, silver and copper) were measured in different sample gas environments (N{sub 2} and H{sub 2}O), and a front aperture diameter of 0.8 mm. The new design concept is based upon “swiftly” accelerating the photoelectrons to kinetic energies of several keV after they pass the analyzer front aperture. Compared to the standard mode, in which the front section between the two first apertures is field-free, this gives a wider angular collection and a lower tendency for electron losses in collisions with gas molecules within the analyzer. With the swift-acceleration mode we attain, depending on the experimental conditions, up to about 3 times higher peak intensities in vacuum and about 10 to 20 times higher peak intensities in the 6–9 mbar regime, depending on kinetic energy. These experimental findings agree well with simulated transmission functions for the analyzer. The new mode of operation enables faster data acquisition than the standard mode of operation, particularly valuable in a home laboratory environment. Further demonstrations of performance are highlighted by measurements of the valence band structure in dye-sensitized solar cell photoelectrodes under a 2 mbar H{sub 2}O atmosphere, a molecularly modified surface of interest in photoelectrochemical devices.

  18. Bonding in inorganic compounds: a study by x-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Avanzino, S.C.

    1978-10-01

    Core electron binding energies were measured for a variety of inorganic and organometallic compounds using gas-phase X-ray photoelectron spectroscopy (XPS). The atomic charge distributions in these molecules are deduced from the binding energies, often leading to a better understanding of the bonding in these compounds. The XPS spectra of fifteen volatile tin compounds were recorded. The data suggest that the metal d orbitals are not significantly involved in the bonding. The oxygen ls XPS spectra of gaseous CH 3 Mn(CO) 5 , [π-C 5 H 5 Fe(CO) 2 ] 2 , and Co 4 (CO) 12 can be readily resolved into separate peaks due to bridging and terminal carbonyl groups. The C ls spectrum of Fe(CO) 5 consists of a single symmetric peak. The carbonyl ligand core binding energies of transition-metal carbonyl complexes are sensitive to differences in the metal-to-CO ligand bonding. Both C ls and O ls carbonyl binding energies correlate well with average C-O stretching force constants or average C-O stretching frequencies. The metal and carbonyl binding energies in a series of pentacarbonylmanganese complexes LMn(CO) 5 are a good measure of the relative electronegativities of the ligands L. High-quality X-ray photoelectron spectra have been obtained for compounds dissolved in glycerin solutions, and aqueous solutions were converted into glycerin solutions which gave good XRSspectra of the solutes. The technique appears promising as a future analytical application of X-ray photoelectron spectroscopy. The shifts in the binding energies of oxygen, chlorine, and carbon atoms in some isoelectronic isostructural compounds can be explained in terms of simple trends in atomic charges

  19. The protonation state of small carboxylic acids at the water surface from photoelectron spectroscopy

    Czech Academy of Sciences Publication Activity Database

    Ottosson, N.; Wernersson, Erik; Söderström, J.; Pokapanich, W.; Kaufmann, S.; Svensson, S.; Persson, I.; Öhrwall, G.; Björneholm, O.

    2011-01-01

    Roč. 13, č. 26 (2011), s. 12261-12267 ISSN 1463-9076 Institutional research plan: CEZ:AV0Z40550506 Keywords : water surface * carboxylic acids * photoelectron spectroscopy Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.573, year: 2011

  20. Photoelectron spectroscopy study of thin Ag films deposited on to amorphous In–Ga–Zn–O surface

    Energy Technology Data Exchange (ETDEWEB)

    Kang, Se Jun [Department of Physics, Pohang University of Science and Technology, Pohang 790-784 (Korea, Republic of); Baik, Jaeyoon; Ha, Taekyun; Park, Chong Do [Pohang Accelerator Laboratory, Pohang University of Science and Technology, Pohang 790-784 (Korea, Republic of); Shin, Hyun-Joon, E-mail: shj001@postech.ac.kr [Department of Physics, Pohang University of Science and Technology, Pohang 790-784 (Korea, Republic of); Pohang Accelerator Laboratory, Pohang University of Science and Technology, Pohang 790-784 (Korea, Republic of); Chung, JaeGwan; Lee, Jaecheol [A E Group, Samsung Advanced Institute of Technology, Giheung-Gu, Yongin-Si, GyeingGi-Do 449-712 (Korea, Republic of)

    2014-11-03

    Ag was thermally evaporated onto amorphous In–Ga–Zn–O (a-IGZO) thin film, and the Ag-thickness (< 0.3 nm)-dependent chemical states of the Ag-deposited a-IGZO thin-film surfaces were investigated by high-resolution X-ray photoelectron spectroscopy. As Ag layer thickness increased, Ag 3d shifted towards the lower binding energy (BE) side and In 3d developed a lower-BE component; however, O 1s, Ga 3d, and Zn 3d showed much smaller spectral feature changes than Ag 3d or In 3d. The analysis suggests that Ag atoms preferentially interact and share electrons with In atoms. The Ag 4d split feature at the valence band and the metallic states near the Fermi edge were noticeably visible when the Ag thickness was greater than 0.1 nm. - Highlights: • Ag was deposited on a-IGZO thin film using thermal evaporation method. • Chemical state changes of Ag-deposited a-IGZO were investigated by XPS. • As Ag layer thickness increased, In 3d developed a lower-BE component. • As Ag layer thickness increased, Ag 3d shifted towards the lower BE side. • Ag atoms preferentially interact and share electrons with In atoms.

  1. Characterization of MBE-grown InAlN/GaN heterostructure valence band offsets with varying In composition

    Energy Technology Data Exchange (ETDEWEB)

    Jiao, Wenyuan, E-mail: wyjiaonju@gmail.com; Kong, Wei; Li, Jincheng; Kim, Tong-Ho; Brown, April S. [Department of Electrical and Computer Engineering, Duke University, Durham, NC, 27708 (United States); Collar, Kristen [Department of Physics, Duke University, Durham, NC, 27708 (United States); Losurdo, Maria [CNR-NANOTEC, Istituto di Nanotecnologia, via Orabona, 4-70126 Bari (Italy)

    2016-03-15

    Angle-resolved X-ray photoelectron spectroscopy (XPS) is used in this work to experimentally determine the valence band offsets of molecular beam epitaxy (MBE)-grown InAlN/GaN heterostructures with varying indium composition. We find that the internal electric field resulting from polarization must be taken into account when analyzing the XPS data. Valence band offsets of 0.12 eV for In{sub 0.18}Al{sub 0.82}N, 0.15 eV for In{sub 0.17}Al{sub 0.83}N, and 0.23 eV for In{sub 0.098}Al{sub 0.902}N with GaN are obtained. The results show that a compositional-depended bowing parameter is needed in order to estimate the valence band energies of InAlN as a function of composition in relation to those of the binary endpoints, AlN and InN.

  2. Characterization of MBE-grown InAlN/GaN heterostructure valence band offsets with varying In composition

    Directory of Open Access Journals (Sweden)

    Wenyuan Jiao

    2016-03-01

    Full Text Available Angle-resolved X-ray photoelectron spectroscopy (XPS is used in this work to experimentally determine the valence band offsets of molecular beam epitaxy (MBE-grown InAlN/GaN heterostructures with varying indium composition. We find that the internal electric field resulting from polarization must be taken into account when analyzing the XPS data. Valence band offsets of 0.12 eV for In0.18Al0.82N, 0.15 eV for In0.17Al0.83N, and 0.23 eV for In0.098Al0.902N with GaN are obtained. The results show that a compositional-depended bowing parameter is needed in order to estimate the valence band energies of InAlN as a function of composition in relation to those of the binary endpoints, AlN and InN.

  3. Chemical Insights from Carbon 1s Photoelectron Spectroscopy and Theoretical Modeling

    International Nuclear Information System (INIS)

    Oltedal, Velaug M

    2007-05-01

    Inner-shell ionization energies provide local probes of the charge distribution in molecules and of the ability of a molecule to accept charge at specific sites. As such, core-ionization energies are related to and may provide insight into other chemical properties that depend on the same ability. X-ray photoelectron spectroscopy (XPS) is the preferred tool for exploring core-ionization energies. In the present work, synchrotron radiation was used to acquire photoelectron spectra of several carbon-containing molecules in the gas phase. Carbon 1s ionization energies are of special interest because of the vital role of organic molecules in life processes. A prerequisite for obtaining accurate ionization energies is access to reliable methods for calibration of the energies. This work has been concerned with establishing procedures for very accurate calibration of C1s ionization energies

  4. Study of niobium oxidation by photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Durand, C.

    1985-01-01

    The chemical composition of thin oxide layers, grown on clean niobium, in low oxygen pressure, was studied by a surface analysis method: X-ray Photoelectron Spectroscopy. The purpose of this study was to find the best conditions for the building of Nb/Nb oxide/Pb Josephson junctions, and particularly to minimise the interface thickness during the formation of the insulator film (Nb 2 O 5 ) on the metal (Nb). This interface is essentially formed by the monoxide (NbO) and dioxide (NbO 2 ). Nb 3d XPS core level peak positions and area ratios (obtained by the signal decomposition) of the components of the total peak, were used to determine the presence of the different oxidation states II, IV and V, their relative abundance, oxide thicknesses and their depth distribution. All this information was extracted by a special numerical procedure [fr

  5. Band offsets and growth mode of molecular beam epitaxy grown MgO (111) on GaN (0002) by x-ray photoelectron spectroscopy

    Science.gov (United States)

    Craft, H. S.; Collazo, R.; Losego, M. D.; Mita, S.; Sitar, Z.; Maria, J.-P.

    2007-10-01

    MgO is a proposed dielectric for use as a tunneling barrier in devices integrating GaN and ferroelectric oxides. In this study, we present data regarding the growth mode and band offsets of MgO grown epitaxially on GaN (0002) surfaces using molecular beam epitaxy. Using in situ x-ray photoelectron spectroscopy (XPS) and molecular beam epitaxy, we determine, from sequential growth experiments, that the growth of MgO proceeds via the Volmer-Weber (three-dimensional) mode, and full coalescence of the film does not occur until approximately 12nm of MgO has been deposited. The observation of a three-dimensional growth mode is in agreement with previously published data. For the valence band offset, we find a value of 1.2±0.2eV, which corresponds to a 3.2eV conduction band offset. XPS measurements suggest a chemically abrupt interface and no effect on band lineup due to the slow coalescence behavior.

  6. Band offsets and growth mode of molecular beam epitaxy grown MgO (111) on GaN (0002) by x-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Craft, H. S.; Collazo, R.; Losego, M. D.; Mita, S.; Sitar, Z.; Maria, J.-P.

    2007-01-01

    MgO is a proposed dielectric for use as a tunneling barrier in devices integrating GaN and ferroelectric oxides. In this study, we present data regarding the growth mode and band offsets of MgO grown epitaxially on GaN (0002) surfaces using molecular beam epitaxy. Using in situ x-ray photoelectron spectroscopy (XPS) and molecular beam epitaxy, we determine, from sequential growth experiments, that the growth of MgO proceeds via the Volmer-Weber (three-dimensional) mode, and full coalescence of the film does not occur until approximately 12 nm of MgO has been deposited. The observation of a three-dimensional growth mode is in agreement with previously published data. For the valence band offset, we find a value of 1.2±0.2 eV, which corresponds to a 3.2 eV conduction band offset. XPS measurements suggest a chemically abrupt interface and no effect on band lineup due to the slow coalescence behavior

  7. X-ray photoelectron spectroscopy in North America - the early years

    International Nuclear Information System (INIS)

    Shirley, D.A.; Fadley, C.S.

    2004-01-01

    In this paper, we present a brief overview of the beginning years of X-ray photoelectron spectroscopy in the USA, with particular emphasis on activities in Berkeley with which we are more familiar, but comments also on some other significant developments during this period. With some arbitrariness, we have limited ourselves to topics that were at least underway by the time of the first conference in this series in 1971, and thus finally published by 1973 or so. Some key first results or analyses are illuminated with figures from the literature

  8. A novel probe of intrinsic electronic structure: hard X-ray photoemission spectroscopy

    International Nuclear Information System (INIS)

    Takata, Y.; Tamasaku, K.; Nishino, Y.; Miwa, D.; Yabashi, M.; Ikenaga, E.; Horiba, K.; Arita, M.; Shimada, K.; Namatame, H.; Nohira, H.; Hattori, T.; Soedergren, S.; Wannberg, B.; Taniguchi, M.; Shin, S.; Ishikawa, T.; Kobayashi, K.

    2005-01-01

    We have realized hard X-ray (HX) photoemission spectroscopy (PES) with high throughput and high-energy resolution for core level and valence band studies using high-energy and high-brilliance synchrotron radiation at SPring-8. This is a brand new method because large escape depth of high-energy photoelectrons enables us to probe intrinsic bulk states free from surface condition. By use of a newly developed electron energy analyzer and well-focused X-rays, high-energy resolution of 75 meV (E/ΔE 79,000) was realized for 5.95 keV photoelectrons

  9. Photoelectron spectroscopy of surfaces under humid conditions

    International Nuclear Information System (INIS)

    Bluhm, Hendrik

    2010-01-01

    The interaction of water with surfaces plays a major role in many processes in the environment, atmosphere and technology. Weathering of rocks, adhesion between surfaces, and ionic conductance along surfaces are among many phenomena that are governed by the adsorption of molecularly thin water layers under ambient humidities. The properties of these thin water films, in particular their thickness, structure and hydrogen-bonding to the substrate as well as within the water film are up to now not very well understood. Ambient pressure photoelectron spectroscopy (APXPS) is a promising technique for the investigation of the properties of thin water films. In this article we will discuss the basics of APXPS as well as the particular challenges that are posed by investigations in water vapor at Torr pressures. We will also show examples of the application of APXPS to the study of water films on metals and oxides.

  10. Assigning Oxidation States to Organic Compounds via Predictions from X-ray Photoelectron Spectroscopy: A Discussion of Approaches and Recommended Improvements

    Energy Technology Data Exchange (ETDEWEB)

    Gupta, Vipul; Ganegoda, Hasitha; Engelhard, Mark H.; Terry, Jeff H.; Linford, Matthew R.

    2014-02-11

    The traditional assignment of oxidation numbers to organic molecules is problematic. Accordingly, in 1999, Calzaferri proposed a simple and elegant solution that is based on the similar electronegativities of carbon and hydrogen: hydrogen would be assigned an oxidation number of zero when bonded to carbon. Here we show that X-ray photoelectron spectroscopy (XPS), a core electron spectroscopy that is sensitive to oxidation states of elements, confirms his suggestion. In particular, in this work we: (i) list the typical rules for assigning oxidation numbers, (ii) discuss the traditional assignment of oxidation numbers to organic molecules, (iii) review Calzaferri’s solution, (iv) introduce X-ray photoelectron spectroscopy (XPS), (v) show the consistency of Calzaferri’s suggestion with XPS results, (vi) provide supporting examples from the literature, (vii) provide examples from our own research, and (viii) further confirm the Calzaferri suggestion/photoelectron spectroscopy results by discussing two organic well-known reactions. We end by reechoing Calzaferri’s suggestion that the traditional rules for assigning oxidation numbers to organic molecules be modified.

  11. Characterization of as-grown and adsorbate-covered N-polar InN surfaces using in situ photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Eisenhardt, Anja; Himmerlich, Marcel; Krischok, Stefan

    2012-01-01

    The surface electronic properties and adsorption behaviour of as-grown and oxidized N-polar InN films are characterized by photoelectron spectroscopy (XPS, UPS). The epitaxial growth of the InN layers was performed by plasma-assisted molecular beam epitaxy on GaN/6H-SiC(000-1). After growth and in situ characterization the InN surfaces were exposed to molecular oxygen to evaluate the adsorption behaviour of O 2 on N-polar InN and to study its impact on the surface electronic properties of the III-nitride material. The results are compared with studies on In-polar InN on GaN/sapphire templates. The as-grown N-polar InN surface exhibits a pronounced surface state at a binding energy of ∝1.6 eV. The valence band minimum lies about 0.8-1.0 eV below the surface Fermi level. Additionally, the XPS core level binding energies for InN(000-1) are reduced compared to InN(0001) films, indicating different surface band bending for clean N-polar and In-polar InN, respectively. The interaction of molecular oxygen with the InN(000-1) surface leads to a downward band bending by 0.1 eV compared to the initial state. Additional adsorption of species from the residual gas of the UHV chamber increases the surface downward band bending. Furthermore two pronounced oxygen related states with an energy distance of ∝5 eV could be detected in the valence band region. The adsorbed oxygen results in an additional component in the N1s core level spectra, which is interpreted as formation of NO x bonds. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  12. Band alignment of ZnO/multilayer MoS{sub 2} interface determined by x-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Xinke, E-mail: xkliu@szu.edu.cn, E-mail: liuwj@szu.edu.cn; He, Jiazhu; Chen, Le; Li, Kuilong; Jia, Fang; Zeng, Yuxiang; Lu, Youming; Zhu, Deliang; Liu, Wenjun, E-mail: xkliu@szu.edu.cn, E-mail: liuwj@szu.edu.cn [College of Materials Science and Engineering, Nanshan District Key Lab for Biopolymer and Safety Evaluation, Shenzhen University, 3688 Nanhai Ave, Shenzhen 518060 (China); Zhang, Yuan [School of Physics and Electronic Information, Hua Bei Normal University, 100 Dongshan Road, Huai Bei 235000 (China); Liu, Qiang; Yu, Wenjie [State Key Laboratory of Functional Materials for Informatics, Shanghai Institute of Microsystem and Information Technology, CAS, 865 Chang Ning Road, Shanghai 200050 (China); Wu, Jing [Institute of Materials research and Engineering (IMRE), 2 Fusionopolis Way, Innovis, #08-03, 138634 Singapore (Singapore); He, Zhubing [Department of Materials Science and Engineering, South University of Science and Technology of China, 1088 Xueyuan Road, Shenzhen 518055 (China); Ang, Kah-Wee [Department of Electrical and Computer Engineering, National University of Singapore, 4 Engineering Drive 3, 117583 Singapore (Singapore)

    2016-08-15

    The energy band alignment between ZnO and multilayer (ML)-MoS{sub 2} was characterized using high-resolution x-ray photoelectron spectroscopy. The ZnO film was deposited using an atomic layer deposition tool, and ML-MoS{sub 2} was grown by chemical vapor deposition. A valence band offset (VBO) of 3.32 eV and a conduction band offset (CBO) of 1.12 eV were obtained for the ZnO/ML-MoS{sub 2} interface without any treatment. With CHF{sub 3} plasma treatment, a VBO and a CBO across the ZnO/ML-MoS{sub 2} interface were found to be 3.54 eV and 1.34 eV, respectively. With the CHF{sub 3} plasma treatment, the band alignment of the ZnO/ML-MoS{sub 2} interface has been changed from type II or staggered band alignment to type III or misaligned one, which favors the electron-hole pair separation. The band alignment difference is believed to be dominated by the down-shift in the core level of Zn 2p or the interface dipoles, which is caused by the interfacial layer rich in F.

  13. Valence control of cobalt oxide thin films by annealing atmosphere

    Energy Technology Data Exchange (ETDEWEB)

    Wang Shijing [School of Materials Science and Engineering, University of Science and Technology Beijing, No. 30 Xueyuan Road, Beijing 100083 (China); Zhang Boping, E-mail: bpzhang@ustb.edu.cn [School of Materials Science and Engineering, University of Science and Technology Beijing, No. 30 Xueyuan Road, Beijing 100083 (China); Zhao Cuihua; Li Songjie; Zhang Meixia; Yan Liping [School of Materials Science and Engineering, University of Science and Technology Beijing, No. 30 Xueyuan Road, Beijing 100083 (China)

    2011-02-01

    The cobalt oxide (CoO and Co{sub 3}O{sub 4}) thin films were successfully prepared using a spin-coating technique by a chemical solution method with CH{sub 3}OCH{sub 2}CH{sub 2}OH and Co(NO{sub 3}){sub 2}.6H{sub 2}O as starting materials. The grayish cobalt oxide films had uniform crystalline grains with less than 50 nm in diameter. The phase structure is able to tailor by controlling the annealing atmosphere and temperature, in which Co{sub 3}O{sub 4} thin film was obtained by annealing in air at 300-600, and N{sub 2} at 300, and transferred to CoO thin film by raising annealing temperature in N{sub 2}. The fitted X-ray photoelectron spectroscopy (XPS) spectra of the Co2p electrons are distinguishable from different valence states of cobalt oxide especially for their satellite structure. The valence control of cobalt oxide thin films by annealing atmosphere contributes to the tailored optical absorption property.

  14. Resonance-enhanced multiphoton ionization photoelectron spectroscopy of even-parity autoionizing Rydberg states of atomic sulphur

    NARCIS (Netherlands)

    Woutersen, S.; de Milan, J.B.; de Lange, C.A.; Buma, W.J.

    1997-01-01

    Several previously unobserved Rydberg states of the sulphur atom above the lowest ionization threshold are identified and assigned using (2 + 1) resonance-enhanced multiphoton-ionization photoelectron spectroscopy. All states were accessed by two-photon transitions from either the 3P ground or the

  15. Spectroscopy of 211Rn approaching the valence limit

    International Nuclear Information System (INIS)

    Davidson, P.M.; Dracoulis, G.D.; Byrne, A.P.; Kibedi, T.; Fabricus, B.; Baxter, A.M.; Stuchbery, A.E.; Poletti, A.R.; Schiffer, K.J.

    1993-01-01

    High-spin states in 211 Rn were populated using the reaction 198 Pt( 18 O, 5n) at 96 MeV. Their decay was studied using γ-ray and electron spectroscopy. The known level scheme is extended up to a spin of greater than 69/2 and many non-yrast states are added. Semi-empirical shell-model calculations and the properties of related states in 210 Rn and 212 Rn are used to assign configurations to some of the non-yrast states. The properties of the high-spin states observed are compared to the predictions of the multi-particle octupole-coupling model and the semi-empirical shell model. The maximum reasonable spin available from the valence particles and holes in 77/2 and states are observed to near this limit. (orig.)

  16. Introduction to x-ray photoelectron spectroscopy (XPS)

    International Nuclear Information System (INIS)

    Liesegang, J.; Pigram, P.J.

    1999-01-01

    Full text: XPS is one of several important surface analytical tools. Developed in Sweden in the 1960s, it was originally named by Kai Siegbahn as Electron Spectroscopy for Chemical Analysis or ESCA; and although it is the best method for non-invasively determining the elemental composition of the first 10 nm of any surface, modern XPS systems are capable of much more than elemental chemical analysis. High resolution photoelectron energy analysis (c. 0.2 eV) now permits easy identification of chemical state as well as concentration; angular variation of detection and depth profiling allow quantitative analysis as a function of depth below a sample surface; energy loss mechanisms may be studied; Auger peaks can be measured in an XPS system; and developments in the area of photoelectron imaging allow high resolution (c. 7 μm) mapping of the distribution of elements and their chemical states to be determined spatially on non-homogeneous surfaces. The workshop sessions will outline the link between the physics and chemistry of surfaces and the process of photoemission. The presentation will illustrate the features and capabilities of a newly acquired Kratos (UK) Axis Ultra XPS and Imaging System recently installed in the Centre for Materials and Surface Science at La Trobe University, and its capabilities regarding the foregoing issues. The first part of the presentation will outline the basics of XPS and the second part will illustrate its usefulness, and in particular, will illustrate the power of the instrumentation through the presentation of several applications of both fundamental and industrial significance. Copyright (1999) Australian X-ray Analytical Association Inc

  17. Attosecond photoelectron spectroscopy of electron transport in solids

    International Nuclear Information System (INIS)

    Magerl, Elisabeth

    2011-01-01

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

  18. Attosecond photoelectron spectroscopy of electron transport in solids

    Energy Technology Data Exchange (ETDEWEB)

    Magerl, Elisabeth

    2011-03-31

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

  19. Photoelectron spectroscopy via electronic spectroscopy of molecular ions

    International Nuclear Information System (INIS)

    Khan, Z.H.

    1990-01-01

    In this work, a new aspect of the correlation between optical and photoelectron spectra is discussed on the basis of which the first ionization potentials of condensed-ring aromatics can be estimated from certain features in the electronic spectra of their positive ions. Furthermore, it is noticed that the first IP's are very sensitive to molecular size as the latter's inclusion in the regression formulas improves the results considerably. Once the first ionization potential for a molecule is determined, its higher IP's may be computed if the lower-energy electronic bands for its cation are known. This procedure is especially useful for such systems whose uv photoelectron spectra are unknown. (author). 11 refs, 10 figs, 1 tab

  20. Band alignment of atomic layer deposited MgO/Zn{sub 0.8}Al{sub 0.2}O heterointerface determined by charge corrected X-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Yan, Baojun, E-mail: yanbj@ihep.ac.cn [State Key Laboratory of Particle Detection and Electronics, Institute of High Energy Physics of Chinese Academy of Sciences, Beijing P. O. Box 100049 (China); Liu, Shulin [State Key Laboratory of Particle Detection and Electronics, Institute of High Energy Physics of Chinese Academy of Sciences, Beijing P. O. Box 100049 (China); Yang, Yuzhen [State Key Laboratory of Particle Detection and Electronics, Institute of High Energy Physics of Chinese Academy of Sciences, Beijing P. O. Box 100049 (China); Department of Physics, Nanjing University, Nanjing P. O. Box 210093 (China); Heng, Yuekun [State Key Laboratory of Particle Detection and Electronics, Institute of High Energy Physics of Chinese Academy of Sciences, Beijing P. O. Box 100049 (China)

    2016-05-15

    Highlights: • Band alignment of MgO/Zn{sub 0.8}Al{sub 0.2}O heterojunction were investigated systematically using charge corrected X-ray photoelectron spectroscopy. • Differential charging phenomenon is observed in determination VBOs of insulator/semiconductor heterojunction. • Valence and conduction band offsets have been determined to be 0.72 ± 0.11 eV and 3.26 ± 0.11 eV, respectively, with a type-II band line-up. - Abstract: Pure magnesium (MgO) and zinc oxide doped with aluminum oxide (Zn{sub 0.8}Al{sub 0.2}O) were prepared via atomic layer deposition. We have studied the structure and band gap of bulk Zn{sub 0.8}Al{sub 0.2}O material by X-ray diffractometer (XRD) and Tauc method, and the band offsets and alignment of atomic layer deposited MgO/Zn{sub 0.8}Al{sub 0.2}O heterointerface were investigated systematically using X-ray photoelectron spectroscopy (XPS) in this study. Different methodologies, such as neutralizing electron gun, the use of C 1s peak recalibration and zero charging method, were applied to recover the actual position of the core levels in insulator materials which were easily influenced by differential charging phenomena. Schematic band alignment diagram, valence band offset (ΔE{sub V}) and conduction band offset (ΔE{sub C}) for the interface of the MgO/Zn{sub 0.8}Al{sub 0.2}O heterostructure have been constructed. An accurate value of ΔE{sub V} = 0.72 ± 0.11 eV was obtained from various combinations of core levels of heterojunction with varied MgO thickness. Given the experimental band gaps of 7.83 eV for MgO and 5.29 eV for Zn{sub 0.8}Al{sub 0.2}O, a type-II heterojunction with a ΔE{sub C} of 3.26 ± 0.11 eV was found. Band offsets and alignment studies of these heterojunctions are important for gaining deep consideration to the design of various optoelectronic devices based on such heterointerface.

  1. Perspective: Electrospray photoelectron spectroscopy: From multiply-charged anions to ultracold anions

    International Nuclear Information System (INIS)

    Wang, Lai-Sheng

    2015-01-01

    Electrospray ionization (ESI) has become an essential tool in chemical physics and physical chemistry for the production of novel molecular ions from solution samples for a variety of spectroscopic experiments. ESI was used to produce free multiply-charged anions (MCAs) for photoelectron spectroscopy (PES) in the late 1990 s, allowing many interesting properties of this class of exotic species to be investigated. Free MCAs are characterized by strong intramolecular Coulomb repulsions, which create a repulsive Coulomb barrier (RCB) for electron emission. The RCB endows many fascinating properties to MCAs, giving rise to meta-stable anions with negative electron binding energies. Recent development in the PES of MCAs includes photoelectron imaging to examine the influence of the RCB on the electron emission dynamics, pump-probe experiments to examine electron tunneling through the RCB, and isomer-specific experiments by coupling PES with ion mobility for biological MCAs. The development of a cryogenically cooled Paul trap has led to much better resolved PE spectra for MCAs by creating vibrationally cold anions from the room temperature ESI source. Recent advances in coupling the cryogenic Paul trap with PE imaging have allowed high-resolution PE spectra to be obtained for singly charged anions produced by ESI. In particular, the observation of dipole-bound excited states has made it possible to conduct vibrational autodetachment spectroscopy and resonant PES, which yield much richer vibrational spectroscopic information for dipolar free radicals than traditional PES

  2. Slow photoelectron imaging spectroscopy of CCO- and CCS-.

    Science.gov (United States)

    Garand, Etienne; Yacovitch, Tara I; Neumark, Daniel M

    2008-08-21

    High-resolution photodetachment spectra of CCO(-) and CCS(-) using slow photoelectron velocity-map imaging spectroscopy are reported. Well-resolved transitions to the neutral X (3)Sigma(-), a (1)Delta, b (1)Sigma(+), and A (3)Pi states are seen for both species. The electron affinities of CCO and CCS are determined to be 2.3107+/-0.0006 and 2.7475+/-0.0006 eV, respectively, and precise term energies for the a (1)Delta, b (1)Sigma(+), and A (3)Pi excited states are also determined. The two low-lying singlet states of CCS are observed for the first time, as are several vibronic transitions within the four bands. Analysis of hot bands finds the spin-orbit orbit splitting in the X (2)Pi ground state of CCO(-) and CCS(-) to be 61 and 195 cm(-1), respectively.

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

    DEFF Research Database (Denmark)

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

    2015-01-01

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

  4. X-ray photoelectron spectroscopy characterization of the ω phase in water quenched Ti-5553 alloy

    International Nuclear Information System (INIS)

    Qin, Dongyang; Lu, Yafeng; Zhang, Kong; Liu, Qian; Zhou, Lian

    2012-01-01

    X-ray photoelectron spectroscopy was used to investigate the ω phase in water quenched Ti-5553 alloy with a nominal composition of Ti–5Al–5V–5Mo–3Cr (wt.%), and the ω and the β phase were distinguished by deconvoluting the XPS spectra of Al2p, V2p and Cr2p core level regions. In addition, it is found that the binding energy of core level electron of alloying elements shifts comparing with that of pure metals, and the fact was interpreted by charge redistribution model. X-ray photoelectron spectroscopy technique could be used to characterize the nano-scale ω phase in β alloys. - Highlights: ► We characterize the ω phase in Ti-5553 alloy by XPS. ► Binding energy of Al2p, V2p and Cr2p electron are different in the ω and β phase. ► Structural difference leads to the binding energy gap.

  5. Characterization of photo-induced valence tautomerism in a cobalt-dioxolene complex by ultrafast spectroscopy

    International Nuclear Information System (INIS)

    Beni, A; Bogani, L; Bussotti, L; Dei, A; Gentili, P L; Righini, R

    2005-01-01

    The valence tautomerism of low-spin Co III (Cat-N-BQ)(Cat-N-SQ) was investigated by means of UV-vis pump-probe transient absorption spectroscopy in chloroform. By exciting the CT transition of the complex at 480 nm, an intramolecular electron transfer process is selectively triggered. The photo-induced charge transfer is pursued by a cascade of two main molecular events characterized by the ultrafast transient absorption spectroscopy: the first gives rise to the metastable high-spin Co II (Cat-N-BQ) 2 that, secondly, reaches the chemical equilibrium with the reactant species

  6. Characterization of photo-induced valence tautomerism in a cobalt-dioxolene complex by ultrafast spectroscopy

    Science.gov (United States)

    Beni, A.; Bogani, L.; Bussotti, L.; Dei, A.; Gentili, P. L.; Righini, R.

    2005-01-01

    The valence tautomerism of low-spin CoIII(Cat-N-BQ)(Cat-N-SQ) was investigated by means of UV-vis pump-probe transient absorption spectroscopy in chloroform. By exciting the CT transition of the complex at 480 nm, an intramolecular electron transfer process is selectively triggered. The photo-induced charge transfer is pursued by a cascade of two main molecular events characterized by the ultrafast transient absorption spectroscopy: the first gives rise to the metastable high-spin CoII(Cat-N-BQ)2 that, secondly, reaches the chemical equilibrium with the reactant species.

  7. Temperature-induced valence transition in EuNi2(Si0.20Ge0.80)2 studied by hard X-ray photoemission spectroscopy

    International Nuclear Information System (INIS)

    Yamamoto, Kazuya; Kamakura, Nozomu; Taguchi, Munetaka; Chainani, Ashish; Takata, Yasutaka; Horiba, Koji; Shin, Shik; Ikenaga, Eiji; Mimura, Kojiro; Shiga, Masayuki; Wada, Hirofumi; Namatame, Hirofumi; Taniguchi, Masaki; Awaji, Mitsuhiro; Takeuchi, Akihisa; Nishino, Yoshinori; Miwa, Daigo; Tamasaku, Kenji; Ishikawa, Tetsuya; Kobayashi, Keisuke

    2005-01-01

    The temperature-induced mixed valence transition in EuNi 2 (Si 0.20 Ge 0.80 ) 2 has been investigated by hard X-ray (5940 eV) photoemission spectroscopy (HX-PES) for fractured surfaces, with a probing depth larger than 5 nm. The Eu 3d core-level states are studied below and above the critical valence transition temperature, T v = 80 K. The HX-PES spectra at 40 and 120 K show the mixed valence transition, with clear changes in the divalent and trivalent Eu 3d chemically shifted features. The Eu 3d HX-PES spectra indicate a mean valence of 2.70 ± 0.03 at 40 K which changes to 2.40 ± 0.03 at 120 K, in good accordance with the results of bulk Eu III -edge X-ray absorption spectroscopy measurements

  8. Assessment of nanocomposite photonic systems with the X-ray photoelectron spectroscopy

    Institute of Scientific and Technical Information of China (English)

    L. Minati; G. Speranza; M. Anderle; M. Ferrari; A. Chiasera; G. C. Righini

    2007-01-01

    The chemical compositions of Ag-Er co-doped phosphate and silicate glasses were investigated with X-ray photoelectron spectroscopy with the purpose to identify the chemical state of silver. The analysis of the Ag 3d core lines show the presence of nanometer-sized silver particles in each of the annealed samples, even if these Ag 3d lines appear to be very different from each other. We explain these results as a different interaction of silver with the two glasses matrix, which leads to a different nucleation rate of the Ag clusters.

  9. Energy band alignment at ferroelectric/electrode interface determined by photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Chen Feng; Wu Wen-Bin; Li Shun-Yi; Klein Andreas

    2014-01-01

    The most important interface-related quantities determined by band alignment are the barrier heights for charge transport, given by the Fermi level position at the interface. Taking Pb(Zr,Ti)O 3 (PZT) as a typical ferroelectric material and applying X-ray photoelectron spectroscopy (XPS), we briefly review the interface formation and barrier heights at the interfaces between PZT and electrodes made of various metals or conductive oxides. Polarization dependence of the Schottky barrier height at a ferroelectric/electrode interface is also directly observed using XPS. (topical review - magnetism, magnetic materials, and interdisciplinary research)

  10. X-ray photoelectron spectroscopy study of the metal/cermet interface

    International Nuclear Information System (INIS)

    Lu Hua; Shen Dianhong; Xue Qikun

    2001-01-01

    Interfacial reactions between aluminium and polycrystalline cermet TiC 0.6 were investigated using x-ray photo-electron spectroscopy, Auger electron spectroscopy and x-ray diffraction. It was found that titanium exists in two chemical states. The carbide and oxide of titanium can be detected simultaneously, and the atomic ratio of Ti:C:O is 5:3:2. This suggests that TiC 0.6 is a Ti-oxycarbide or oxygenated Tic composite: Ti 5 C 3 O 2 (TiO 2 + 4TiC 0.75 ). When Al is deposited in vacuum on the Ti-oxycarbide surface, the active Al atoms react chemically only with TiO 2 at room temperature, but not with TiC 0.75 in Ti-oxycarbide. The reaction products are Al 2 O 3 and the intermetallic compound Al 3 Ti. Annealing the Al/TiC 0.6 interface at 750 degree C, Al reacts also with TiC 0.75 to form a brittle Al 4 C 3 phase

  11. In Situ Ambient Pressure X-ray Photoelectron Spectroscopy of Cobalt Perovskite Surfaces under Cathodic Polarization at High Temperatures

    KAUST Repository

    Crumlin, Ethan J.; Mutoro, Eva; Hong, Wesley T.; Biegalski, Michael D.; Christen, Hans M.; Liu, Zhi; Bluhm, Hendrik; Shao-Horn, Yang

    2013-01-01

    Heterostructured oxide interfaces have demonstrated enhanced oxygen reduction reaction rates at elevated temperatures (∼500-800 C); however, the physical origin underlying this enhancement is not well understood. By using synchrotron-based in situ ambient pressure X-ray photoelectron spectroscopy (APXPS), we focus on understanding the surface electronic structure, elemental composition, and chemical nature of epitaxial La0.8Sr 0.2CoO3-δ (LSC113), (La 0.5Sr0.5)2CoO4±δ (LSC214), and LSC214-decorated LSC113 (LSC 113/214) thin films as a function of applied electrical potentials (0 to -800 mV) at 520 C and p(O2) of 1 × 10-3 atm. Shifts in the top of the valence band binding energy and changes in the Sr 3d and O 1s spectral components under applied bias reveal key differences among the film chemistries, most notably in the degree of Sr segregation to the surface and quantity of active oxygen sites in the perovskite termination layer. These differences help to identify important factors governing the enhanced activity of oxygen electrocatalysis observed for the LSC113/214 heterostructured surface. © 2013 American Chemical Society.

  12. In Situ Ambient Pressure X-ray Photoelectron Spectroscopy of Cobalt Perovskite Surfaces under Cathodic Polarization at High Temperatures

    KAUST Repository

    Crumlin, Ethan J.

    2013-08-08

    Heterostructured oxide interfaces have demonstrated enhanced oxygen reduction reaction rates at elevated temperatures (∼500-800 C); however, the physical origin underlying this enhancement is not well understood. By using synchrotron-based in situ ambient pressure X-ray photoelectron spectroscopy (APXPS), we focus on understanding the surface electronic structure, elemental composition, and chemical nature of epitaxial La0.8Sr 0.2CoO3-δ (LSC113), (La 0.5Sr0.5)2CoO4±δ (LSC214), and LSC214-decorated LSC113 (LSC 113/214) thin films as a function of applied electrical potentials (0 to -800 mV) at 520 C and p(O2) of 1 × 10-3 atm. Shifts in the top of the valence band binding energy and changes in the Sr 3d and O 1s spectral components under applied bias reveal key differences among the film chemistries, most notably in the degree of Sr segregation to the surface and quantity of active oxygen sites in the perovskite termination layer. These differences help to identify important factors governing the enhanced activity of oxygen electrocatalysis observed for the LSC113/214 heterostructured surface. © 2013 American Chemical Society.

  13. Spectroscopy of 211Rn approaching the valence limit

    International Nuclear Information System (INIS)

    Davidson, P.M.; Dracoulis, G.D.; Kibedi, T.; Fabricius, B.; Baxter, A.M.; Stuchbery, A.E.; Poletti, A.R.; Schiffer, K.J.

    1993-02-01

    High spin states in 211 Rn were populated using the reaction 198 Pt( 18 O,5n) at 96 MeV. The decay was studied using γ-ray and electron spectroscopy. The known level scheme is extended up to a spin of greater than 69/2 and many non-yrast states are added. Semi-empirical shell model calculations and the properties of related states in 210 Rn and 212 Rn are used to assign configurations to some of the non-yrast states. The properties of the high spin states observed are compared to the predictions of the Multi-Particle Octupole Coupling model and the semi-empirical shell model. The maximum reasonable spin available from the valence particles and holes is 77/2 and states are observed to near this limit. 12 refs., 4 tabs., 8 figs

  14. Surface analysis of Al alloys with X-ray photoelectron and Auger electron spectroscopies

    International Nuclear Information System (INIS)

    Sakairi, Masatoshi; Suzuki, Keita; Sasaki, Ryo

    2015-01-01

    In this paper, X-ray photoelectron spectroscopy (XPS) and Auger electron spectroscopy (AES) were applied to investigate passive films formed on aluminum alloy in 0.5 kmol m -3 H 3 BO 3 /0.05 kmol m -3 Na 2 B 4 O 7 with different metal cations. The metal cation is classified by metal cation hardness, X, which are calculated based on the concept of hard and soft acids and bases (HSAB) of the acid and base in Lewis's rule. From XPS analysis, the metal cations with X > 4 were incorporated in passive films. The area-selected surface analysis of AES was also introduced. (author)

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

    DEFF Research Database (Denmark)

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

    1985-01-01

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

  16. Effect of oxide charge trapping on x-ray photoelectron spectroscopy of HfO2/SiO2/Si structures

    International Nuclear Information System (INIS)

    Abe, Yasuhiro; Miyata, Noriyuki; Suzuki, Haruhiko; Kitamura, Koji; Igarashi, Satoru; Nohira, Hiroshi; Ikenaga, Eiji

    2009-01-01

    We examined the effects of interfacial SiO 2 layers and a surface metal layer on the photoelectron spectra of HfO 2 /SiO 2 /Si structures by hard X-ray photoemission spectroscopy with synchrotron radiation as well as conventional X-ray photoelectron spectroscopy (XPS). The Hf 4f and Hf 3d photoelectron peaks broadened and shifted toward a higher binding energy with increasing thickness of the interfacial SiO 2 layer, even though photoelectrons may have been emitted from the HfO 2 layer with the same chemical composition. Thinning the interfacial Si oxide layer to approximately one monolayer and depositing a metal layer on the HfO 2 surface suppressed these phenomena. The O 1s photoelectron spectra revealed marked differences between the metal- and nonmetal-deposited HfO 2 /SiO 2 /Si structures; HfO 2 and SiO 2 components in the O 1s photoelectron spectra for the metal-deposited structures were observed at reasonably separated binding energies, but those for the nonmetal-deposited structures were not separated clearly. From this behavior concerning the effects of interfacial SiO 2 and surface metal layers, we concluded that the Hf 4f, Hf 3d, and O 1s spectra measured from the HfO 2 /SiO 2 /Si structures did not reflect actual chemical bonding states. We consider that potential variations in the HfO 2 film owing to charge trapping strongly affect the measured photoelectron spectra. On the basis of angle-resolved XPS measurements, we propose that positive charges are trapped at the HfO 2 surface and negative charges are trapped inside the HfO 2 layer. (author)

  17. Photoelectron spectroscopic and microspectroscopic probes of ferroelectrics

    Science.gov (United States)

    Tǎnase, Liviu C.; Abramiuc, Laura E.; Teodorescu, Cristian M.

    2017-12-01

    This contribution is a review of recent aspects connected with photoelectron spectroscopy of free ferroelectric surfaces, metals interfaced with these surfaces, graphene-like layers together with some exemplifications concerning molecular adsorption, dissociations and desorptions occurring from ferroelectrics. Standard photoelectron spectroscopy is used nowadays in correlation with other characterization techniques, such as piezoresponse force microscopy, high resolution transmission electron spectroscopy, and ferroelectric hysteresis cycles. In this work we will concentrate mainly on photoelectron spectroscopy and spectro-microscopy characterization of ferroelectric thin films, starting from atomically clean ferroelectric surfaces of lead zirco-titanate, then going towards heterostructures using this material in combination with graphene-like carbon layers or with metals. Concepts involving charge accumulation and depolarization near surface will be revisited by taking into account the newest findings in this area.

  18. Valence electronic structure of cobalt phthalocyanine from an optimally tuned range-separated hybrid functional.

    Science.gov (United States)

    Brumboiu, Iulia Emilia; Prokopiou, Georgia; Kronik, Leeor; Brena, Barbara

    2017-07-28

    We analyse the valence electronic structure of cobalt phthalocyanine (CoPc) by means of optimally tuning a range-separated hybrid functional. The tuning is performed by modifying both the amount of short-range exact exchange (α) included in the hybrid functional and the range-separation parameter (γ), with two strategies employed for finding the optimal γ for each α. The influence of these two parameters on the structural, electronic, and magnetic properties of CoPc is thoroughly investigated. The electronic structure is found to be very sensitive to the amount and range in which the exact exchange is included. The electronic structure obtained using the optimal parameters is compared to gas-phase photo-electron data and GW calculations, with the unoccupied states additionally compared with inverse photo-electron spectroscopy measurements. The calculated spectrum with tuned γ, determined for the optimal value of α = 0.1, yields a very good agreement with both experimental results and with GW calculations that well-reproduce the experimental data.

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

    Energy Technology Data Exchange (ETDEWEB)

    Goldmann, Maximilian; Miguel-Sánchez, Javier; West, Adam H. C.; Yoder, Bruce L.; Signorell, Ruth, E-mail: rsignorell@ethz.ch [Laboratory of Physical Chemistry, ETH Zürich, Vladimir-Prelog-Weg 2, 8093 Zürich (Switzerland)

    2015-06-14

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

  20. Characterization of photo-induced valence tautomerism in a cobalt-dioxolene complex by ultrafast spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Beni, A [Dipartimento di Chimica, Universita di Firenze, via della Lastruccia 3, 50019 Sesto Fiorentino, Florence (Italy); Bogani, L [Dipartimento di Chimica, Universita di Firenze, via della Lastruccia 3, 50019 Sesto Fiorentino, Florence (Italy); Bussotti, L [LENS, Universita di Firenze, Via Nello Carrara 1, 50019 Sesto Fiorentino, Florence (Italy); Dei, A [Dipartimento di Chimica, Universita di Firenze, via della Lastruccia 3, 50019 Sesto Fiorentino, Florence (Italy); Gentili, P L [LENS, Universita di Firenze, Via Nello Carrara 1, 50019 Sesto Fiorentino, Florence (Italy); Righini, R [Dipartimento di Chimica, Universita di Firenze, via della Lastruccia 3, 50019 Sesto Fiorentino, Florence (Italy)

    2005-01-01

    The valence tautomerism of low-spin Co{sup III}(Cat-N-BQ)(Cat-N-SQ) was investigated by means of UV-vis pump-probe transient absorption spectroscopy in chloroform. By exciting the CT transition of the complex at 480 nm, an intramolecular electron transfer process is selectively triggered. The photo-induced charge transfer is pursued by a cascade of two main molecular events characterized by the ultrafast transient absorption spectroscopy: the first gives rise to the metastable high-spin Co{sup II}(Cat-N-BQ){sub 2} that, secondly, reaches the chemical equilibrium with the reactant species.

  1. X-ray and photoelectron spectroscopy of the structure, reactivity, and electronic structure of semiconductor nanocrystals

    Energy Technology Data Exchange (ETDEWEB)

    Hamad, Kimberly Sue [Univ. of California, Berkeley, CA (United States)

    2000-01-01

    Semiconductor nanocrystals are a system which has been the focus of interest due to their size dependent properties and their possible use in technological applications. Many chemical and physical properties vary systematically with the size of the nanocrystal and thus their study enables the investigation of scaling laws. Due to the increasing surface to volume ratio as size is decreased, the surfaces of nanocrystals are expected to have a large influence on their electronic, thermodynamic, and chemical behavior. In spite of their importance, nanocrystal surfaces are still relatively uncharacterized in terms of their structure, electronic properties, bonding, and reactivity. Investigation of nanocrystal surfaces is currently limited by what techniques to use, and which methods are suitable for nanocrystals is still being determined. This work presents experiments using x-ray and electronic spectroscopies to explore the structure, reactivity, and electronic properties of semiconductor (CdSe, InAs) nanocrystals and how they vary with size. Specifically, x-ray absorption near edge spectroscopy (XANES) in conjunction with multiple scattering simulations affords information about the structural disorder present at the surface of the nanocrystal. X-ray photoelectron spectroscopy (XPS) and ultra-violet photoelectron spectroscopy (UPS) probe the electronic structure in terms of hole screening, and also give information about band lineups when the nanocrystal is placed in electric contact with a substrate. XPS of the core levels of the nanocrystal as a function of photo-oxidation time yields kinetic data on the oxidation reaction occurring at the surface of the nanocrystal.

  2. Study of iron valence state and position in sub-site by Moessbauer spectroscopy

    International Nuclear Information System (INIS)

    Uhm, Young Rang; Lim, Jae Cheong; KIm, Chul Sung; Son, Kwang Jae

    2014-01-01

    The magnetic ordering temperature and the magnitude of the magnetic fields at the iron sites of YIG can be influenced by substituting, either partially or totally, the Fe 3+ ions at the octahedral and/or the tetrahedral sites with magnetic or diamagnetic ions, and/or by substitution the Y 3+ ions at the dodecahedral sites with magnetic rare earth ions. It has been known for some time that Moessbauer spectroscopy is a powerful method by which iron-containing garnets can be studied. We report here on the synthesis of the compounds with garnet-related structures of composition Y 3 Fe 4.5 Cr 0.5 O 12 and its examination by 57 Fe Moessbauer spectroscopy. The chromium in compounds of the Y 3 Fe 4.5 Cr 0.5 O 12 is distributed at an octahedral site. The Moessbauer spectra can be analyzed using 3 or 4 sets of six Lorentzians with increasing amount of Cr 3+ compounds in this system. It results from the distribution ( 4 C n ) of Fe 3+ and Cr 3+ at an octahedral site. A comparative study of ferrous tablets of Dynabi was carried out using Moessbauer spectroscopy. The obtained results revealed the presence of ferrous (Fe 2+ ) gluconate and ferrous fumarate in a sample. This observation is important to better control the iron state in such medicaments because their pharmaceutical effect in the body is related to the form and valence of iron. The Cr-containing yttrium iron garnet (YIG), and the exchange interactions and site distributions were studied using 57 Fe Moessbauer spectroscopy. The obtained results revealed the presence of ferrous (Fe 2+ ) gluconate and ferrous fumarate in the sample. This observation is important better control the iron state in such medicaments because their pharmaceutical effect in the body is related to the form and valence of iron

  3. Ultraviolet photoelectron spectroscopy investigation of interface formation in an indium-tin oxide/fluorocarbon/organic semiconductor contact

    International Nuclear Information System (INIS)

    Tong, S.W.; Lau, K.M.; Sun, H.Y.; Fung, M.K.; Lee, C.S.; Lifshitz, Y.; Lee, S.T.

    2006-01-01

    It has been demonstrated that hole-injection in organic light-emitting devices (OLEDs) can be enhanced by inserting a UV-illuminated fluorocarbon (CF x ) layer between indium-tin oxide (ITO) and organic hole-transporting layer (HTL). In this work, the process of interface formation and electronic properties of the ITO/CF x /HTL interface were investigated with ultraviolet photoelectron spectroscopy. It was found that UV-illuminated fluorocarbon layer decreases the hole-injection barrier from ITO to α-napthylphenylbiphenyl diamine (NPB). Energy level diagrams deduced from the ultraviolet photoelectron spectroscopy (UPS) spectra show that the hole-injection barrier in ITO/UV-treated CF x /NPB is the smallest (0.46 eV), compared to that in the ITO/untreated CF x /NPB (0.60 eV) and the standard ITO/NPB interface (0.68 eV). The improved current density-voltage (I-V) characteristics in the UV-treated CF x -coated ITO contact are consistent with its smallest barrier height

  4. X-ray photoelectron spectroscopy study of the functionalization of carbon metal-containing nanotubes with phosphorus atoms

    International Nuclear Information System (INIS)

    Shabanova, I.N.; Terebova, N.S.

    2013-01-01

    Highlights: •Carbon metal-containing nanotubes (Me–Cu, Ni, Fe) were functionalized with chemical groups containing different concentrations of phosphorous. •The C1s and Me3s spectra were measured by the X-ray photoelectron spectroscopy method. •The values of the atomic magnetic moment of the carbon metal-containing nanotubes were determined. -- Abstract: In the present paper, carbon metal-containing (Me: Cu, Ni, Fe) nanotubes functionalized with phosphorus atoms (ammonium polyphosphate) were studied by X-ray photoelectron spectroscopy (XPS) on an X-ray electron magnetic spectrometer. It is found that the functionalization leads to the change of the metal atomic magnetic moment, i.e. the value of the atomic magnetic moment in the functionalized carbon metal-containing (Cu, Ni, Fe) nanotubes increases and is higher than that in pristine nanotubes. It is shown that the covalent bond of Me and P atoms is formed. This leads to an increase in the activity of the nanostructure surface which is necessary for the modification of materials

  5. Microscopic optical and photoelectron measurements of MWO4 (M=Mn, Fe, and Ni)

    International Nuclear Information System (INIS)

    Ejima, T.; Banse, T.; Takatsuka, H.; Kondo, Y.; Ishino, M.; Kimura, N.; Watanabe, M.; Matsubara, I.

    2006-01-01

    Microscopic optical (absorption and reflection) and ultraviolet photoelectron spectroscopy (UPS) measurements were performed on single microcrystals of transition-metal tungstates, MWO 4 (M=Mn, Fe, and Ni) at room temperature using Schwarzschild objectives and laboratory light sources. The diameters of the spots were 40 μm (optical) and 13 μm (UPS). From the reflectance spectra, the absorption coefficient spectra were obtained through Kramers-Kronig analyses. The weak structures of absorption spectra attributed to the d-d transitions in transition metals suggest that the M3d states contribute to the upper part of the valence band. The UPS spectra suggest that the O2p and M3d states hybridize and spread wide in the valence band. The bottom of the conduction band is attributed to the empty M3d state in NiWO 4 , but the empty M4s states in FeWO 4 and MnWO 4 . The contribution of the W5d state in the conduction band is located in the higher energy side

  6. Investigation of photoelectronic processes in CdIn2S4 by photoinduced current transient spectroscopy

    International Nuclear Information System (INIS)

    Serpi, A.

    1986-01-01

    Photoelectronic processes in CdIn 2 S 4 are investigated by four-gate photoinduced current transient spectroscopy. In general the photocurrent decay transients are non-exponential because of a nonlinear multichannel recombination mechanism. Nevertheless suitable extrinsic excitation allows to open one recombination channel only and so to evidence a purely exponential relaxation. The detailed analysis of this process leads to the interpretation that the defects associated with the energy levels continuously distributed below the conduction band act as relay centres for radiative recombination of photoelectrons rather than as thermal emitting traps. An electron trapping level located at about 0.6 eV from the bottom of the conduction band is also evidenced. (author)

  7. The uranium valence in the Cs-U-O system: crystal structures and thin layers contribution to the physico-chemical study of grain boundaries in irradiated fuel

    International Nuclear Information System (INIS)

    Van Den Berghe, S.

    2002-01-01

    The document is an abstract of a PhD thesis. The PhD thesis investigates the way in which cesium, through its effect on oxygen, modifies the uranium environment and in consequence the valence state of the uranium atom itself. To this end, the crystallographic structure and local uranium environment of several uranium uranates has been determined by Rietveld refinement of neutron and X-ray diffraction data. Thin layers of stoichiometric uranium dioxide were prepared using sputter deposition techniques and used to model interactions on the grain boundaries. They were covered with cesium and exposed to controlled amounts of oxygen, while the uranium valence state was monitored with Ultraviolet Photoelectron Spectroscopy and XPS

  8. p-Type dopant incorporation and surface charge properties of catalyst-free GaN nanowires revealed by micro-Raman scattering and X-ray photoelectron spectroscopy.

    Science.gov (United States)

    Wang, Q; Liu, X; Kibria, M G; Zhao, S; Nguyen, H P T; Li, K H; Mi, Z; Gonzalez, T; Andrews, M P

    2014-09-07

    Micro-Raman scattering and X-ray photoelectron spectroscopy were employed to investigate Mg-doped GaN nanowires. With the increase of Mg doping level, pronounced Mg-induced local vibrational modes were observed. The evolution of longitudinal optical phonon-plasmon coupled mode, together with detailed X-ray photoelectron spectroscopy studies, show that the near-surface region of nanowires can be transformed from weakly n-type to p-type with the increase of Mg doping.

  9. Photoelectron imaging spectroscopy for (2+1) resonance-enhanced multiphoton ionization of atomic bromine

    International Nuclear Information System (INIS)

    Kim, Yong Shin; Jung, Young Jae; Kang, Wee Kyung; Jung, Kyung Hoon

    2002-01-01

    Two-photon resonant third photon ionization of atomic bromine (4p 5 2 P 3/2 and 2 P 1/2 ) has been studied using a photoelectron imaging spectroscopy in the wavelength region 250-278 nm. The technique has yielded simultaneously both relative branching ratios to the three levels of Br + ( 3 P 2 , 3 P 0,1 and 1 D 2 ) with 4p 4 configuration and the angular distributions of outgoing photoelectrons. The product branching ratios reveal a strong propensity to populate particular levels in many cases. Several pathways have been documented for selective formation of Br + ( 3 P 2 ) and Br + ( 3 P 0,1 ) ions. In general, the final ion level distributions are dominated by the preservation of the ion core configuration of a resonant excited state. Some deviations from this simple picture are discussed in terms of the configuration interaction of resonant states and the autoionization in the continuum. The photoelectron angular distributions are qualitatively similar for all transitions, with a positive A 2 anisotropy coefficient of 1.0 - 2.0 and negligible A 4 in most cases, which suggests that the angular distribution is mainly determined by the single-photon ionization process of a resonant excited state induced from the third photon absorption

  10. Oxygen vacancies at the spinel/perovskite γ-Al{sub 2}O{sub 3}/SrTiO{sub 3} heterointerface probed by resonant photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Schuetz, Philipp; Pfaff, Florian; Zapf, Michael; Gabel, Judith; Dudy, Lenart; Berner, Goetz; Sing, Michael; Claessen, Ralph [Physikalisches Institut and Roentgen Center for Complex Material Systems (RCCM), Universitaet Wuerzburg (Germany); Chen, Yunzhong; Pryds, Nini [Department of Energy Conversion and Storage, Technical University of Denmark, Risoe (Denmark); Schlueter, Christoph; Lee, Tien-Lin [Diamond Light Source Ltd., Harwell Science and Innovation Campus, Didcot (United Kingdom)

    2016-07-01

    The spinel/perovskite heterointerface between the band insulators γ-Al{sub 2}O{sub 3} and SrTiO{sub 3} hosts a two-dimensional electron system (2DES) with exceptionally high electron mobility. Soft x-ray resonant photoelectron spectroscopy at the Ti L absorption edge is used to probe the Ti 3d derived interface states. Marked differences in the resonance behavior are found for the SrTiO{sub 3} valence band and the different interface states, which are observed in the band gap of SrTiO{sub 3}. A comparison to X-ray absorption spectra of Ti 3d{sup 0} and Ti 3d{sup 1} systems reveals the presence of different types of electronic states with Ti 3d character, i.e., oxygen vacancy induced, trapped in-gap states and itinerant states contributing to the 2DES. Exposure to low doses of oxygen during irradiation allows for the reversible manipulation of the oxygen stoichiometry, thus revealing the presence of an oxygen vacancy-induced state, which is characteristic for this spinel/perovskite interface.

  11. Characterization of Colloidal Quantum Dot Ligand Exchange by X-ray Photoelectron Spectroscopy

    Science.gov (United States)

    Atewologun, Ayomide; Ge, Wangyao; Stiff-Roberts, Adrienne D.

    2013-05-01

    Colloidal quantum dots (CQDs) are chemically synthesized semiconductor nanoparticles with size-dependent wavelength tunability. Chemical synthesis of CQDs involves the attachment of long organic surface ligands to prevent aggregation; however, these ligands also impede charge transport. Therefore, it is beneficial to exchange longer surface ligands for shorter ones for optoelectronic devices. Typical characterization techniques used to analyze surface ligand exchange include Fourier-transform infrared spectroscopy, x-ray diffraction, transmission electron microscopy, and nuclear magnetic resonance spectroscopy, yet these techniques do not provide a simultaneously direct, quantitative, and sensitive method for evaluating surface ligands on CQDs. In contrast, x-ray photoelectron spectroscopy (XPS) can provide nanoscale sensitivity for quantitative analysis of CQD surface ligand exchange. A unique aspect of this work is that a fingerprint is identified for shorter surface ligands by resolving the regional XPS spectrum corresponding to different types of carbon bonds. In addition, a deposition technique known as resonant infrared matrix-assisted pulsed laser evaporation is used to improve the CQD film uniformity such that stronger XPS signals are obtained, enabling more accurate analysis of the ligand exchange process.

  12. Valence and conduction band offsets at low-k a-SiO{sub x}C{sub y}:H/a-SiC{sub x}N{sub y}:H interfaces

    Energy Technology Data Exchange (ETDEWEB)

    King, Sean W., E-mail: sean.king@intel.com; Brockman, Justin; French, Marc; Jaehnig, Milt; Kuhn, Markus [Logic Technology Development, Intel Corporation, Hillsboro, Oregon 97124 (United States); French, Benjamin [Ocotillo Materials Laboratory, Intel Corporation, Chandler, Arizona 85248 (United States)

    2014-09-21

    In order to understand the fundamental electrical leakage and reliability failure mechanisms in nano-electronic low-k dielectric/metal interconnect structures, we have utilized x-ray photoelectron spectroscopy and reflection electron energy loss spectroscopy to determine the valence and conduction band offsets present at interfaces between non-porous and porous low-k a-SiO{sub x}C{sub y}:H interlayer dielectrics and a-SiC{sub x}N{sub y}:H metal capping layers. The valence band offset for such interfaces was determined to be 2.7±0.2 eV and weakly dependent on the a-SiOC:H porosity. The corresponding conduction band offset was determined to be 2.1±0.2 eV. The large band offsets indicate that intra metal layer leakage is likely dominated by defects and trap states in the a-SiOC:H and a-SiCN:H dielectrics.

  13. Tribocharging in electrostatic beneficiation of coal: Effects of surface composition on work function as measured by x-ray photoelectron spectroscopy and ultraviolet photoelectron spectroscopy in air

    International Nuclear Information System (INIS)

    Trigwell, S.; Mazumder, M.K.; Pellissier, R.

    2001-01-01

    The cleaning of coal by electrostatic beneficiation is based on tribocharging characteristics of pulverized coal particles with diameter smaller than 120 μm. The tribocharging process should be such that the organic coal particles must charge with a polarity opposite to that of the sulfur and the mineral containing particles so that coal can be separated from minerals by using a charge separator. However, the charge distribution of electrostatically separated coal particles indicates that coal exhibits bipolar charging. A significant fraction of the coal particles charges negatively which appears to be in conflict with expectations in that the organic coal particles should charge positively, and the mineral particles, present as impurities such as pyrite, charge negatively when tribocharged against copper. The relative work functions of the particles (coal and mineral) and that of the metal surface (copper or stainless steel) used for tribocharging predict these expected results. However, ultraviolet photoelectron spectroscopy (UPS) measurements in air on specimens of three different coal species, showed the work function to be approximately 5.4 eV, which is higher than a reported measured work function of 3.93 eV. Studies by UPS and x-ray photoelectron spectroscopy on copper, stainless steel, aluminum, and other commonly used tribocharging materials such as nylon and polytetrafluorethylene, as well as pure pyrite, showed that the work function varied considerably as a function of surface composition. Therefore, the reason for the bipolar charging of the coal particles may be the too small differences in work functions between coal powder and copper used as the charging material. The choice of a material for impaction triboelectric charging for coal or mineral separation should therefore depend upon the actual work function as modified by the ambient conditions such as moisture content and the oxidation of the surface

  14. Resonant photoelectron spectroscopy at the Mo 4p→4d absorption edge in MoS2

    International Nuclear Information System (INIS)

    Lince, J.R.; Didziulis, S.V.; Yarmoff, J.A.

    1991-01-01

    A systematic study has been conducted of the resonant behavior of the valence-band photoelectron spectrum of MoS 2 for hν=26--70 eV, spanning the Mo 4p→4d transition region. A broad Fano-like resonance appears at ∼42 eV in the constant-initial-state (CIS) intensity plot of the d z 2 peak near the valence-band maximum [∼2 eV binding energy (BE)], confirming its predominantly Mo 4d character. A second shoulder on the higher-hν side of the maximum in the d z 2 CIS intensity plot is suggested to result from transitions to unoccupied states in the 5sp band ∼10 eV above E F , by comparison with a partial-yield spectrum and previous inverse-photoemission data. The region of the valence band in the range 3--4.5-eV BE also exhibits resonant behavior, indicating Mo 4d character, although somewhat less than for the d z 2 peak. The 5--7-eV BE range does not exhibit resonance behavior at the Mo 4p edge and, therefore, contains negligible Mo 4d character. A feature at ∼30 eV in the CIS intensity plot for the 5--7-eV BE range could not be definitively assigned in this study, but may be due to a resonance between direct photoemission and a process involving absorption and autoionization of electronic states that contain Mo 5s and 5p character

  15. Effective attenuation lengths for quantitative determination of surface composition by Auger-electron spectroscopy and X-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Jablonski, A.; Powell, C.J.

    2017-01-01

    Highlights: • Effective attenuation lengths (EALs) for determination of surface composition by XPS. • Considerable difference from EALs used for overlayer thickness measurements. • New analytical algorithms for calculating the effective attenuation length. - Abstract: The effective attenuation length (EAL) is normally used in place of the inelastic mean free path (IMFP) to account for elastic-scattering effects when describing the attenuation of Auger electrons and photoelectrons from a planar substrate by an overlayer film. An EAL for quantitative determination of surface composition by Auger-electron spectroscopy (AES) or X-ray photoelectron spectroscopy (XPS) is similarly useful to account for elastic-scattering effects on the signal intensities. We calculated these EALs for four elemental solids (Si, Cu, Ag, and Au) and for energies between 160 eV and 1.4 keV. The XPS calculations were made for two instrumental configurations while the AES calculations were made from the XPS formalism after “switching off” the XPS anisotropy. The EALs for quantitative determination of surface composition by AES and XPS were weak functions of emission angle for emission angles between 0 and 50°. The ratios of the average values of these EALs to the corresponding IMFPs could be fitted to a second-order function of the single-scattering albedo, a convenient measure of the strength of elastic-scattering effects. EALs for quantitative determination of surface composition by AES and XPS for other materials can be simply found from this relationship.

  16. Alkyl-terminated Si(111) surfaces: A high-resolution, core level photoelectron spectroscopy study

    Energy Technology Data Exchange (ETDEWEB)

    Terry, J.; Linford, M.R.; Wigren, C.; Cao, R.; Pianetta, P.; Chidsey, C.E. [Stanford University, Stanford, California 94309 (United States)

    1999-01-01

    The bonding of alkyl monolayers to Si(111) surfaces has been studied with high-resolution core level photoelectron spectroscopy (PES). Two very different wet-chemical methods have been used to prepare the alkyl monolayers: (i) Olefin insertion into the H{endash}Si bond of the H{endash}Si(111) surface, and (ii) replacement of Cl on the Cl{endash}Si(111) surface by an alkyl group from an alkyllithium reagent. In both cases, PES has revealed a C 1s component shifted to lower binding energy and a Si 2p component shifted to higher binding energy. Both components are attributed to the presence of a C{endash}Si bond at the interface. Along with photoelectron diffraction data [Appl. Phys. Lett. {bold 71}, 1056, (1997)], these data are used to show that these two synthetic methods can be used to functionalize the Si(111) surface. {copyright} {ital 1999 American Institute of Physics.}

  17. Excitation dynamics of dye doped tris(8-hydroxy quinoline) aluminum films studied using time-resolved photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Read, K.; Karlsson, H. S.; Murnane, M. M.; Kapteyn, H. C.; Haight, R.

    2001-01-01

    In this work, we use excite-probe photoelectron spectroscopy to study the decay of electronic excitation in tris(8-hydroxy quinoline) aluminum (Alq) doped with the organic dye 4-dicyanomethylene-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran (DCM). Ultrashort laser pulses are used to photoexcite electrons into unoccupied molecular orbitals, and the ensuing decay rate is directly observed using photoelectron spectroscopy. Decay of the electronic excitation is studied as a function of DCM doping percentage and excitation intensity. The decay rate is seen to increase with both doping percentage and excitation intensity. These data are explained using a model including Foerster transfer, stimulated emission, concentration quenching, and bimolecular singlet - singlet exciton annihilation. In this model, we find that it is necessary to include a very fast (faster than predicted in standard Foerster transfer theory) excitation transfer of a fraction of the excitation from the Alq to the DCM, where that fraction corresponds to the approximate nearest-neighbor population. [copyright] 2001 American Institute of Physics

  18. Study of radicals, clusters and transition state species by anion photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Arnold, D.W.

    1994-08-01

    Free radicals, elemental and van der Waals clusters and transition state species for bimolecular chemical reactions are investigated using anion photoelectron spectroscopy. Several low-lying electronic states of ozone have been identified via photoelectron spectroscopy of O 3 - . A characterization of these states is important to models for atmospheric ozone reaction kinetics. The fluoroformyloxyl radical, FCO 2 , has been investigated, providing vibrational frequencies and energies for two electronic states. The technique has also been employed to make the first direct observation and characterization of the NNO 2 molecule. Several electronic states are observed for this species which is believed to play a role as a reactive intermediate in the N + NO 2 reaction. The experimental results for all three of these radicals are supplemented by ab initio investigations of their molecular properties. The clusters investigations include studies of elemental carbon clusters (C 2 - - C 11 - ), and van der Waals clusters (X - (CO 2 ) n , X = I, Br, Cl; n ≤ 13 and I - (N 2 O) n=1--11 ). Primarily linear clusters are observed for the smaller carbon clusters, while the spectra of the larger clusters contain contribution from cyclic anion photodetachment. Very interesting ion-solvent interactions are observed in the X - (CO 2 )n clusters. The transition state regions for several bimolecular chemical reactions have also been investigated by photodetachment of a negative ion precursor possessing a geometry similar to that of the transition state species. These spectra show features which are assigned to motions of the unstable neutral complex existing between reactants and products

  19. The electronic states of 1,2,3-triazole studied by vacuum ultraviolet photoabsorption and ultraviolet photoelectron spectroscopy, and a comparison with ab initio configuration interaction methods

    DEFF Research Database (Denmark)

    Palmer, Michael H.; Hoffmann, Søren Vrønning; Jones, Nykola C.

    2011-01-01

    The Rydberg states in the vacuum ultraviolet photoabsorption spectrum of 1,2,3-triazole have been measured and analyzed with the aid of comparison to the UV valence photoelectron ionizations and the results of ab initio configuration interaction (CI) calculations. Calculated electronic ionization...... and excitation energies for singlet, triplet valence, and Rydberg states were obtained using multireference multiroot CI procedures with an aug-cc-pVTZ [5s3p3d1f] basis set and a set of Rydberg [4s3p3d3f] functions. Adiabatic excitation energies obtained for several electronic states using coupled...... are the excitations consistent with an f-series....

  20. Practical chemical analysis of Pt and Pd based heterogeneous catalysts with hard X-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Yoshikawa, H., E-mail: YOSHIKAWA.Hideki@nims.go.jp [National Institute for Materials Science, 1-2-1 Sengen, Tsukuba, Ibaraki 305-0047 (Japan); Matolínová, I.; Matolín, V. [Charles University in Prague, Faculty of Mathematics and Physics, V Holešovičkách 2, 18000 Prague 8 (Czech Republic)

    2013-10-15

    Highlights: •Hard X-ray photoelectron spectroscopy (HAXPES) enables interface analysis of catalyst. •HAXPES enables overall analysis of porous film of Pt-doped CeO{sub 2} and related catalyst. •HAXPES enables analysis of trace elements for Pd and Pt{sub 3}Ni nanoparticle catalysts. -- Abstract: Interfacial properties including configuration, porosity, chemical states, and atomic diffusion greatly affect the performance of supported heterogeneous catalysts. Hard X-ray photoelectron spectroscopy (HAXPES) can be used to analyze the interfaces of heterogeneous catalysts because of its large information depth of more than 20 nm. We use HAXPES to examine Pt-doped CeO{sub 2} and related thin film catalysts evaporated on Si, carbon, and carbon nanotube substrates, because Pt-doped CeO{sub 2} has great potential as a noble metal-based heterogeneous catalyst for fuel cells. The HAXPES measurements clarify that the dopant material, substrate material, and surface pretreatment of substrate are important parameters that affect the interfacial properties of Pt-doped CeO{sub 2} and related thin film catalysts. Another advantage of HAXPES measurement of heterogeneous catalysts is that it can be used for chemical analysis of trace elements by detecting photoelectrons from deep core levels, which have large photoionization cross-sections in the hard X-ray region. We use HAXPES for chemical analysis of trace elements in Pd nanoparticle catalysts immobilized on sulfur-terminated substrates and Pt{sub 3}Ni nanoparticle catalysts enveloped by dendrimer molecules.

  1. Band alignment of HfO{sub 2}/multilayer MoS{sub 2} interface determined by x-ray photoelectron spectroscopy: Effect of CHF{sub 3} treatment

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Xinke; He, Jiazhu; Tang, Dan; Jia, Fang; Lu, Youming, E-mail: ymlu@szu.edu.cn; Zhu, Deliang; Liu, Wenjun; Cao, Peijiang; Han, Sun [College of Materials Science and Engineering, Shenzhen Engineering Laboratory for Advanced Technology of Ceramics, Nanshan District Key Lab for Biopolymer and Safety Evaluation, Shenzhen University, 3688 Nanhai Ave, Shenzhen 518060 (China); Liu, Qiang; Wen, Jiao; Yu, Wenjie, E-mail: casan@mail.sim.ac.cn [State Key Laboratory of Functional Materials for Informatics, Shanghai Institute of Microsystem and Information Technology, CAS,865 Chang Ning Road, Shanghai 200050 (China); Pan, Jisheng [Institute of Materials Research and Engineering, Agency for Science Technology and Research, Singapore 117602 (Singapore); He, Zhubing [Department of Materials Science and Engineering, South University of Science and Technology of China, 1088 Xueyuan Road, Shenzhen 518055 (China); Ang, Kah-Wee [Department of Electrical and Computer Engineering, National University of Singapore, 4 Engineering Drive 3, Singapore 117583 (Singapore)

    2015-09-07

    The energy band alignment between HfO{sub 2}/multilayer (ML)-MoS{sub 2} was characterized using high-resolution x-ray photoelectron spectroscopy. The HfO{sub 2} was deposited using an atomic layer deposition tool, and ML-MoS{sub 2} was grown by chemical vapor deposition. A valence band offset (VBO) of 1.98 eV and a conduction band offset (CBO) of 2.72 eV were obtained for the HfO{sub 2}/ML-MoS{sub 2} interface without any treatment. With CHF{sub 3} plasma treatment, a VBO and a CBO across the HfO{sub 2}/ML-MoS{sub 2} interface were found to be 2.47 eV and 2.23 eV, respectively. The band alignment difference is believed to be dominated by the down-shift in the core level of Hf 4d and up-shift in the core level of Mo 3d, or the interface dipoles, which caused by the interfacial layer in rich of F.

  2. Orbital momentum distribution and binding energies for the complete valence shell of molecular chlorine by electron momentum spectroscopy

    International Nuclear Information System (INIS)

    Frost, L.; Grisogono, A.M.; McCarthy, I.E.

    1986-10-01

    The complete valence shell binding energy spectrum (10-50 eV) of Cl 2 has been determined using electron momentum (binary (e,2e)) spectroscopy. The inner valence region, corresponding to 4σ u and 4σ g ionization, has been measured for the first time and shows extensive splitting of the ionization strength due to electron correlation effects. These measurements are compared with the results of many-body calculations using Green's function and CI methods employing unpolarised as well as polarised wave functions. Momentum distributions, measured in both the outer and inner valence regions, are compared with calculations using a range of unpolarised and polarised wave functions. Computed orbital density maps in momentum and position space for oriented Cl 2 molecules are discussed in comparison with the measured and calculated spherically averaged momentum distributions

  3. Study of iron valence state and position in sub-site by Moessbauer spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Uhm, Young Rang; Lim, Jae Cheong; KIm, Chul Sung [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of); Son, Kwang Jae [Kookmin Univ., Seoul (Korea, Republic of)

    2014-05-15

    The magnetic ordering temperature and the magnitude of the magnetic fields at the iron sites of YIG can be influenced by substituting, either partially or totally, the Fe{sup 3+} ions at the octahedral and/or the tetrahedral sites with magnetic or diamagnetic ions, and/or by substitution the Y{sup 3+} ions at the dodecahedral sites with magnetic rare earth ions. It has been known for some time that Moessbauer spectroscopy is a powerful method by which iron-containing garnets can be studied. We report here on the synthesis of the compounds with garnet-related structures of composition Y{sub 3}Fe{sub 4.5}Cr{sub 0.5}O{sub 12} and its examination by {sup 57}Fe Moessbauer spectroscopy. The chromium in compounds of the Y{sub 3}Fe{sub 4.5}Cr{sub 0.5}O{sub 12} is distributed at an octahedral site. The Moessbauer spectra can be analyzed using 3 or 4 sets of six Lorentzians with increasing amount of Cr{sup 3+} compounds in this system. It results from the distribution ({sub 4}C{sub n}) of Fe{sup 3+} and Cr{sup 3+} at an octahedral site. A comparative study of ferrous tablets of Dynabi was carried out using Moessbauer spectroscopy. The obtained results revealed the presence of ferrous (Fe{sup 2+}) gluconate and ferrous fumarate in a sample. This observation is important to better control the iron state in such medicaments because their pharmaceutical effect in the body is related to the form and valence of iron. The Cr-containing yttrium iron garnet (YIG), and the exchange interactions and site distributions were studied using {sup 57}Fe Moessbauer spectroscopy. The obtained results revealed the presence of ferrous (Fe{sup 2+}) gluconate and ferrous fumarate in the sample. This observation is important better control the iron state in such medicaments because their pharmaceutical effect in the body is related to the form and valence of iron.

  4. Photoelectron-spectroscopic and reactivity investigation of thin Pd-Sn films prepared by magnetron sputtering

    International Nuclear Information System (INIS)

    Skala, T.; Veltruska, K.; Sedlacek, L.; Masek, K.; Matolinova, I.; Matolin, V.

    2007-01-01

    We have studied Pd-Sn layers with different composition prepared by magnetron sputtering. Layers were sputtered onto Al 2 O 3 and SiO 2 substrates and studied by X-ray photoelectron spectroscopy (XPS). Spectra confirmed that after vacuum annealing residual oxygen and carbon have been removed and bimetallic bonds have been created. The shift of Pd 3d 5/2 core level to higher binding energy followed by the peak narrowing in dependence on the composition was observed, accompanied by the shift of the Pd 4d in the valence band region, induced by hybridization of Pd-d and Sn-s,p states. Experiments carried out on a gas-flow reactor indicate increasing temperature of the CO oxidation with tin ratio in the alloy

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

    International Nuclear Information System (INIS)

    Idczak, R.; Idczak, K.; Konieczny, R.

    2014-01-01

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

  6. Size and alloying induced shift in core and valence bands of Pd-Ag and Pd-Cu nanoparticles

    International Nuclear Information System (INIS)

    Sengar, Saurabh K.; Mehta, B. R.; Govind

    2014-01-01

    In this report, X-ray photoelectron spectroscopy studies have been carried out on Pd, Ag, Cu, Pd-Ag, and Pd-Cu nanoparticles having identical sizes corresponding to mobility equivalent diameters of 60, 40, and 20 nm. The nanoparticles were prepared by the gas phase synthesis method. The effect of size on valence and core levels in metal and alloy nanoparticles has been studied by comparing the values to those with the 60 nm nanoparticles. The effect of alloying has been investigated by comparing the valence and core level binding energies of Pd-Cu and Pd-Ag alloy nanoparticles with the corresponding values for Pd, Ag, and Cu nanoparticles of identical sizes. These effects have been explained in terms of size induced lattice contractions, alloying induced charge transfer, and hybridization effects. The observation of alloying and size induced binding energy shifts in bimetallic nanoparticles is important from the point of view of hydrogen reactivity

  7. Photoelectron spectroscopy and density functional theory studies of (FeS)mH- (m = 2-4) cluster anions: effects of the single hydrogen.

    Science.gov (United States)

    Yin, Shi; Bernstein, Elliot R

    2017-12-20

    Single hydrogen containing iron hydrosulfide cluster anions (FeS) m H - (m = 2-4) are studied by photoelectron spectroscopy (PES) at 3.492 eV (355 nm) and 4.661 eV (266 nm) photon energies, and by Density Functional Theory (DFT) calculations. The structural properties, relative energies of different spin states and isomers, and the first calculated vertical detachment energies (VDEs) of different spin states for these (FeS) m H - (m = 2-4) cluster anions are investigated at various reasonable theory levels. Two types of structural isomers are found for these (FeS) m H - (m = 2-4) clusters: (1) the single hydrogen atom bonds to a sulfur site (SH-type); and (2) the single hydrogen atom bonds to an iron site (FeH-type). Experimental and theoretical results suggest such available different SH- and FeH-type structural isomers should be considered when evaluating the properties and behavior of these single hydrogen containing iron sulfide clusters in real chemical and biological systems. Compared to their related, respective pure iron sulfur (FeS) m - clusters, the first VDE trend of the diverse type (FeS) m H 0,1 - (m = 1-4) clusters can be understood through (1) the different electron distribution properties of their highest singly occupied molecular orbital employing natural bond orbital analysis (NBO/HSOMO), and (2) the partial charge distribution on the NBO/HSOMO localized sites of each cluster anion. Generally, the properties of the NBO/HSOMOs play the principal role with regard to the physical and chemical properties of all the anions. The change of cluster VDE from low to high is associated with the change in nature of their NBO/HSOMO from a dipole bound and valence electron mixed character, to a valence p orbital on S, to a valence d orbital on Fe, and to a valence p orbital on Fe or an Fe-Fe delocalized valence bonding orbital. For clusters having the same properties for NBO/HSOMOs, the partial charge distributions at the NBO/HSOMO localized sites additionally

  8. Depth-profiling using X-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Pijolat, M.; Hollinger, G.

    1980-12-01

    The possibilities of X-ray photoelectron spectroscopy (or ESCA) for depth-profiling into shallow depths (approximately 10-100 A) have been studied. The method of ion-sputtering removal has first been investigated in order to improve its depth-resolution (approximately 50-150 A). A procedure which eliminates the effects due to the resolution function of the instrumental probe (analysed depth approximately 50 A) has been settled; but it is not yet sufficient, and the sputter - broadening due to the ion-induced damages must be taken into account (broadening function approximately 50 A for approximately 150 A removal). Because of serious difficulties in estimating the broadening function an alternative is to develop non destructive methods, so a new method based on the dependence of the analysed depth with the electron emission angle is presented. The extraction of the concentration profile from angular distribution experiments is achieved, in the framework of a flat-layer model, by minimizing the difference between theoretical and experimental relative intensities. The applicability and limitations of the method are discussed on the basis of computer simulation results. The depth probed is of the order of 3 lambda (lambda being the value of the inelastic mean free path, typically 10-20 A) and the depth-resolution is of the order of lambda/3 [fr

  9. Early stages of methanol radiolysis from data of photoelectron spectroscopy and mass spectrometry

    International Nuclear Information System (INIS)

    Kalyazin, E.P.; Kovalev, G.V.

    1982-01-01

    Comparison of data on photoelectron spectroscopy and mass spectrometry permits to conclude that 4 types of molecular ions CH 3 O + H, H + CH 2 OH, H 3 C + OH and CH 3 O + H are initial products of methanol radiolysis. They start four parallel lines of methanol transformations. Mass spectrum of methanol can be evaluated according to the structural formula of methanol molecule. Composition of radiolysis products of gaseous methanol correlate satisfactorily with its mass spectrum. Reasons for the difference in compositions of radiolysis products of liquid and gaseous methanol are discussed

  10. X-ray photoelectron spectroscopy study of synchrotron radiation irradiation of a polytetrafluoroethylene surface

    CERN Document Server

    Haruyama, Y; Matsui, S; Ideta, T; Ishigaki, H

    2003-01-01

    The effect of synchrotron radiation (SR) irradiation of a polytetrafluoroethylene (PTFE) surface was investigated using X-ray photoelectron spectroscopy (XPS). After the SR irradiation, the relative intensity of the F ls peak to the C ls peak decreased markedly. The chemical composition ratio to the F atoms to C atoms was estimated to be 0.29. From the curve fitting analysis of C ls and F ls XPS spectra, the chemical components and their intensity ratio were determined. The reason for the chemical composition change by the SR irradiation was discussed. (author)

  11. X-ray photoelectron spectroscopy of HUPA organic substances: natural and synthetic humic compounds

    International Nuclear Information System (INIS)

    Barre, N.; Mercier-Bion, F.; Reiller, P.

    2004-01-01

    X-ray photoelectron spectroscopy (XPS) results on the characterisation of the HUPA organic materials, i.e. natural humic substances ''GOHY 573'' (fulvic acid FA and humic acid HA) extracted from the Gorleben ground waters, and synthetic humic acids ''M1'' and ''M42'' obtained from a standard melanoidin preparation from FZ Rossendorf, are presented in this paper. XPS investigations were focused on the determination of the chemical environment of the major elements as carbon, nitrogen, oxygen and sulphur, and on the identification of trace metals trapped by these organic compounds. (orig.)

  12. A high pressure x-ray photoelectron spectroscopy experimental method for characterization of solid-liquid interfaces demonstrated with a Li-ion battery system

    Energy Technology Data Exchange (ETDEWEB)

    Maibach, Julia; Xu, Chao; Gustafsson, Torbjörn; Edström, Kristina [Department of Chemistry–Ångström Laboratory, Uppsala University, Box 538, SE-751 21 Uppsala (Sweden); Eriksson, Susanna K. [Department of Chemistry–Ångström Laboratory, Uppsala University, Box 523, SE-751 20 Uppsala (Sweden); Åhlund, John [VG Scienta AB, Box 15120, SE-750 15 Uppsala (Sweden); Siegbahn, Hans; Rensmo, Håkan; Hahlin, Maria, E-mail: maria.hahlin@physics.uu.se [Department of Physics and Astronomy, Uppsala University, Box 516, SE-751 20 Uppsala (Sweden)

    2015-04-15

    We report a methodology for a direct investigation of the solid/liquid interface using high pressure x-ray photoelectron spectroscopy (HPXPS). The technique was demonstrated with an electrochemical system represented by a Li-ion battery using a silicon electrode and a liquid electrolyte of LiClO{sub 4} in propylene carbonate (PC) cycled versus metallic lithium. For the first time the presence of a liquid electrolyte was realized using a transfer procedure where the sample was introduced into a 2 mbar N{sub 2} environment in the analysis chamber without an intermediate ultrahigh vacuum (UHV) step in the load lock. The procedure was characterized in detail concerning lateral drop gradients as well as stability of measurement conditions over time. The X-ray photoelectron spectroscopy (XPS) measurements demonstrate that the solid substrate and the liquid electrolyte can be observed simultaneously. The results show that the solid electrolyte interphase (SEI) composition for the wet electrode is stable within the probing time and generally agrees well with traditional UHV studies. Since the methodology can easily be adjusted to various high pressure photoelectron spectroscopy systems, extending the approach towards operando solid/liquid interface studies using liquid electrolytes seems now feasible.

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

    International Nuclear Information System (INIS)

    Garcia-Macias, Gustavo Adolfo

    2002-01-01

    The first ionisation potential of the CF 3 radical has been determined in this work from the appearance potential of the CF 3 + fragment, formed in the photofragmentation of CF 3 Br. In obtaining this value special care has been taken in removing the contributions from second order light and internal energy of the fragmenting parent ion. The resulting ionisation potential was found to be in very good agreement with a number of recent theoretical calculations. The valence photoelectron spectra of three monoterpenes such as limonene, carvone and camphor have been recorded along with their mass spectra taken in coincidence with energy selected photoelectrons, providing information about state selected parent ion fragmentation channels. A new photoelectron spectrometer based on the Alien box design has been studied by ray-tracing simulations. It will include a two dimensional position sensitive detector system consisting in two micro channel plates in a chevron stack and a delay-line anode to encode the impact position. It is currently under construction and it is expected to be commissioned by summer 2002. Continuum molecular scattering calculations have been performed in the optically active carvone. We have looked for circular dichroism in the angular distributions of core and valence photoelectron spectra. The values have been found to be of at least four orders of magnitude bigger than the normal circular dichroism in absorption. Experimental results have been obtained for the circular dichroism in the valence and inner shells of camphor and carvone as a function of photon energy. The experiments were performed in the BESSY II and SACO storage rings in Berlin and Orsay respectively. The core results on camphor show a definite difference between the partial cross-sections of the carbonyl carbon Is orbital when switching the helicity of either the light or the enantiomer. The core results on carvone have yet to be properly analysed and are noisier but the circular

  14. Ionization energies of aqueous nucleic acids: Photoelectron spectroscopy of pyridine nucleosides and ab initio calculations

    Czech Academy of Sciences Publication Activity Database

    Slavíček, Petr; Winter, B.; Faubel, M.; Bradforth, S. E.; Jungwirth, Pavel

    2009-01-01

    Roč. 131, č. 18 (2009), s. 6460-6467 ISSN 0002-7863 R&D Projects: GA MŠk LC512; GA ČR GA203/08/0114 Grant - others:GA ČR(CZ) GP203/07/P449 Institutional research plan: CEZ:AV0Z40550506; CEZ:AV0Z40400503 Keywords : DNA bases * photoelectron spectroscopy * ab initio calculations Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 8.580, year: 2009

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

    Energy Technology Data Exchange (ETDEWEB)

    Kozina, Xeniya

    2012-03-26

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

  16. Coincident photoelectron spectroscopy on superconductors

    International Nuclear Information System (INIS)

    Voss, Stefan

    2011-01-01

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

  17. Lab-based ambient pressure X-ray photoelectron spectroscopy from past to present

    Science.gov (United States)

    Arble, Chris; Jia, Meng; Newberg, John T.

    2018-05-01

    Chemical interactions which occur at a heterogeneous interface between a gas and substrate are critical in many technological and natural processes. Ambient pressure X-ray photoelectron spectroscopy (AP-XPS) is a powerful spectroscopy tool that is inherently surface sensitive, elemental and chemical specific, with the ability to probe sample surfaces in the presence of a gas phase. In this review, we discuss the evolution of lab-based AP-XPS instruments, from the first development by Siegbahn and coworkers up through modern day systems. A comprehensive overview is given of heterogeneous experiments investigated to date via lab-based AP-XPS along with the different instrumental metrics that affect the quality of sample probing. We conclude with a discussion of future directions for lab-based AP-XPS, highlighting the efficacy for this in-demand instrument to continue to expand in its ability to significantly advance our understanding of surface chemical processes under in situ conditions in a technologically multidisciplinary setting.

  18. Electronic properties of semiconducting naphthalene bisimide derivatives—Ultraviolet photoelectron spectroscopy versus electrochemistry

    International Nuclear Information System (INIS)

    Rybakiewicz, Renata; Gawrys, Pawel; Tsikritzis, Dimitris; Emmanouil, Konstantinos; Kennou, Stella; Zagorska, Malgorzata; Pron, Adam

    2013-01-01

    Highlights: ► Electrochemical method for the determination of the ionization potential (IP) in organic semiconductors was validated. ► Excellent correlation was found between the IP values determined electrochemically and by UPS for naphthalene bisimides. ► Excellent correlation was found between the calculated (DFT) IP values and the experimentally determined ones. -- Abstract: Key parameters for organic semiconductors used as active layers in organic electronic devices are: solution processability, charge carriers mobility as well as the electron affinity (EA) and the ionization potential (IP) which determine their redox properties and by consequence their air stability. The purpose of the present work was to investigate the influence of different substituents at imide nitrogen atom (alkylaryl, thienylene and triarylamine) and at naphthalene core (triarylamine) on the IP and EA values in recently synthesized naphthalene bisimide derivatives, tested as promising semiconductors for flexible n-channel or ambipolar organic field effect transistors (OFETs). The ionization potentials were determined by Ultra-violet Photoelectron Spectroscopy (UPS) for thin semiconductor films evaporated in ultra-high vacuum. The values obtained by photoelectron spectroscopy were compared with the ones determined from electrochemical investigations of the semiconductors dissolved in an electrolyte solution. Using cyclic voltammetry the IPs was estimated from the onset of the first oxidation peak whereas EAs from the onset of the first reduction peak. In cases where it was not possible to record the oxidation wave in the electrolyte electrochemical window, the IPs values were calculated by subtracting the energy of the spectroscopically (UV–vis–NIR) determined band gap from the EA values and changing the sign. A good correlation between the spectroscopic (UPS) and electrochemical data was found

  19. Self-compensation in ZnO thin films: An insight from X-ray photoelectron spectroscopy, Raman spectroscopy and time-of-flight secondary ion mass spectroscopy analyses

    International Nuclear Information System (INIS)

    Saw, K.G.; Ibrahim, K.; Lim, Y.T.; Chai, M.K.

    2007-01-01

    As-grown ZnO typically exhibits n-type conductivity and the difficulty of synthesizing p-type ZnO for the realization of ZnO-based optoelectronic devices is mainly due to the compensation effect of a large background n-type carrier concentration. The cause of this self-compensation effect has not been conclusively identified although oxygen vacancies, zinc interstitials and hydrogen have been suggested. In this work, typical n-type ZnO thin films were prepared by sputtering and investigated using X-ray photoelectron spectroscopy, Raman spectroscopy and time-of-flight secondary ion mass spectroscopy to gain an insight on the possible cause of the self-compensation effect. The analyses found that the native defect that most likely behaved as the donor was zinc interstitial but some contribution of n-type conductivity could also come from the electronegative carbonates or hydrogen carbonates incorporated in the ZnO thin films

  20. Dual analyzer system for surface analysis dedicated for angle-resolved photoelectron spectroscopy at liquid surfaces and interfaces

    Energy Technology Data Exchange (ETDEWEB)

    Niedermaier, Inga; Kolbeck, Claudia; Steinrück, Hans-Peter; Maier, Florian, E-mail: florian.maier@fau.de [Lehrstuhl für Physikalische Chemie II, FAU Universität Erlangen-Nürnberg, Egerlandstraße 3, 91058 Erlangen (Germany)

    2016-04-15

    The investigation of liquid surfaces and interfaces with the powerful toolbox of ultra-high vacuum (UHV)-based surface science techniques generally has to overcome the issue of liquid evaporation within the vacuum system. In the last decade, however, new classes of liquids with negligible vapor pressure at room temperature—in particular, ionic liquids (ILs)—have emerged for surface science studies. It has been demonstrated that particularly angle-resolved X-ray Photoelectron Spectroscopy (ARXPS) allows for investigating phenomena that occur at gas-liquid and liquid-solid interfaces on the molecular level. The results are not only relevant for IL systems but also for liquids in general. In all of these previous ARXPS studies, the sample holder had to be tilted in order to change the polar detection angle of emitted photoelectrons, which restricted the liquid systems to very thin viscous IL films coating a flat solid support. We now report on the concept and realization of a new and unique laboratory “Dual Analyzer System for Surface Analysis (DASSA)” which enables fast ARXPS, UV photoelectron spectroscopy, imaging XPS, and low-energy ion scattering at the horizontal surface plane of macroscopically thick non-volatile liquid samples. It comprises a UHV chamber equipped with two electron analyzers mounted for simultaneous measurements in 0° and 80° emission relative to the surface normal. The performance of DASSA on a first macroscopic liquid system will be demonstrated.

  1. Dual analyzer system for surface analysis dedicated for angle-resolved photoelectron spectroscopy at liquid surfaces and interfaces

    International Nuclear Information System (INIS)

    Niedermaier, Inga; Kolbeck, Claudia; Steinrück, Hans-Peter; Maier, Florian

    2016-01-01

    The investigation of liquid surfaces and interfaces with the powerful toolbox of ultra-high vacuum (UHV)-based surface science techniques generally has to overcome the issue of liquid evaporation within the vacuum system. In the last decade, however, new classes of liquids with negligible vapor pressure at room temperature—in particular, ionic liquids (ILs)—have emerged for surface science studies. It has been demonstrated that particularly angle-resolved X-ray Photoelectron Spectroscopy (ARXPS) allows for investigating phenomena that occur at gas-liquid and liquid-solid interfaces on the molecular level. The results are not only relevant for IL systems but also for liquids in general. In all of these previous ARXPS studies, the sample holder had to be tilted in order to change the polar detection angle of emitted photoelectrons, which restricted the liquid systems to very thin viscous IL films coating a flat solid support. We now report on the concept and realization of a new and unique laboratory “Dual Analyzer System for Surface Analysis (DASSA)” which enables fast ARXPS, UV photoelectron spectroscopy, imaging XPS, and low-energy ion scattering at the horizontal surface plane of macroscopically thick non-volatile liquid samples. It comprises a UHV chamber equipped with two electron analyzers mounted for simultaneous measurements in 0° and 80° emission relative to the surface normal. The performance of DASSA on a first macroscopic liquid system will be demonstrated.

  2. Effects of surface condition on the work function and valence-band position of ZnSnN2

    Science.gov (United States)

    Shing, Amanda M.; Tolstova, Yulia; Lewis, Nathan S.; Atwater, Harry A.

    2017-12-01

    ZnSnN2 is an emerging wide band gap earth-abundant semiconductor with potential applications in photonic devices such as solar cells, LEDs, and optical sensors. We report the characterization by ultraviolet photoelectron spectroscopy and X-ray photoelectron spectroscopy of reactively radio-frequency sputtered II-IV-nitride ZnSnN2 thin films. For samples transferred in high vacuum, the ZnSnN2 surface work function was 4.0 ± 0.1 eV below the vacuum level, with a valence-band onset of 1.2 ± 0.1 eV below the Fermi level. The resulting band diagram indicates that the degenerate bulk Fermi level position in ZnSnN2 shifts to mid-gap at the surface due to band bending that results from equilibration with delocalized surface states within the gap. Brief (< 10 s) exposures to air, a nitrogen-plasma treatment, or argon-ion sputtering caused significant chemical changes at the surface, both in surface composition and interfacial energetics. The relative band positioning of the n-type semiconductor against standard redox potentials indicated that ZnSnN2 has an appropriate energy band alignment for use as a photoanode to effect the oxygen-evolution reaction.

  3. Oxidation Half-Reaction of Aqueous Nucleosides and Nucleotides via Photoelectron Spectroscopy Augmented by ab Initio Calculations

    Czech Academy of Sciences Publication Activity Database

    Schroeder, C. A.; Pluhařová, Eva; Seidel, R.; Schroeder, W. P.; Faubel, M.; Slavíček, P.; Winter, B.; Jungwirth, Pavel; Bradforth, S. E.

    2015-01-01

    Roč. 137, č. 1 (2015), s. 201-209 ISSN 0002-7863 R&D Projects: GA ČR GBP208/12/G016 Grant - others:GA ČR(CZ) GA13-34168S Institutional support: RVO:61388963 Keywords : DNA damage * photoelectron spectroscopy * DNA charge migration Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 13.038, year: 2015 http://pubs.acs.org/doi/10.1021/ja508149e

  4. A new endstation at the Swiss Light Source for ultraviolet photoelectron spectroscopy, X-ray photoelectron spectroscopy, and X-ray absorption spectroscopy measurements of liquid solutions

    International Nuclear Information System (INIS)

    Brown, Matthew A.; Redondo, Amaia Beloqui; Duyckaerts, Nicolas; Mächler, Jean-Pierre; Jordan, Inga; Wörner, Hans Jakob; Lee, Ming-Tao; Ammann, Markus; Nolting, Frithjof; Kleibert, Armin; Huthwelker, Thomas; Birrer, Mario; Honegger, Juri; Wetter, Reto; Bokhoven, Jeroen A. van

    2013-01-01

    A new liquid microjet endstation designed for ultraviolet (UPS) and X-ray (XPS) photoelectron, and partial electron yield X-ray absorption (XAS) spectroscopies at the Swiss Light Source is presented. The new endstation, which is based on a Scienta HiPP-2 R4000 electron spectrometer, is the first liquid microjet endstation capable of operating in vacuum and in ambient pressures up to the equilibrium vapor pressure of liquid water at room temperature. In addition, the Scienta HiPP-2 R4000 energy analyzer of this new endstation allows for XPS measurements up to 7000 eV electron kinetic energy that will enable electronic structure measurements of bulk solutions and buried interfaces from liquid microjet samples. The endstation is designed to operate at the soft X-ray SIM beamline and at the tender X-ray Phoenix beamline. The endstation can also be operated using a Scienta 5 K ultraviolet helium lamp for dedicated UPS measurements at the vapor-liquid interface using either He I or He II α lines. The design concept, first results from UPS, soft X-ray XPS, and partial electron yield XAS measurements, and an outlook to the potential of this endstation are presented

  5. A new endstation at the Swiss Light Source for ultraviolet photoelectron spectroscopy, X-ray photoelectron spectroscopy, and X-ray absorption spectroscopy measurements of liquid solutions.

    Science.gov (United States)

    Brown, Matthew A; Redondo, Amaia Beloqui; Jordan, Inga; Duyckaerts, Nicolas; Lee, Ming-Tao; Ammann, Markus; Nolting, Frithjof; Kleibert, Armin; Huthwelker, Thomas; Müächler, Jean-Pierre; Birrer, Mario; Honegger, Juri; Wetter, Reto; Wörner, Hans Jakob; van Bokhoven, Jeroen A

    2013-07-01

    A new liquid microjet endstation designed for ultraviolet (UPS) and X-ray (XPS) photoelectron, and partial electron yield X-ray absorption (XAS) spectroscopies at the Swiss Light Source is presented. The new endstation, which is based on a Scienta HiPP-2 R4000 electron spectrometer, is the first liquid microjet endstation capable of operating in vacuum and in ambient pressures up to the equilibrium vapor pressure of liquid water at room temperature. In addition, the Scienta HiPP-2 R4000 energy analyzer of this new endstation allows for XPS measurements up to 7000 eV electron kinetic energy that will enable electronic structure measurements of bulk solutions and buried interfaces from liquid microjet samples. The endstation is designed to operate at the soft X-ray SIM beamline and at the tender X-ray Phoenix beamline. The endstation can also be operated using a Scienta 5 K ultraviolet helium lamp for dedicated UPS measurements at the vapor-liquid interface using either He I or He II α lines. The design concept, first results from UPS, soft X-ray XPS, and partial electron yield XAS measurements, and an outlook to the potential of this endstation are presented.

  6. A new endstation at the Swiss Light Source for ultraviolet photoelectron spectroscopy, X-ray photoelectron spectroscopy, and X-ray absorption spectroscopy measurements of liquid solutions

    Energy Technology Data Exchange (ETDEWEB)

    Brown, Matthew A.; Redondo, Amaia Beloqui; Duyckaerts, Nicolas; Mächler, Jean-Pierre [Institute for Chemical and Bioengineering, ETH Zürich, CH-8093 Zürich (Switzerland); Jordan, Inga; Wörner, Hans Jakob [Laboratory of Physical Chemistry, ETH Zürich, CH-8093 Zürich (Switzerland); Lee, Ming-Tao; Ammann, Markus; Nolting, Frithjof; Kleibert, Armin; Huthwelker, Thomas; Birrer, Mario; Honegger, Juri; Wetter, Reto [Paul Scherrer Institute, CH-5232 Villigen PSI (Switzerland); Bokhoven, Jeroen A. van [Institute for Chemical and Bioengineering, ETH Zürich, CH-8093 Zürich (Switzerland); Paul Scherrer Institute, CH-5232 Villigen PSI (Switzerland)

    2013-07-15

    A new liquid microjet endstation designed for ultraviolet (UPS) and X-ray (XPS) photoelectron, and partial electron yield X-ray absorption (XAS) spectroscopies at the Swiss Light Source is presented. The new endstation, which is based on a Scienta HiPP-2 R4000 electron spectrometer, is the first liquid microjet endstation capable of operating in vacuum and in ambient pressures up to the equilibrium vapor pressure of liquid water at room temperature. In addition, the Scienta HiPP-2 R4000 energy analyzer of this new endstation allows for XPS measurements up to 7000 eV electron kinetic energy that will enable electronic structure measurements of bulk solutions and buried interfaces from liquid microjet samples. The endstation is designed to operate at the soft X-ray SIM beamline and at the tender X-ray Phoenix beamline. The endstation can also be operated using a Scienta 5 K ultraviolet helium lamp for dedicated UPS measurements at the vapor-liquid interface using either He I or He II α lines. The design concept, first results from UPS, soft X-ray XPS, and partial electron yield XAS measurements, and an outlook to the potential of this endstation are presented.

  7. Summary: Update to ASTM guide E 1523 to charge control and charge referencing techniques in x-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Baer, D.R.

    2005-01-01

    An updated version of the American Society for Testing and Materials (ASTM) guide E 1523 to the methods to charge control and charge referencing techniques in x-ray photoelectron spectroscopy has been released by ASTM [Annual Book of ASTM Standards Surface Analysis (American Society for Testing and Materials, West Conshohocken, PA, 2004), Vol. 03.06]. The guide is meant to acquaint x-ray photoelectron spectroscopy (XPS) users with the various charge control and charge referencing techniques that are and have been used in the acquisition and interpretation of XPS data from surfaces of insulating specimens. The current guide has been expanded to include new references as well as recommendations for reporting information on charge control and charge referencing. The previous version of the document had been published in 1997 [D. R. Baer and K. D. Bomben, J. Vac. Sci. Technol. A 16, 754 (1998)

  8. Study of non stoichiometric pure and Zr-Doped yttria surfaces by X-Ray photoelectron spectroscopy and scanning electron microscopy

    International Nuclear Information System (INIS)

    Gautier, M.; Duraud, J.P.; Jollet, F.; Thromat, N.; Maire, P.; Le Gressus, C.

    1988-01-01

    Surfaces of oxygen-deficient yttrium oxide, pure or Zr-doped, have been studied by means of X-ray photoelectron spectroscopy and scanning electron microscopy. The bulk local geometric structure of these non-stoichiometric compounds was previously determined around the Y atom by an EXAFS (Extended X-ray absorption fine structure) study. The local electronic structure around both Y and O, at the surface, was investigated by X-ray photoelectron spectroscopy. The partial transfer of the electronic distribution between the anion and the cation was probed using the Auger parameter. Coupling of these experiments with microscopic observations show that: - In the pure oxygen-deficient sample, the concentration of oxygen vacancies appears to be increased at the grain boundaries. - The Auger parameter shows upon reduction an evolution of the Y-O bond towards a more covalent one, this evolution being modulated with the presence of Zr0 2

  9. X-ray photoelectron spectroscopy of graphitic carbon nanomaterials doped with heteroatoms

    Directory of Open Access Journals (Sweden)

    Toma Susi

    2015-01-01

    Full Text Available X-ray photoelectron spectroscopy (XPS is one of the best tools for studying the chemical modification of surfaces, and in particular the distribution and bonding of heteroatom dopants in carbon nanomaterials such as graphene and carbon nanotubes. Although these materials have superb intrinsic properties, these often need to be modified in a controlled way for specific applications. Towards this aim, the most studied dopants are neighbors to carbon in the periodic table, nitrogen and boron, with phosphorus starting to emerge as an interesting new alternative. Hundreds of studies have used XPS for analyzing the concentration and bonding of dopants in various materials. Although the majority of works has concentrated on nitrogen, important work is still ongoing to identify its precise atomic bonding configurations. In general, care should be taken in the preparation of a suitable sample, consideration of the intrinsic photoemission response of the material in question, and the appropriate spectral analysis. If this is not the case, incorrect conclusions can easily be drawn, especially in the assignment of measured binding energies into specific atomic configurations. Starting from the characteristics of pristine materials, this review provides a practical guide for interpreting X-ray photoelectron spectra of doped graphitic carbon nanomaterials, and a reference for their binding energies that are vital for compositional analysis via XPS.

  10. X-ray Photoelectron Spectroscopy study of CaV1-xMoxO3-δ

    Science.gov (United States)

    Belyakov, S. A.; Kuznetsov, M. V.; Shkerin, S. N.

    2018-06-01

    An investigation was carried out on perovskite-based derivatives of CaV1-xMoxO3-δ using X-ray Photoelectron Spectroscopy (XPS). According to the XRD pattern, the area of homogeneity covers the region from x = 0 to x = 0.6. Wide XPS-peaks of Ca, V, Mo and O are observed, signalling that elements are presented in multiple states. A model for explaining the large chemical shifts of XPS peaks due to different charging effects on different parts of the sample surface is proposed.

  11. Use of X-ray photoelectron spectroscopy to study radiation and thermal effects in polytetrafluoroethylene

    International Nuclear Information System (INIS)

    Wheeler, D.R.; Pepper, S.V.

    1990-01-01

    X-ray photoelectron spectroscopy of the surface and mass spectroscopy of the gas evolved during irradiation and subsequent heating of irradiated polytetrafluoroethylene (PTFE) indicated that the effect of electron irradiation was the same as that of x-irradiation. Saturated fluorocarbon gas was evolved during irradiation and a cross-linked or branched network formed in the surface region. Heating irradiated PTFE to temperatures below 200C resulted in the evolution of additional saturated fluorocarbon gas but no change in the surface. From 200C to 300C, lightly damaged PTFE did not change further, but severely damaged PTFE emitted unsaturated fluorocarbons while the surface underwent apparent partial recovery. These observations demonstrate the thermal instability of the irradiated PTFE surface and allow elaboration of the existing model of radiation damage in PTFE

  12. Laser induced changes of As.sub.50./sub.Se.sub.50./sub. nanolayers studied by synchrotron radiation photoelectron spectroscopy

    Czech Academy of Sciences Publication Activity Database

    Kondrat, O.; Popovich, N.; Holomb, R.; Mitsa, V.; Lyamayev, V.; Tsud, N.; Cháb, Vladimír; Matolín, V.; Prince, K. C.

    2012-01-01

    Roč. 520, č. 24 (2012), s. 7224-7229 ISSN 0040-6090 R&D Projects: GA MŠk(CZ) LC06058 Institutional support: RVO:68378271 Keywords : chalcogenide glass * photostructural changes * photoelectron spectroscopy Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.604, year: 2012

  13. The origin of narrowing of the Si 2p coincidence photoelectron spectroscopy main line of Si(1 0 0) surface

    International Nuclear Information System (INIS)

    Ohno, Masahide

    2011-01-01

    Highlights: → The Si 2p coincidence photoelectron spectroscopy (PES) main line of Si(1 0 0) is calculated. → The PES main line shows an asymmetric line shape change compared to the singles one. → The narrowing of the coincidence Si 2p PES main line is well reproduced. → The inherent mechanism of APECS is explained by a many-body theory. - Abstract: The Si 2p photoelectron spectroscopy (PES) main line of Si(1 0 0) surface measured in coincidence with the singles (noncoincidence) Si L 2,3 -VV Auger-electron spectroscopy (AES) elastic peak is calculated. The agreement with the experiment is good. The present work is the first many-body calculation of the experimental coincidence PES spectrum of solid surface. The narrowing of the coincidence Si 2p PES main line compared to the singles one is due to the mechanism inherent in the coincidence PES. The inherent mechanism is explained by a many-body theory by which photoemission and Auger-electron emission are treated on the same footing.

  14. Study of radicals, clusters and transition state species by anion photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Arnold, Don Wesley [Univ. of California, Berkeley, CA (United States)

    1994-08-01

    Free radicals, elemental and van der Waals clusters and transition state species for bimolecular chemical reactions are investigated using anion photoelectron spectroscopy. Several low-lying electronic states of ozone have been identified via photoelectron spectroscopy of O3-. A characterization of these states is important to models for atmospheric ozone reaction kinetics. The fluoroformyloxyl radical, FCO2, has been investigated, providing vibrational frequencies and energies for two electronic states. The technique has also been employed to make the first direct observation and characterization of the NNO2 molecule. Several electronic states are observed for this species which is believed to play a role as a reactive intermediate in the N + NO2 reaction. The experimental results for all three of these radicals are supplemented by ab initio investigations of their molecular properties. The clusters investigations include studies of elemental carbon clusters (C2- - C11-), and van der Waals clusters (X-(CO2)n, X = I, Br, Cl; n {le} 13 and I- (N2O)n=1--11). Primarily linear clusters are observed for the smaller carbon clusters, while the spectra of the larger clusters contain contribution from cyclic anion photodetachment. Very interesting ion-solvent interactions are observed in the X-(CO2)n clusters. The transition state regions for several bimolecular chemical reactions have also been investigated by photodetachment of a negative ion precursor possessing a geometry similar to that of the transition state species. These spectra show features which are assigned to motions of the unstable neutral complex existing between reactants and products.

  15. Probing long-range structural order in SnPc/Ag(111) by umklapp process assisted low-energy angle-resolved photoelectron spectroscopy

    Science.gov (United States)

    Jauernik, Stephan; Hein, Petra; Gurgel, Max; Falke, Julian; Bauer, Michael

    2018-03-01

    Laser-based angle-resolved photoelectron spectroscopy is performed on tin-phthalocyanine (SnPc) adsorbed on silver Ag(111). Upon adsorption of SnPc, strongly dispersing bands are observed which are identified as secondary Mahan cones formed by surface umklapp processes acting on photoelectrons from the silver substrate as they transit through the ordered adsorbate layer. We show that the photoemission data carry quantitative structural information on the adsorbate layer similar to what can be obtained from a conventional low-energy electron diffraction (LEED) study. More specifically, we compare photoemission data and LEED data probing an incommensurate-to-commensurate structural phase transition of the adsorbate layer. Based on our results we propose that Mahan-cone spectroscopy operated in a pump-probe configuration can be used in the future to probe structural dynamics at surfaces with a temporal resolution in the sub-100-fs regime.

  16. Photoelectron spectroscopy of phosphites and phosphates

    Energy Technology Data Exchange (ETDEWEB)

    Chattopadhyay, S.; Findley, G.L.; McGlynn, S.P.

    1981-01-01

    The ultraviolet photoelectron spectra (UPS) of trimethyl and triethyl phosphite, trimethyl and triethyl phosphate and four substituted phosphates are presented. Assignments are based on analogies to the UPS of phosphorus trichloride and phosphoryl trichloride and are substantiated by CNDO/2 computations. The mechanisms of P-O (axial) bond formation is discussed.

  17. Valence photoelectron spectra of alkali bromides calculated within the propagator theory

    DEFF Research Database (Denmark)

    Karpenko, Alexander; Iablonskyi, Denys; Aksela, Helena

    2013-01-01

    The valence ionization spectra covering the binding energy range 0-45 eV of alkali bromide XBr (X = Li, Na, K, Rb) vapors are studied within the framework of the propagator theory. Relativistic Algebraic Diagrammatic Construction calculations have been carried out in order to investigate photoion...... photoionization processes and to describe molecular electronic structure. Theoretical results are compared with available experimental data....

  18. Electron spectroscopy

    International Nuclear Information System (INIS)

    Hegde, M.S.

    1979-01-01

    An introduction to the various techniques in electron spectroscopy is presented. These techniques include: (1) UV Photoelectron spectroscopy, (2) X-ray Photoelectron spectroscopy, (3) Auger electron spectroscopy, (4) Electron energy loss spectroscopy, (5) Penning ionization spectroscopy and (6) Ion neutralization spectroscopy. The radiations used in each technique, the basis of the technique and the special information obtained in structure determination in atoms and molecules by each technique are summarised. (A.K.)

  19. X-ray photoelectron spectroscopy study of excimer laser treated alumina films

    Science.gov (United States)

    Georgiev, D. G.; Kolev, K.; Laude, L. D.; Mednikarov, B.; Starbov, N.

    1998-01-01

    Amorphous alumina layers are deposited on a single crystal Si substrate by a e-gun evaporation technique. These films are then thermally annealed in oxygen to be crystallized and, further, irradiated with an excimer laser beam. At each stage of the film preparation, an x-ray photoelectron spectroscopy analysis is performed at the film surface and in depth, upon ion beam grinding. Results give evidence for the formation of an aluminosilicate upon thermal annealing of the film in oxygen. At the surface itself, this compound is observed to decompose upon excimer laser irradiation at energy densities exceeding 1.75 J/cm2, giving rise to free Si atoms and SiO2, however with complete disappearance of Al atoms. Model photochemical reactions are proposed to explain such transformations.

  20. Pump laser-induced space-charge effects in HHG-driven time- and angle-resolved photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Oloff, L.-P., E-mail: oloff@physik.uni-kiel.de; Hanff, K.; Stange, A.; Rohde, G.; Diekmann, F.; Bauer, M.; Rossnagel, K., E-mail: rossnagel@physik.uni-kiel.de [Institut für Experimentelle und Angewandte Physik, Christian-Albrechts-Universität zu Kiel, D-24098 Kiel (Germany)

    2016-06-14

    With the advent of ultrashort-pulsed extreme ultraviolet sources, such as free-electron lasers or high-harmonic-generation (HHG) sources, a new research field for photoelectron spectroscopy has opened up in terms of femtosecond time-resolved pump-probe experiments. The impact of the high peak brilliance of these novel sources on photoemission spectra, so-called vacuum space-charge effects caused by the Coulomb interaction among the photoemitted probe electrons, has been studied extensively. However, possible distortions of the energy and momentum distributions of the probe photoelectrons caused by the low photon energy pump pulse due to the nonlinear emission of electrons have not been studied in detail yet. Here, we systematically investigate these pump laser-induced space-charge effects in a HHG-based experiment for the test case of highly oriented pyrolytic graphite. Specifically, we determine how the key parameters of the pump pulse—the excitation density, wavelength, spot size, and emitted electron energy distribution—affect the measured time-dependent energy and momentum distributions of the probe photoelectrons. The results are well reproduced by a simple mean-field model, which could open a path for the correction of pump laser-induced space-charge effects and thus toward probing ultrafast electron dynamics in strongly excited materials.

  1. Conformational effects in photoelectron circular dichroism

    Science.gov (United States)

    Turchini, S.

    2017-12-01

    Photoelectron circular dichroism (PECD) is a novel type of spectroscopy, which presents surprising sensitivity to conformational effects in chiral systems. While classical photoelectron spectroscopy mainly responds to conformational effects in terms of energy level shifts, PECD provides a rich and detailed response to tiny changes in electronic and structural properties by means of the intensity dispersion of the circular dichroism as a function of photoelectron kinetic energy. In this work, the basics of PECD will be outlined, emphasizing the role of interference from the l,l+/- 1 outgoing partial wave of the photoelectron in the PECD transition matrix element, which is responsible for the extreme sensitivity to conformational effects. Examples using molecular systems and interfaces will shed light on the powerful application of PECD to classical conformational effects such as group substitution, isomerism, conformer population and clustering. Moreover, the PECD results will be reported in challenging new fields where conformations play a key role, such as vibrational effects, transient chirality and time- resolved experiments. To date, PECD has mostly been based on synchrotron radiation facilities, but it also has a future as a table-top lab experiment by means of multiphoton ionization. An important application of PECD as an analytical tool will be reported. The aim of this review is to illustrate that in PECD, the presence of conformational effects is essential for understanding a wide range of effects from a new perspective, making it different from classical spectroscopy.

  2. Core level photoelectron spectroscopy probed heterogeneous xenon/neon clusters

    International Nuclear Information System (INIS)

    Pokapanich, Wandared; Björneholm, Olle; Öhrwall, Gunnar; Tchaplyguine, Maxim

    2017-01-01

    Binary rare gas clusters; xenon and neon which have a significant contrariety between sizes, produced by a co-expansion set up and have been studied using synchrotron radiation based x-ray photoelectron spectroscopy. Concentration ratios of the heterogeneous clusters; 1%, 3%, 5% and 10% were controlled. The core level spectra were used to determine structure of the mixed cluster and analyzed by considering screening mechanisms. Furthermore, electron binding energy shift calculations demonstrated cluster aggregation models which may occur in such process. The results showed that in the case of low mixing ratios of 3% and 5% of xenon in neon, the geometric structures exhibit xenon in the center and xenon/neon interfaced in the outer shells. However, neon cluster vanished when the concentration of xenon was increased to 10%. - Highlights: • Co-expansion setup is suitable for producing binary Xe/Ne clusters. • Appropriate temperature, pressure, and mixing ratios should be strictly controlled. • Low mixing ratio, Xe formed in the core and Xe/Ne interfacing in the outer shell. • High mixing ratio, only pure Xe clusters were detected.

  3. The development of angle-resolved photoelectron spectroscopy; 1900-1960

    International Nuclear Information System (INIS)

    Jenkin, J.G.; La Trobe Univ., Bundoora

    1981-01-01

    Angle-resolved photoelectron spectroscopy (ARPES) is now a sophisticated and particularly powerful technique for studying the electronic structure of matter, in addition the photoelectric effect has been of great significance in the history of 20th-century physics. This article seeks to uncover the origins and chart the development of the ARPES field, and focusses on the first half of this century; that is, up to the beginnings of the modern phase in the late 1960's. It is suggested that present workers will find interest in, and indeed profit from a knowledge of, the enormous experimental effort that was made to acquire quality data, the frustrating attempts that were initially made to understand them theoretically, and the contribution of early wave-mechanics, which brought order to a troubled field and thereby provided the necessary foundation for current studies. In addition, it is noted that the physicists involved often obtained inspiration and important insights which led them into studies of other significant problems of 20th-century physics. (orig.)

  4. Photoelectron spectroscopy of supersonic molecular beams

    International Nuclear Information System (INIS)

    Pollard, J.E.; Trevor, D.J.; Lee, Y.T.; Shirley, D.A.

    1981-01-01

    A high-resolution photoelectron spectrometer which uses molecular beam sampling is described. Photons from a rare-gas resonance lamp or UV laser are crossed with the beam from a differentially pumped supersonic nozzle source. The resulting photoelectrons are collected by an electrostatic analyzer of a unique design consisting of a 90 0 spherical sector preanalyzer, a system of lenses, and a 180 0 hemispherical deflector. A multichannel detection system based on dual microchannel plates with a resistive anode position encoder provides an increase in counting efficiency by a factor of 12 over the equivalent single channel detector. The apparatus has demonstrated an instrumental resolution of better than 10 meV FWHM, limited largely by the photon source linewidth. A quadrupole mass spectrometer is used to characterize the composition of the molecular beam. Extensive differential pumping is provided to protect the critical surfaces of the analyzer and mass spectrometer from contamination. Because of the near elimination of Doppler and rotational broadenings, the practical resolution is the highest yet obtained in molecular PES

  5. Nonadiabatic Dynamics May Be Probed through Electronic Coherence in Time-Resolved Photoelectron Spectroscopy.

    Science.gov (United States)

    Bennett, Kochise; Kowalewski, Markus; Mukamel, Shaul

    2016-02-09

    We present a hierarchy of Fermi golden rules (FGRs) that incorporate strongly coupled electronic/nuclear dynamics in time-resolved photoelectron spectroscopy (TRPES) signals at different levels of theory. Expansion in the joint electronic and nuclear eigenbasis yields the numerically most challenging exact FGR (eFGR). The quasistatic Fermi Golden Rule (qsFGR) neglects nuclear motion during the photoionization process but takes into account electronic coherences as well as populations initially present in the pumped matter as well as those generated internally by coupling between electronic surfaces. The standard semiclassical Fermi Golden Rule (scFGR) neglects the electronic coherences and the nuclear kinetic energy during the ionizing pulse altogether, yielding the classical Condon approximation. The coherence contributions depend on the phase-profile of the ionizing field, allowing coherent control of TRPES signals. The photoelectron spectrum from model systems is simulated using these three levels of theory. The eFGR and the qsFGR show temporal oscillations originating from the electronic or vibrational coherences generated as the nuclear wave packet traverses a conical intersection. These oscillations, which are missed by the scFGR, directly reveal the time-evolving splitting between electronic states of the neutral molecule in the curve-crossing regime.

  6. Investigation of the chemistry of the dielectric/FeCoTb interface by x-ray photoelectron spectroscopy and Auger electron spectroscopy

    International Nuclear Information System (INIS)

    Stickle, W.F.; Coulman, D.

    1987-01-01

    The interfacial chemistry of magneto-optic structures of sputter deposited SiO, SiO 2 , Si 3 N 4 /FeCoTb/SiO, SiO 2 , and Si 3 N 4 was studied in detail by x-ray photoelectron spectroscopy (XPS) and Auger electron spectroscopy (AES). XPS and AES depth profiles have revealed a substantial amount of redox chemistry at the dielectric/rare-earth transition metal interfaces. The chemical reactions occur preferentially with the terbium as revealed in the XPS portion of the study by the formation of terbium oxide and terbium silicide. In the case of Si 3 N 4 evidence of TbN/sub x/ has also been observed. ''As deposited'' and annealed samples of the magneto-optic structures are compared and contrasted. It is concluded that Si 3 N 4 is a superior dielectric for magneto-optic media

  7. Dual-array valence emission spectrometer (DAVES): A new approach for hard x-ray photon-in photon-out spectroscopies

    Energy Technology Data Exchange (ETDEWEB)

    Finkelstein, K. D., E-mail: kdf1@cornell.edu; Lyndaker, A.; Krawcyk, T.; Conrad, J. [CHESS Wilson Lab, Cornell University, Ithaca, NY 14853 (United States); Pollock, C. J. [Dept. of Chemistry, The Pennsylvania State University, University Park, Pennsylvania 16802 (United States)

    2016-07-27

    CHESS has developed and successfully deployed a novel Dual Array Valence Emission Spectrometer (DAVES) for high energy resolution, hard x-ray spectroscopy. DAVES employs the simplest method for scanning multiple spherical crystals along a Rowland Circle. The new design achieves unique 2-color collection capability and is built to take special advantage of pixel array detectors. Our initial results show why these detectors greatly improve data quality. The presentation emphasizes flexibility of experimental design offered by DAVES. Prospects and benefits of 2-color spectroscopy are illustrated and discussed.

  8. The Buried Carbon/Solid Electrolyte Interphase in Li-ion Batteries Studied by Hard X-ray Photoelectron Spectroscopy

    International Nuclear Information System (INIS)

    Ciosek Högström, Katarzyna; Malmgren, Sara; Hahlin, Maria; Gorgoi, Mihaela; Nyholm, Leif; Rensmo, Håkan; Edström, Kristina

    2014-01-01

    In cycled Li-ion batteries, the carbon negative electrode is buried under a thin passivating layer referred to as the solid electrolyte interphase (SEI). In the present study, the increased depth sensitivity of hard X-ray photoelectron spectroscopy (HAXPES) as compared to conventional X-ray photoelectron spectroscopy (XPS) is used to study electrochemical changes at such a buried carbon/SEI. Samples from graphite/LiFePO 4 cells cycled to specific potentials during the first four charge/discharge cycles were studied. The results show dynamic changes in the SEI during cycling. Reversible, state of charge (SOC) dependent changes in the SEI thickness as well as amounts of lithium oxide, lithium fluoride, lithium and carbon active material were discussed. Moreover, the results indicate lithium enrichment close to the carbon active material surface, which could not be explained by intercalation of lithium into carbon with LiC 6 structure or by SEI formation at the surface. Potential dependent shifts in the binding energy of the carbon active material C1s feature showed the importance of internal energy calibration with an SEI feature rather than carbon active material

  9. Structure determination of a multilayer with an island-like overlayer using hard x-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Isomura, N., E-mail: isomura@mosk.tytlabs.co.jp; Kataoka, K.; Horibuchi, K.; Dohmae, K.; Kitazumi, K.; Takahashi, N.; Kimoto, Y. [Toyota Central R& D Laboratories, Inc., 41-1 Yokomichi, Nagakute, Aichi 480-1192 (Japan); Oji, H.; Cui, Y.-T.; Son, J.-Y. [Japan Synchrotron Radiation Research Institute (JASRI), 1-1-1 Kouto, Sayo, Hyogo 679-5198 (Japan)

    2016-07-27

    We use hard X-ray photoelectron spectroscopy (HAXPES) to obtain the surface structure of a multilayer Au/SiO{sub 2}/Si substrate sample with an island-like overlayer. Photoelectron intensities are measured as a function of incident photon energy (PE) and take-off angle (TOA, measured from the sample surface). The Au layer coverage and Au and SiO{sub 2} layer thicknesses are obtained by the PE dependence, and are used for the following TOA analysis. The Au island lateral width in the cross section is obtained by the TOA dependence, including information about surface roughness, in consideration of the island shadowing at small TOAs. In both cases, curve-fitting analysis is conducted. The surface structure, which consists of layer thicknesses, overlayer coverage and island width, is determined nondestructively by a combination of PE and TOA dependent HAXPES measurements.

  10. Analysis of Ti/Mo film by X-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Mou Fangming; Tu Bing; Yao Bing; Liu Jinhua; Long Xinggui

    2002-01-01

    Chemical elements and their electronic binding energy on surface of Ti film and bulk are analyzed by X-ray photoelectron spectroscopy (XPS) and Ar + etching. The results show that the surface of specimens is contaminated by carbon and oxygen. Mo on surface of Ti film is from substrate. The XPS spectra of Ti 2p of the etched specimens are fitted on. The results show that Ti chemical states on surface of Ti film are TiO 2 with a content of approaching to 100% and a little Ti. Some TiO 2 will be reduced to low chemical states with the increasing of etching time. The chemical states of Mo on surface of Ti film are MoO 3 and Mo. The content of Mo increases as etching time increasing. Chemical state of carbon on the surface of film is graphite and carbide with binding energy of 288.2-288.9 eV

  11. Separation of valence states in thin films with mixed V{sub 2}O{sub 5} and V{sub 7}O{sub 16} phases

    Energy Technology Data Exchange (ETDEWEB)

    Huotari, J., E-mail: jonihuot@ee.oulu.fi [Faculty of Information Technology and Electrical Engineering, University of Oulu, P.O. Box 4500, FI-90014 Oulu (Finland); Cao, W. [Research Centre for Molecular Materials, University of Oulu, P.O. Box 3000, FI-90014 Oulu (Finland); Niu, Y. [MAX-lab, Lund University, SE-221 00 Lund (Sweden); Lappalainen, J.; Puustinen, J. [Faculty of Information Technology and Electrical Engineering, University of Oulu, P.O. Box 4500, FI-90014 Oulu (Finland); Pankratov, V. [Research Centre for Molecular Materials, University of Oulu, P.O. Box 3000, FI-90014 Oulu (Finland); Lloyd Spetz, A. [Faculty of Information Technology and Electrical Engineering, University of Oulu, P.O. Box 4500, FI-90014 Oulu (Finland); Department of Physics, Chemistry and Biology, Linköping University, SE-581 83 Linköping (Sweden); Huttula, M. [Research Centre for Molecular Materials, University of Oulu, P.O. Box 3000, FI-90014 Oulu (Finland)

    2016-08-15

    Highlights: • Films have different XPS and NEXAFS spectra depending on the crystal structure. • Difference in oxygen vacancy concentration between the different films is identified. • Connection between high gas sensitivity and surface state of the films is revealed. - Abstract: Among the other applications, vanadium oxide thin films are considered to be excellent candidates for gas sensing. To understand the origins of the sensing capability, we carried out X-ray photoelectron and X-ray absorption spectroscopy measurements to determinate the surface valence states of thin films with mixed V{sub 7}O{sub 16} and V{sub 2}O{sub 5} compounds. Thin films were fabricated by pulsed laser deposition, and the crystal structure and symmetry of the deposited films was studied using grazing incidence X-ray diffraction and Raman spectroscopy. These results together with X-ray photoelectron and absorption spectra showed that the thin-film crystal structures varied between orthorhombic V{sub 2}O{sub 5} phase and another phase of triclinic V{sub 7}O{sub 16}. X-ray photoelectron spectroscopy was used to quantitatively confirm the high amount of V{sup 4+} ions on surfaces of the films, especially of films with V{sub 7}O{sub 16} phase present. This result was confirmed in the quantitative analysis of the V2p near-edge X-ray absorption spectra. Through the observed electronic structures, it was found that in addition to unique crystal structure and morphology, the enhanced gas sensitivity of these layers is attributed to the increase in the amount of surface oxygen vacancies.

  12. Dynamics of valence-shell electrons and nuclei probed by strong-field holography and rescattering

    Science.gov (United States)

    Walt, Samuel G.; Bhargava Ram, Niraghatam; Atala, Marcos; Shvetsov-Shilovski, Nikolay I; von Conta, Aaron; Baykusheva, Denitsa; Lein, Manfred; Wörner, Hans Jakob

    2017-01-01

    Strong-field photoelectron holography and laser-induced electron diffraction (LIED) are two powerful emerging methods for probing the ultrafast dynamics of molecules. However, both of them have remained restricted to static systems and to nuclear dynamics induced by strong-field ionization. Here we extend these promising methods to image purely electronic valence-shell dynamics in molecules using photoelectron holography. In the same experiment, we use LIED and photoelectron holography simultaneously, to observe coupled electronic-rotational dynamics taking place on similar timescales. These results offer perspectives for imaging ultrafast dynamics of molecules on femtosecond to attosecond timescales. PMID:28643771

  13. Electronic structure of pentacene on hafnium studied by ultraviolet photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Kang, Seong Jun; Yi, Yeon Jin; Kim, Chung Yi; Whang, Chung Nam

    2005-01-01

    The electronic structure of pentacene on hafnium, which is a low work function metal, was analyzed by using ultraviolet photoelectron spectroscopy. The energy level alignment was studied by using the onset of the highest occupied molecular orbital level and the shift of the vacuum level of the pentacene layer, which was deposited on a clean hafnium surface in a stepwise manner. The measured onset of the highest occupied molecular orbital energy level was 1.52 eV from the Fermi level of hafnium. The vacuum level was shifted 0.28 eV toward higher binding energy with additional pentacene layers, which means an interfacial dipole exists at the interface between pentacene and hafnium. We confirm that a small electron injection barrier can be achieved by inserting a low work function metal in a pentacene thin-film transistor.

  14. Electronic structure and thermal decomposition of 5-aminotetrazole studied by UV photoelectron spectroscopy and theoretical calculations

    Energy Technology Data Exchange (ETDEWEB)

    Pinto, Rui M., E-mail: ruipinto@fct.unl.pt [CFA, Centro de Fisica Atomica, Departamento de Fisica, Faculdade de Ciencias e Tecnologia, FCT, Universidade Nova de Lisboa, 2829-516 Caparica (Portugal); Dias, Antonio A.; Costa, Maria L. [CFA, Centro de Fisica Atomica, Departamento de Fisica, Faculdade de Ciencias e Tecnologia, FCT, Universidade Nova de Lisboa, 2829-516 Caparica (Portugal)

    2011-03-18

    Graphical abstract: Gas-phase UV photoelectron spectrum of the thermal decomposition of 5-aminotetrazole (5ATZ), obtained at 245 {sup o}C, and mechanism underlying the thermal dissociation of 2H-5ATZ. Research highlights: {yields} Electronic structure of 5ATZ studied by photoelectron spectroscopy. {yields} Gas-phase 5-ATZ exists mainly as the 2H-tautomer. {yields} Thermal decomposition of 5ATZ gives N{sub 2}, NH{sub 2}CN, HN{sub 3} and HCN, at 245 {sup o}C. {yields} HCN can be originated from a carbene intermediate. - Abstract: The electronic properties and thermal decomposition of 5-aminotetrazole (5ATZ) are investigated using UV photoelectron spectroscopy (UVPES) and theoretical calculations. Simulated spectra of both 1H- and 2H-5ATZ, based on electron propagator methods, are produced in order to study the relative gas-phase tautomer population. The thermal decomposition results are rationalized in terms of intrinsic reaction coordinate (IRC) calculations. 5ATZ yields a HOMO ionization energy of 9.44 {+-} 0.04 eV and the gas-phase 5ATZ assumes mainly the 2H-form. The thermal decomposition of 5ATZ leads to the formation of N{sub 2}, HN{sub 3} and NH{sub 2}CN as the primary products, and HCN from the decomposition of a intermediate CH{sub 3}N{sub 3} compound. The reaction barriers for the formation of HN{sub 3} and N{sub 2} from 2H-5ATZ are predicted to be {approx}228 and {approx}150 kJ/mol, at the G2(MP2) level, respectively. The formation of HCN and HNNH from the thermal decomposition of a CH{sub 3}N{sub 3} carbene intermediate is also investigated.

  15. Direct Imaging of Transient Fano Resonances in N_{2} Using Time-, Energy-, and Angular-Resolved Photoelectron Spectroscopy.

    Science.gov (United States)

    Eckstein, Martin; Yang, Chung-Hsin; Frassetto, Fabio; Poletto, Luca; Sansone, Giuseppe; Vrakking, Marc J J; Kornilov, Oleg

    2016-04-22

    Autoionizing Rydberg states of molecular N_{2} are studied using time-, energy-, and angular-resolved photoelectron spectroscopy. A femtosecond extreme ultraviolet pulse with a photon energy of 17.5 eV excites the resonance and a subsequent IR pulse ionizes the molecule before the autoionization takes place. The angular-resolved photoelectron spectra depend on pump-probe time delay and allow for the distinguishing of two electronic states contributing to the resonance. The lifetime of one of the contributions is determined to be 14±1  fs, while the lifetime of the other appears to be significantly shorter than the time resolution of the experiment. These observations suggest that the Rydberg states in this energy region are influenced by the effect of interference stabilization and merge into a complex resonance.

  16. Pulse plating of Pt on n-GaAs (1 0 0) wafer surfaces: Synchrotron induced photoelectron spectroscopy and XPS of wet fabrication processes

    International Nuclear Information System (INIS)

    Ensling, D.; Hunger, R.; Kraft, D.; Mayer, Th.; Jaegermann, W.; Rodriguez-Girones, M.; Ichizli, V.; Hartnagel, H.L.

    2003-01-01

    Preparation steps of Pt/n-GaAs Schottky contacts as applied in the fabrication process of varactor diode arrays for THz applications are analysed by photoelectron spectroscopy. Pulsed cathodic deposition of Pt onto GaAs (1 0 0) wafer surfaces from acidic solution has been studied by core level photoelectron spectroscopy using different excitation energies. A laboratory AlKα source as well as synchrotron radiation of hν=130 and 645 eV at BESSY was used. Chemical analyses and semiquantitative estimates of layer thickness are given for the natural oxide of an untreated wafer surface, a surface conditioning NH 3 etching step, and stepwise pulse plating of Pt. The structural arrangement of the detected species and interface potentials are considered

  17. Photoelectron spectroscopic study on electronic structure of butterfly-templated ZnO

    Energy Technology Data Exchange (ETDEWEB)

    Kamada, Masao; Sugiyama, Harue; Takahashi, Kazutoshi; Guo, Qixin [Synchrotron Light Application Center, Saga University, Honjo 1, Saga 840-8502 (Japan); Gu, Jiajun; Zhang, Wang; Fan, Tongxiang; Zhang, Di [State Key Laboratory of Metal Matrix Composites, Shanghai Jiaotong University, Shanghai 200030 (China)

    2010-06-15

    Biological systems have complicated hierarchical architecture involving nano-structures inside, and are expected as another candidate for new nano-templates. The present work reports the photoelectron spectroscopic study on electronic structure of the butterfly-templated ZnO that were successfully produced from butterfly wings. Ultraviolet Photoelectron Spectrum (UPS) of the butterfly-templated ZnO shows clearly the valence band and a Zn-3d peak, indicating that the butterfly-templated ZnO has the same electronic structure as bulk ZnO. However, the details show that the energy positions of the Zn-3d level and the valence-band structure are different between them. The present results indicate that the bonding interaction between Zn-4sp and O-2p orbitals is stronger in the butterfly-templated ZnO, probably due to the nano-structures inside. Important parameters such as band bending and electron affinity are also obtained. The larger band bending and the lower electron affinity are found in the butterfly-templated ZnO (copyright 2010 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  18. Many-body calculation of the coincidence L3 photoelectron spectroscopy main line of Ni metal

    International Nuclear Information System (INIS)

    Ohno, Masahide

    2008-01-01

    The partial singles L 3 photoelectron spectroscopy (PES) main line of Ni metal correlated with Auger electrons emitted by the localized L 3 -VV Auger decay is calculated by a many-body theory. The partial singles L 3 PES main line of Ni metal almost coincides in both line shape and peak kinetic energy (KE) with the singles one. The former main line peak shows a KE shift of only 0.01 eV toward the lower KE and a very small asymmetric line shape change compared to the singles one. The asymmetric line shape change and the peak KE shift of the partial singles L 3 main line are very small. However, they are due to the variation with photoelectron KE in the branching ratio of the partial Auger decay width in the partial singles L 3 PES main line by the photoelectron KE dependent imaginary part of the shakeup self-energy. The L 3 PES main line of Ni metal measured in coincidence with the L 3 -VV ( 1 G) Auger electron spectroscopy (AES) main line peak is the partial singles one modulated by a spectral function R a of a fixed energy Auger electron analyzer so that it should show only a symmetric line narrowing by R a compared to the singles one. The L 3 PES main line peak of Ni metal measured in coincidence with the delocalized band-like L 3 -VV AES peak or not completely split-off (or not completely localized) L 3 -VV ( 3 F) AES peak, will show an asymmetric line narrowing and a KE shift compared to the singles one. Thus, the L 3 PES main line of Ni metal in coincidence with various parts of the L 3 -VV AES spectrum depends on which part of the L 3 -VV AES spectrum a fixed energy Auger electron analyzer is set. The experimental verification is in need

  19. Electronic structure of lanthanide scandates

    Science.gov (United States)

    Mizzi, Christopher A.; Koirala, Pratik; Marks, Laurence D.

    2018-02-01

    X-ray photoelectron spectroscopy, ultraviolet photoelectron spectroscopy, and density functional theory calculations were used to study the electronic structure of three lanthanide scandates: GdSc O3,TbSc O3 , and DySc O3 . X-ray photoelectron spectra simulated from first-principles calculations using a combination of on-site hybrid and GGA +U methods were found to be in good agreement with experimental x-ray photoelectron spectra. The hybrid method was used to model the ground state electronic structure and the GGA +U method accounted for the shift of valence state energies due to photoelectron emission via a Slater-Janak transition state approach. From these results, the lanthanide scandate valence bands were determined to be composed of Ln 4 f ,O 2 p , and Sc 3 d states, in agreement with previous work. However, contrary to previous work the minority Ln 4 f states were found to be located closer to, and in some cases at, the valence band maximum. This suggests that minority Ln 4 f electrons may play a larger role in lanthanide scandate properties than previously thought.

  20. Dimensionality and its effects upon the valence electronic structure of ordered metallic systems

    International Nuclear Information System (INIS)

    Tobin, J.G.

    1983-07-01

    The system c(10x2)Ag/Cu(001) was investigated with Angle-Resolved Photoemission (ARP), Low Energy Electron Diffraction (LEED) and Auger Electron Spectroscopy (AES). LEED and AES provided the calibration of a quartz microbalance used to measure the amount of silver evaporated onto the copper single crystal and also established the monolayer geometrical structure at one monolayer exposure. An off-normal ARP bandmapping study performed with polarized HeI and NeI radiation demonstrated the electronically two-dimensional nature of the silver d-bands at coverages of near one monolayer. The states at the surface Brillouin Zone center were assigned upon the basis of their polarization dependences and a structural model of hexagonal symmetry. A normal emission ARP experiment was performed at the Stanford Synchrotron Radiation Laboratory (SSRL) over the photon energy range of 6 to 32 eV. Data from it documented the evolution of the valence electronic structure of the silver overlayer from a two-dimensional hexagonal valence to a three-dimensional behavior converging towards that of bulk Ag(111). A structural study was attempted using the ARP technique of Normal Emission Photoelectron Diffraction over the photon energy range of 3.4 to 3.7 keV at SSRL, the results of which are inconclusive

  1. Photoelectron studies of machined brass surfaces

    Science.gov (United States)

    Potts, A. W.; Merrison, J. P.; Tournas, A. D.; Yacoot, A.

    UV photoelectron spectroscopy has been used to determine the surface composition of machined brass. The results show a considerable change between the photoelectron surface composition and the bulk composition of the same sample determined by energy-dispersive X-ray fluorescence. On the surface the lead composition is increased by ˜900 G. This is consistent with the important part that lead is believed to play in improving the machinability of this alloy.

  2. Characterization of an Yb:LuVO{sub 4} single crystal using X-ray topography, high-resolution X-ray diffraction, and X-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Paszkowicz, W., E-mail: paszk@ifpan.edu.pl [Institute of Physics, Polish Academy of Sciences, al. Lotnikow 32/46, PL-02668 Warsaw (Poland); Romanowski, P.; Bak-Misiuk, J. [Institute of Physics, Polish Academy of Sciences, al. Lotnikow 32/46, PL-02668 Warsaw (Poland); Wierzchowski, W. [Institute of Electronic Materials Technology, Wolczynska 133, PL-01919 Warsaw (Poland); Wieteska, K. [Institute of Atomic Energy POLATOM, PL-05400 Otwock-Swierk (Poland); Graeff, W. [HASYLAB at DESY, Notkestr. 85, D-22603 Hamburg (Germany); Iwanowski, R.J. [Institute of Physics, Polish Academy of Sciences, al. Lotnikow 32/46, PL-02668 Warsaw (Poland); Heinonen, M.H. [Laboratory of Materials Science, Department of Physics, University of Turku, Vesilinnantie 5, FI-20014, Turku (Finland); Ermakova, O. [Institute of Physics, Polish Academy of Sciences, al. Lotnikow 32/46, PL-02668 Warsaw (Poland); Dabkowska, H. [Department of Physics, McMaster University, Hamilton, Ontario, L8S 4M1 (Canada)

    2011-10-15

    Knowledge on the defect and electronic structure allows for improved modeling of material properties. A short literature review has shown that the information on defect structure of rare earth orthovanadate single crystals is limited. In this paper, defect and electronic structure of a needle-shaped Yb:LuVO{sub 4} single crystal grown by the slow cooling method have been studied by means of X-ray diffraction topography employing white synchrotron beam, high-resolution diffraction (HRD) and photoelectron spectroscopy (XPS) techniques. Topographic investigations show that the crystal is composed of two blocks disoriented by about 1.5{sup o} and separated by a narrow deformed region. Some contrasts observed within the crystal volume may be attributed to glide bands and sector boundaries. The contrasts appearing in the vicinity of the surface may be interpreted as due to the presence of small inclusions. The HRD study indicates, in particular, that among point defects, the vacancy type defects dominate and that the density of other defects is small in comparison. The XPS measurements enabled, despite highly insulating properties of the studied crystal, an analysis of its bulk electronic structure, including the main core-levels (O 1s, V 2p, Lu 4f) as well as the valence band range.

  3. Valence ionized states of iron pentacarbonyl and eta5-cyclopentadienyl cobalt dicarbonyl studied by symmetry-adapted cluster-configuration interaction calculation and collision-energy resolved Penning ionization electron spectroscopy.

    Science.gov (United States)

    Fukuda, Ryoichi; Ehara, Masahiro; Nakatsuji, Hiroshi; Kishimoto, Naoki; Ohno, Koichi

    2010-02-28

    Valence ionized states of iron pentacarbonyl Fe(CO)(5) and eta(5)-cyclopentadienyl cobalt dicarbonyl Co(eta(5)-C(5)H(5))(CO)(2) have been studied by ultraviolet photoelectron spectroscopy, two-dimensional Penning ionization electron spectroscopy (2D-PIES), and symmetry-adapted cluster-configuration interaction calculations. Theory provided reliable assignments for the complex ionization spectra of these molecules, which have metal-carbonyl bonds. Theoretical ionization energies agreed well with experimental observations and the calculated wave functions could explain the relative intensities of PIES spectra. The collision-energy dependence of partial ionization cross sections (CEDPICS) was obtained by 2D-PIES. To interpret these CEDPICS, the interaction potentials between the molecules and a Li atom were examined in several coordinates by calculations. The relation between the slope of the CEDPICS and the electronic structure of the ionized states, such as molecular symmetry and the spatial distribution of ionizing orbitals, was analyzed. In Fe(CO)(5), an attractive interaction was obtained for the equatorial CO, while the interaction for the axial CO direction was repulsive. For Co(eta(5)-C(5)H(5))(CO)(2), the interaction potential in the direction of both Co-C-O and Co-Cp ring was attractive. These anisotropic interactions and ionizing orbital distributions consistently explain the relative slopes of the CEDPICS.

  4. Depth profiling the solid electrolyte interphase on lithium titanate (Li4Ti5O12) using synchrotron-based photoelectron spectroscopy

    DEFF Research Database (Denmark)

    Nordh, Tim; Younesi, Reza; Brandell, Daniel

    2015-01-01

    The presence of a surface layer on lithium titanate (Li4Ti5O12, LTO) anodes, which has been a topic of debate in scientific literature, is here investigated with tunable high surface sensitive synchrotron-based photoelectron spectroscopy (PES) to obtain a reliable depth profile of the interphase...

  5. Boron Doped diamond films as electron donors in photovoltaics: An X-ray absorption and hard X-ray photoemission study

    Energy Technology Data Exchange (ETDEWEB)

    Kapilashrami, M.; Zegkinoglou, I. [Advanced Light Source, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Department of Physics, University of Wisconsin Madison, Madison, Wisconsin 53706 (United States); Conti, G.; Nemšák, S.; Conlon, C. S.; Fadley, C. S. [Department of Physics, University of California, Davis, California 95616 (United States); Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Törndahl, T.; Fjällström, V. [Ångström Solar Center, Uppsala University, Box 534, SE-751 21 Uppsala (Sweden); Lischner, J. [Department of Physics, University of California, Berkeley, California 94720 (United States); Louie, Steven G. [Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Department of Physics, University of California, Berkeley, California 94720 (United States); Hamers, R. J.; Zhang, L. [Department of Chemistry, University of Wisconsin Madison, Madison, Wisconsin 53706 (United States); Guo, J.-H. [Advanced Light Source, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Himpsel, F. J., E-mail: fhimpsel@wisc.edu [Department of Physics, University of Wisconsin Madison, Madison, Wisconsin 53706 (United States)

    2014-10-14

    Highly boron-doped diamond films are investigated for their potential as transparent electron donors in solar cells. Specifically, the valence band offset between a diamond film (as electron donor) and Cu(In,Ga)Se₂ (CIGS) as light absorber is determined by a combination of soft X-ray absorption spectroscopy and hard X-ray photoelectron spectroscopy, which is more depth-penetrating than standard soft X-ray photoelectron spectroscopy. In addition, a theoretical analysis of the valence band is performed, based on GW quasiparticle band calculations. The valence band offset is found to be small: VBO=VBM{sub CIGS} – VBM{sub diamond}=0.3 eV±0.1 eV at the CIGS/Diamond interface and 0.0 eV±0.1 eV from CIGS to bulk diamond. These results provide a promising starting point for optimizing the band offset by choosing absorber materials with a slightly lower valence band maximum.

  6. Multi-reference approach to the calculation of photoelectron spectra including spin-orbit coupling

    Energy Technology Data Exchange (ETDEWEB)

    Grell, Gilbert; Bokarev, Sergey I., E-mail: sergey.bokarev@uni-rostock.de; Kühn, Oliver [Institut für Physik, Universität Rostock, D-18051 Rostock (Germany); Winter, Bernd; Seidel, Robert [Helmholtz-Zentrum Berlin für Materialien und Energie, Methods for Material Development, Albert-Einstein-Strasse 15, D-12489 Berlin (Germany); Aziz, Emad F. [Helmholtz-Zentrum Berlin für Materialien und Energie, Methods for Material Development, Albert-Einstein-Strasse 15, D-12489 Berlin (Germany); Department of Physics, Freie Universität Berlin, Arnimalle 14, D-14159 Berlin (Germany); Aziz, Saadullah G. [Chemistry Department, Faculty of Science, King Abdulaziz University, 21589 Jeddah (Saudi Arabia)

    2015-08-21

    X-ray photoelectron spectra provide a wealth of information on the electronic structure. The extraction of molecular details requires adequate theoretical methods, which in case of transition metal complexes has to account for effects due to the multi-configurational and spin-mixed nature of the many-electron wave function. Here, the restricted active space self-consistent field method including spin-orbit coupling is used to cope with this challenge and to calculate valence- and core-level photoelectron spectra. The intensities are estimated within the frameworks of the Dyson orbital formalism and the sudden approximation. Thereby, we utilize an efficient computational algorithm that is based on a biorthonormal basis transformation. The approach is applied to the valence photoionization of the gas phase water molecule and to the core ionization spectrum of the [Fe(H{sub 2}O){sub 6}]{sup 2+} complex. The results show good agreement with the experimental data obtained in this work, whereas the sudden approximation demonstrates distinct deviations from experiments.

  7. Time-resolved photoelectron spectrometry of a dephasing process in pyrazine

    International Nuclear Information System (INIS)

    Pavlov, R.L.; Pavlov, L.I.; Delchev, Ya.I.; Pavlova, S.I.

    2001-01-01

    The first femtosecond time-resolved photoelectron imaging (PEI) is presented. The method is characterized by photoionization of NO and further applied to ultrafast dephasing in pyrazine. Intermediate case behaviour in radiationless transition is clearly observed in time-resolved photoelectron kinetic energy distribution. Femtosecond PEI is with much improved efficiency than conventional photoelectron spectroscopies. It is anticipated that the unifield approach of time-resolved photoelectron and photoion imaging opens the possibility of observing photon-induced dynamics in real time

  8. Scanning photoelectron microscope for nanoscale three-dimensional spatial-resolved electron spectroscopy for chemical analysis.

    Science.gov (United States)

    Horiba, K; Nakamura, Y; Nagamura, N; Toyoda, S; Kumigashira, H; Oshima, M; Amemiya, K; Senba, Y; Ohashi, H

    2011-11-01

    In order to achieve nondestructive observation of the three-dimensional spatially resolved electronic structure of solids, we have developed a scanning photoelectron microscope system with the capability of depth profiling in electron spectroscopy for chemical analysis (ESCA). We call this system 3D nano-ESCA. For focusing the x-ray, a Fresnel zone plate with a diameter of 200 μm and an outermost zone width of 35 nm is used. In order to obtain the angular dependence of the photoelectron spectra for the depth-profile analysis without rotating the sample, we adopted a modified VG Scienta R3000 analyzer with an acceptance angle of 60° as a high-resolution angle-resolved electron spectrometer. The system has been installed at the University-of-Tokyo Materials Science Outstation beamline, BL07LSU, at SPring-8. From the results of the line-scan profiles of the poly-Si/high-k gate patterns, we achieved a total spatial resolution better than 70 nm. The capability of our system for pinpoint depth-profile analysis and high-resolution chemical state analysis is demonstrated. © 2011 American Institute of Physics

  9. BAND ALIGNMENT OF ULTRATHIN GIZO/SiO2/Si HETEROSTRUCTURE DETERMINED BY ELECTRON SPECTROSCOPY

    Directory of Open Access Journals (Sweden)

    Hee Jae Kang2

    2011-11-01

    Full Text Available Amorphous GaInZnO (GIZO thin films are grown on SiO2/Si substrate by the RF magnetron sputtering method. By thecombination of measured band gaps from reflection energy loss spectroscopy (REELS spectra and valence band fromX-ray photo-electron spectroscopy (XPS spectra, we have demonstrated the energy band alignment of GIZO thin films.The band gap values are 3.2 eV, 3.2 eV, 3.4eV and 3.6eV for the concentration ratios of Ga: In: Zn in GIZO thin filmsare 1:1:1, 2:2:1, 3:2:1 and 4:2:1, respectively. These are attributed to the larger band gap energy of Ga2O3 comparedwith In2O3 and ZnO. The valence band offsets (ΔEv decrease from 2.18 to 1.68 eV with increasing amount of Ga inGIZO thin films for GIZO1 to GIZO4, respectively. These experimental values of band gap and valence band offsetwill provide the further understanding in the fundamental properties of GIZO/SiO2/Si heterostructure, which will beuseful in the design, modeling and analysis of the performance devices applications.

  10. Investigation of buried metal-organic interface with photoelectron spectroscopy (PES)

    Energy Technology Data Exchange (ETDEWEB)

    Vrdoljak, Pavo; Schoell, Achim; Reinert, Friedrich [Universitaet Wuerzburg, Experimentelle Physik II, 97074 Wuerzburg (Germany); Umbach, Eberhard [Forschungszentrum Karlsruhe, 76021 Karlsruhe (Germany)

    2008-07-01

    Metal-organic interfaces are of crucial importance for electronic devices since they influence the layer morphology, the electronic structure at contacts, and the charge carrier transport. Various investigations have addressed this issue from the viewpoint of surface science, applying model systems with thin organic films on flat (single crystalline or amorphous) metal substrates. The contacts in electronic devices, however, can be very different. This is mainly due to the morphological roughness of the interface in case of a metal top contact deposited on an organic layer and the possible influence on the electronic structure. In case of real contacts also interdiffusion has to be taken into account. However, surface sensitive techniques such as photoelectron spectroscopy (PES) and atomic force microscopy (AFM) can not immediately access the buried interface. To tackle this problem we have applied and optimised a lift-off technique which allows the removal of the metal top-contact in the UHV and analyse the interface between the contact and the organic film. We present first PES and AFM results of Au contacts deposited on PTCDA layers.

  11. Study of strontium- and magnesium-doped lanthanum gallate solid electrolyte surface by X-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Datta, Pradyot; Majewski, Peter; Aldinger, Fritz

    2008-01-01

    The chemical states of the surface of the oxygen ion conducting solid electrolyte La 0.9 Sr 0.1 Ga 0.85 Mg 0.15 O 3-δ (LSGM 1015) as prepared by solid-state synthesis was analyzed by X-ray photoelectron spectroscopy. It was found that adventitious carbon did not interact with any of the constituent elements of LSGM 1015. Ga and La were found to exist in trivalent states. But, due to ionic bombardment presence of Mg could not be detected in the electrolyte surface

  12. New conception in the theory of chemical bonding; the role of core and valence atomic orbitals in formation of chemical bonds

    International Nuclear Information System (INIS)

    Kostikova, G.P.; Kostikov, Yu.P.; Korol'kov, D.V.

    1986-01-01

    An analysis of x-ray photoelectron spectra leads to a simple and consistent conception in the theory of chemical bonding, which satisfies (unlike the simple MO-LCAO theory) the virial theorem and defines the roles of the core and valence atomic orbitals in the formation of chemical bonds. Its essence is clear from the foregoing: the exothermic effects of the formation of complexes are caused by the lowering of the energies of the core levels of the central atoms with simultaneous small changes in the energies of the core levels of the ligands despite the significant destabilization of the delocalized valence MO's in comparison to the orbital energies of the corresponding free atoms. In order to confirm these ideas, they recorded the x-ray photoelectron spectra of the valence region and the inner levels of single-crystal silicon carbide, silicon, and graphite

  13. Adsorption of thiophene on a Si(0 0 1)-2 x 1 surface studied by photoelectron spectroscopy and diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Shimomura, M. [Research Institute of Electronics, Shizuoka University, Johoku, Hamamatsu 432-8011 (Japan)]. E-mail: romshimo@rie.shizuoka.ac.jp; Ikejima, Y. [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Katahira, Aoba-ku, Sendai 980-8577 (Japan); Yajima, K. [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Katahira, Aoba-ku, Sendai 980-8577 (Japan); Yagi, T. [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Katahira, Aoba-ku, Sendai 980-8577 (Japan); Goto, T. [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Katahira, Aoba-ku, Sendai 980-8577 (Japan); Gunnella, R. [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Katahira, Aoba-ku, Sendai 980-8577 (Japan); UdR INFM, Department of Physics, University of Camerino, Camerino 62032 (Italy); Abukawa, T. [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Katahira, Aoba-ku, Sendai 980-8577 (Japan); Fukuda, Y. [Research Institute of Electronics, Shizuoka University, Johoku, Hamamatsu 432-8011 (Japan); Kono, S. [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Katahira, Aoba-ku, Sendai 980-8577 (Japan)

    2004-10-15

    Chemisorption of thiophene on a Si(0 0 1) surface has been studied by synchrotron radiation induced photoelectron spectroscopy (SRPES). Two adsorption-related components in Si 2p and S 2p spectra are observed after exposure of thiophene. It is suggested that the two components of Si 2p are ascribed to silicon bonded to hydrocarbon and sulfur. The core-level shift resolved photoelectron diffraction (PED) result indicates that the low-kinetic-energy component of S 2p can be ascribed to 2,5-dihydrothiophehe (DHT)-like species. Another S 2p component could be assigned to dissociated sulfur based on the results of PED and time evolution of the spectrum under irradiation. These assignments are consistent with the core-level shift of S 2p.

  14. Adsorption of thiophene on a Si(0 0 1)-2 x 1 surface studied by photoelectron spectroscopy and diffraction

    International Nuclear Information System (INIS)

    Shimomura, M.; Ikejima, Y.; Yajima, K.; Yagi, T.; Goto, T.; Gunnella, R.; Abukawa, T.; Fukuda, Y.; Kono, S.

    2004-01-01

    Chemisorption of thiophene on a Si(0 0 1) surface has been studied by synchrotron radiation induced photoelectron spectroscopy (SRPES). Two adsorption-related components in Si 2p and S 2p spectra are observed after exposure of thiophene. It is suggested that the two components of Si 2p are ascribed to silicon bonded to hydrocarbon and sulfur. The core-level shift resolved photoelectron diffraction (PED) result indicates that the low-kinetic-energy component of S 2p can be ascribed to 2,5-dihydrothiophehe (DHT)-like species. Another S 2p component could be assigned to dissociated sulfur based on the results of PED and time evolution of the spectrum under irradiation. These assignments are consistent with the core-level shift of S 2p

  15. X-ray photoelectron spectroscopy study on Ba1-xEuxTiO3

    International Nuclear Information System (INIS)

    Lu, D.-Y.; Sugano, Mikio; Sun Xiuyun; Su Wenhui

    2005-01-01

    X-ray photoelectron spectroscopy is employed to study inner-shell core-level binding energies Eu 4d, Ti 2p and O 1s, Ba 3d for new single-phase Ba 1-x Eu x TiO 3 (0.1 ≤ x ≤ 0.4) samples prepared by solid state reaction at 4.0 GPa and 1090 deg. C. The peak positions of binding energies determined by linear background subtraction and Gaussian fit are presented. XPS analysis indicates that the mixed-valent Eu 3+ /Eu 2+ ions at A-site and Ti 4+ /Ti 3+ ions at B-site coexisted in the Ba 1-x Eu x TiO 3 powder surface, and the amount of Eu 2+ ions is equal to Eu 3+ ions

  16. Lyophilized histidine investigated using X-ray photoelectron spectroscopy and cryogenics: Deprotonation in vacuum

    Energy Technology Data Exchange (ETDEWEB)

    Cardenas, Juan F. [Inorganic Chemistry, Umeaa University, 90187 Umeaa (Sweden)]. E-mail: juan.cardenas@chem.umu.se; Groebner, Gerhard [Biophysical Chemistry, Umeaa University, 90187 Umeaa (Sweden)

    2005-08-15

    Lyophilized histidine samples were investigated using X-ray photoelectron spectroscopy (XPS). Lyophilized samples were prepared from aqueous solutions at a pH in the range between {approx}1.5 and {approx}10, and with no further addition of electrolyte. The use of cryogenics allowed the determination of protonated to unprotonated molar ratios of sites in L-histidine, which correlates well with the dissociation constants of the residual amino acid sites. When cryogenics was not used deprotonation of the lyophilized samples occurred, where the degree and the total concentration of deprotonated sites correlates well with the formation constants and the decrease in Cl concentration, respectively. This later relation clearly indicates a correlation between deprotonation and the desorption of HCl from lyophilized samples.

  17. Lyophilized histidine investigated using X-ray photoelectron spectroscopy and cryogenics: Deprotonation in vacuum

    International Nuclear Information System (INIS)

    Cardenas, Juan F.; Groebner, Gerhard

    2005-01-01

    Lyophilized histidine samples were investigated using X-ray photoelectron spectroscopy (XPS). Lyophilized samples were prepared from aqueous solutions at a pH in the range between ∼1.5 and ∼10, and with no further addition of electrolyte. The use of cryogenics allowed the determination of protonated to unprotonated molar ratios of sites in L-histidine, which correlates well with the dissociation constants of the residual amino acid sites. When cryogenics was not used deprotonation of the lyophilized samples occurred, where the degree and the total concentration of deprotonated sites correlates well with the formation constants and the decrease in Cl concentration, respectively. This later relation clearly indicates a correlation between deprotonation and the desorption of HCl from lyophilized samples

  18. Analysis of electron-irradiated poly-ether ether ketone by X-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Oyabu, Matashige; Kobayashi, Yoshinori; Seguchi, Tadao; Sasuga, Tsuneo; Kudoh, Hisaaki.

    1995-01-01

    Organic polymers used in atomic power plants or space are damaged by ionizing irradiation. Radicals produced by irradiation cause oxidation, chain scission and crosslinking, all of which lead to degradation of the material. In this paper, the surface of electron-irradiated poly-ether ether ketone (PEEK) was studied by X-ray photoelectron spectroscopy (XPS). The irradiation in air was found to oxidize the PEEK surface producing carboxyl groups, the content of which dependant on the dose. Carboxyl groups were not produced in helium gas. Quantitative spectral analysis indicated that the aromatic structure might be decomposed. Some comparison was made between the semicrystalline and amorphous samples. The oxygen content resulting from irradiation, of semicrystalline PEEK increased more than that of amorphous PEEK. (author)

  19. Spin state and satellite structures of ε-Fe.sub.2./sub.O.sub.3./sub. as determined by resonant photoelectron spectroscopy

    Czech Academy of Sciences Publication Activity Database

    Schmeißer, D.; Haeberle, J.; Richter, M.; Brázda, Petr

    2015-01-01

    Roč. 364, Dec (2015), 127-131 ISSN 0168-583X R&D Projects: GA ČR GAP204/10/0035 Institutional support: RVO:68378271 Keywords : resonant photoelectron spectroscopy, * ε-Fe 2 O 3 * satellite emission Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.389, year: 2015

  20. Single-order laser high harmonics in XUV for ultrafast photoelectron spectroscopy of molecular wavepacket dynamics

    Directory of Open Access Journals (Sweden)

    Mizuho Fushitani

    2016-11-01

    Full Text Available We present applications of extreme ultraviolet (XUV single-order laser harmonics to gas-phase ultrafast photoelectron spectroscopy. Ultrashort XUV pulses at 80 nm are obtained as the 5th order harmonics of the fundamental laser at 400 nm by using Xe or Kr as the nonlinear medium and separated from other harmonic orders by using an indium foil. The single-order laser harmonics is applied for real-time probing of vibrational wavepacket dynamics of I2 molecules in the bound and dissociating low-lying electronic states and electronic-vibrational wavepacket dynamics of highly excited Rydberg N2 molecules.

  1. Single-order laser high harmonics in XUV for ultrafast photoelectron spectroscopy of molecular wavepacket dynamics.

    Science.gov (United States)

    Fushitani, Mizuho; Hishikawa, Akiyoshi

    2016-11-01

    We present applications of extreme ultraviolet (XUV) single-order laser harmonics to gas-phase ultrafast photoelectron spectroscopy. Ultrashort XUV pulses at 80 nm are obtained as the 5th order harmonics of the fundamental laser at 400 nm by using Xe or Kr as the nonlinear medium and separated from other harmonic orders by using an indium foil. The single-order laser harmonics is applied for real-time probing of vibrational wavepacket dynamics of I 2 molecules in the bound and dissociating low-lying electronic states and electronic-vibrational wavepacket dynamics of highly excited Rydberg N 2 molecules.

  2. Molar concentration-depth profiles at the solution surface of a cationic surfactant reconstructed with angle resolved X-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Wang Chuangye; Morgner, Harald

    2011-01-01

    In the current work, we first reconstructed the molar fraction-depth profiles of cation and anion near the surface of tetrabutylammonium iodide dissolved in formamide by a refined calculation procedure, based on angle resolved X-ray photoelectron spectroscopy experiments. In this calculation procedure, both the transmission functions of the core levels and the inelastic mean free paths of the photoelectrons have been taken into account. We have evaluated the partial molar volumes of surfactant and solvent by the densities of such solutions with different bulk concentrations. With those partial molar volumes, the molar concentration-depth profiles of tetrabutylammonium ion and iodide ion were determined. The surface excesses of both surfactant ions were then achieved directly by integrating these depth profiles. The anionic molar concentration-depth profiles and surface excesses have been compared with their counterparts determined by neutral impact ion scattering spectroscopy. The comparisons exhibit good agreements. Being capable of determining molar concentration-depth profiles of surfactant ions by core levels with different kinetic energies may extend the applicable range of ARXPS in investigating solution surfaces.

  3. Boron Doped diamond films as electron donors in photovoltaics: An X-ray absorption and hard X-ray photoemission study

    International Nuclear Information System (INIS)

    Kapilashrami, M.; Zegkinoglou, I.; Conti, G.; Nemšák, S.; Conlon, C. S.; Fadley, C. S.; Törndahl, T.; Fjällström, V.; Lischner, J.; Louie, Steven G.; Hamers, R. J.; Zhang, L.; Guo, J.-H.; Himpsel, F. J.

    2014-01-01

    Highly boron-doped diamond films are investigated for their potential as transparent electron donors in solar cells. Specifically, the valence band offset between a diamond film (as electron donor) and Cu(In,Ga)Se 2 (CIGS) as light absorber is determined by a combination of soft X-ray absorption spectroscopy and hard X-ray photoelectron spectroscopy, which is more depth-penetrating than standard soft X-ray photoelectron spectroscopy. In addition, a theoretical analysis of the valence band is performed, based on GW quasiparticle band calculations. The valence band offset is found to be small: VBO = VBM CIGS – VBM diamond  = 0.3 eV ± 0.1 eV at the CIGS/Diamond interface and 0.0 eV ± 0.1 eV from CIGS to bulk diamond. These results provide a promising starting point for optimizing the band offset by choosing absorber materials with a slightly lower valence band maximum.

  4. Cerium valence change in the solid solutions Ce(Rh1-xRux)Sn

    International Nuclear Information System (INIS)

    Niehaus, Oliver; Riecken, Jan F.; Winter, Florian; Poettgen, Rainer; Muenster Univ.; Abdala, Paula M.; Chevalier, Bernard

    2013-01-01

    The solid solutions Ce(Rh 1-x Ru x )Sn were investigated by means of susceptibility measurements, specific heat, electrical resistivity, X-ray absorption spectroscopy (XAS), and 119 Sn Moessbauer spectroscopy. Magnetic measurements as well as XAS data show a cerium valence change in dependence on the ruthenium content. Higher ruthenium content causes an increase from 3.22 to 3.45 at 300 K. Furthermore χ and χ -1 data indicate valence fluctuation for cerium as a function of temperature. For example, Ce(Rh 0.8 Ru 0.2 )Sn exhibits valence fluctuations between 3.42 and 3.32 in the temperature range of 10 to 300 K. This could be proven by using the interconfiguration fluctuation (ICF) model introduced by Sales and Wohlleben. Cerium valence change does not influence the tin atoms as proven by 119 Sn Moessbauer spectroscopy, but it influences the electrical properties. Ce(Rh 0.9 Ru 0.1 )Sn behaves like a typical valence fluctuating compound, and higher ruthenium content causes an increase of the metallic behavior. (orig.)

  5. High-order multiphoton ionization photoelectron spectroscopy of NO

    International Nuclear Information System (INIS)

    Carman, H.S. Jr.; Compton, R.N.

    1987-01-01

    Photoelectron energy angular distributions of NO following three different high-order multiphoton ionization (MPI) schemes have been measured. The 3 + 3 resonantly enhanced multiphoton ionization (REMPI) via the A 2 Σ + (v=O) level yielded a distribution of electron energies corresponding to all accessible vibrational levels (v + =O-6) of the nascent ion. Angular distributions of electrons corresponding to v + =O and v + =3 were significantly different. The 3 + 2 REMPI via the A 2 Σ + (v=1) level produced only one low-energy electron peak (v + =1). Nonresonant MPI at 532 nm yielded a distribution of electron energies corresponding to both four- and five-photon ionization. Prominent peaks in the five-photon photoelectron spectrum (PES) suggest contributions from near-resonant states at the three-photon level. 4 refs., 3 figs

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2002-01-01

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

  7. Structure determination of chitosan-stabilized Pt and Pd based bimetallic nanoparticles by X-ray photoelectron spectroscopy and transmission electron microscopy

    International Nuclear Information System (INIS)

    Wu, Lihua; Shafii, Salimah; Nordin, Mohd Ridzuan; Liew, Kong Yong; Li, Jinlin

    2012-01-01

    Chitosan (CTS)-stabilized bimetallic nanoparticles were prepared at room temperature (rt.) in aqueous solution. Palladium (Pd) and platinum (Pt) were selected as the first metals while iron (Fe) and nickel (Ni) functioned as the second metals. In order to obtain the noble metal core-transition metal shell structures, bimetallic nanoparticles were prepared in a two-step process: the preparation of mono noble metallic (Pd or Pt) nanoparticles and the deposition of transition metals (Fe or Ni) on the surface of the monometallic nanoparticles. The structures of the nanoparticles were studied using X-ray photoelectron spectroscopy (XPS) and transmission electron microscopy (TEM). The XPS results show that Pd and Pt exist mainly in zero valences. The presence of Fe and Ni in the bimetallic nanoparticles affects the binding energy of Pd and Pt. Moreover, the studies of O 1s spectra indicate the presence of Fe or Ni shells. The analyses of TEM micrographs give the particle size and size distributions while the high-resolution TEM (HRTEM) micrographs show the existence of noble metal core lattices. The results confirm the formation of noble metal core-transition metal shell structures. -- Highlights: ► Chitosan-stabilized bimetallic nanoparticles were prepared at room temperature in aqueous solution. ► The presence of Fe or Ni shells was proven by XPS study. ► The existence of noble metal cores covered by amorphous shells was indicated by TEM study. ► The formation of noble metal core-transition metal shell structures was confirmed.

  8. High temperature and high resolution uv photoelectron spectroscopy using supersonic molecular beams

    International Nuclear Information System (INIS)

    Wang, Lai-Sheng; Reutt-Robey, J.E.; Niu, B.; Lee, Y.T.; Shirley, D.A.

    1989-07-01

    A high temperature molecular beam source with electron bombardment heating has been built for high resolution photoelectron spectroscopic studies of high temperature species and clusters. This source has the advantages of: producing an intense, continuous, seeded molecular beam, eliminating the interference of the heating mechanism from the photoelectron measurement. Coupling the source with our hemispherical electron energy analyzer, we can obtain very high resolution HeIα (584 angstrom) photoelectron spectra of high temperature species. Vibrationally-resolved photoelectron spectra of PbSe, As 2 , As 4 , and ZnCl 2 are shown to demonstrate the performance of the new source. 25 refs., 8 figs., 1 tab

  9. Accurate quasiparticle calculation of x-ray photoelectron spectra of solids.

    Science.gov (United States)

    Aoki, Tsubasa; Ohno, Kaoru

    2018-05-31

    It has been highly desired to provide an accurate and reliable method to calculate core electron binding energies (CEBEs) of crystals and to understand the final state screening effect on a core hole in high resolution x-ray photoelectron spectroscopy (XPS), because the ΔSCF method cannot be simply used for bulk systems. We propose to use the quasiparticle calculation based on many-body perturbation theory for this problem. In this study, CEBEs of band-gapped crystals, silicon, diamond, β-SiC, BN, and AlP, are investigated by means of the GW approximation (GWA) using the full ω integration and compared with the preexisting XPS data. The screening effect on a deep core hole is also investigated in detail by evaluating the relaxation energy (RE) from the core and valence contributions separately. Calculated results show that not only the valence electrons but also the core electrons have an important contribution to the RE, and the GWA have a tendency to underestimate CEBEs due to the excess RE. This underestimation can be improved by introducing the self-screening correction to the GWA. The resulting C1s, B1s, N1s, Si2p, and Al2p CEBEs are in excellent agreement with the experiments within 1 eV absolute error range. The present self-screening corrected GW approach has the capability to achieve the highly accurate prediction of CEBEs without any empirical parameter for band-gapped crystals, and provide a more reliable theoretical approach than the conventional ΔSCF-DFT method.

  10. Accurate quasiparticle calculation of x-ray photoelectron spectra of solids

    Science.gov (United States)

    Aoki, Tsubasa; Ohno, Kaoru

    2018-05-01

    It has been highly desired to provide an accurate and reliable method to calculate core electron binding energies (CEBEs) of crystals and to understand the final state screening effect on a core hole in high resolution x-ray photoelectron spectroscopy (XPS), because the ΔSCF method cannot be simply used for bulk systems. We propose to use the quasiparticle calculation based on many-body perturbation theory for this problem. In this study, CEBEs of band-gapped crystals, silicon, diamond, β-SiC, BN, and AlP, are investigated by means of the GW approximation (GWA) using the full ω integration and compared with the preexisting XPS data. The screening effect on a deep core hole is also investigated in detail by evaluating the relaxation energy (RE) from the core and valence contributions separately. Calculated results show that not only the valence electrons but also the core electrons have an important contribution to the RE, and the GWA have a tendency to underestimate CEBEs due to the excess RE. This underestimation can be improved by introducing the self-screening correction to the GWA. The resulting C1s, B1s, N1s, Si2p, and Al2p CEBEs are in excellent agreement with the experiments within 1 eV absolute error range. The present self-screening corrected GW approach has the capability to achieve the highly accurate prediction of CEBEs without any empirical parameter for band-gapped crystals, and provide a more reliable theoretical approach than the conventional ΔSCF-DFT method.

  11. Fessibility Study on Nitrogen in Explosives using X-ray Photoelectron Spectroscopy: Chemical Fertilizer

    International Nuclear Information System (INIS)

    Dararutana, P.

    2014-01-01

    It was known that an explosive is defined as a material which contains a large amount of energy stored in chemical bonds. The energetic stability of gaseous products, and hence, their generation come from the strong bond formation of carbon (mono/di)oxide and (di)nitrogen. Consequently, most commercial explosives are contained -NO 2 , -ONO 2 and/or -NHNO 2 groups which when detonated release gases like the aforementioned ones, e.g., nitroglycerin, TNT, HMX, PETN, nitrocellulose, etc. It was revealed that the elemental compositions, especially N was found in most of the explosive and fertilizer. Chemical fertilizers that used as explosive stimulants were analyzed using X-ray photoelectron spectroscopy (XPS) and scanning electron microscope coupled with energy-dispersive X-ray fluorescence spectroscopy (SEM-EDS). XPS spectra showed relatively high amount of nitrogen (N) in the various samples, especially sample #6 and #7. In addition, the elemental analysis revealed the presence of trace elements. Explosives and fertilizers have differences in specific compositions. It can be concluded that these methods seem to be used as a fingerprint examination to identify various kinds of explosives and fertilizers.

  12. Dissociative photoionization of the NO molecule studied by photoelectron-photon coincidence technique

    International Nuclear Information System (INIS)

    Kivimaeki, A.; Alvarez-Ruiz, J.; Coreno, M.; Simone, M. de; Moise, A.; Partanen, L.; Richter, R.; Stankiewicz, M.

    2010-01-01

    Low-energy photoelectron-vacuum ultraviolet (VUV) photon coincidences have been measured using synchrotron radiation excitation in the inner-valence region of the nitric oxide molecule. The capabilities of the coincidence set-up were demonstrated by detecting the 2s -1 → 2p -1 radiative transitions in coincidence with the 2s photoelectron emission in Ne. In NO, the observed coincidence events are attributed to dissociative photoionization with excitation, whereby photoelectron emission is followed by fragmentation of excited NO + ions into O + + N* or N + + O* and VUV emission from an excited neutral fragment. The highest coincidence rate occurs with the opening of ionization channels which are due to correlation satellites of the 3σ photoionization. The decay time of VUV photon emission was also measured, implying that specific excited states of N atoms contribute significantly to observed VUV emission.

  13. X-ray photoelectron spectroscopy study of CO2 reaction with polycrystalline uranium surface

    International Nuclear Information System (INIS)

    Liu Kezhao; Yu Yong; Zhou Juesheng; Wu Sheng; Wang Xiaolin; Fu Yibei

    1999-10-01

    The adsorption of CO 2 on 'clean' depleted polycrystalline uranium metal surface has been studied by X-ray photoelectron spectroscopy (XPS) at 300 K. The 'clean' surface were prepared by Ar + ion sputtering under ultra-high vacuum (UHV) condition with a base pressure 6.7 x 10 -8 Pa. The result s shows that adsorption of CO 2 on 'clean' uranium metal took place in total dissociation, and leads to the formation of uranium dioxide, uranium carbides and free carbon. The total dissociation of CO 2 produced carbon, oxygen species, CO 2 2- and CO 3 2- species. The diffusion tendency of carbon was much stronger than that of oxygen, and led to form a carbide in oxide-metal interface while the oxygen remained on their surface as an oxide

  14. Elemental content of enamel and dentin after bleaching of teeth (a comparative study between laser-induced breakdown spectroscopy and x-ray photoelectron spectroscopy)

    Energy Technology Data Exchange (ETDEWEB)

    Imam, H. [National Institute of Laser Enhanced Sciences, NILES, Cairo University, Giza (Egypt); Ahmed, Doaa [Department of Restorative Sciences, Faculty of Dentistry, Alexandria University, Alexandria (Egypt); Eldakrouri, Ashraf [National Institute of Laser Enhanced Sciences, NILES, Cairo University, Giza (Egypt); Department of Optometry and Vision Science, College of Applied Medical Science, King Saud University, Riyadh (Saudi Arabia)

    2013-06-21

    The elemental content of the superficial and inner enamel as well as that of dentin was analyzed using laser-induced breakdown spectroscopy (LIBS) and x-ray photoelectron spectroscopy (XPS) of bleached and unbleached tooth specimens. It is thus clear from the spectral analysis using both the LIBS and XPS technique that elemental changes (though insignificant within the scopes of this study) of variable intensities do occur on the surface of the enamel and extend deeper to reach dentin. The results of the LIBS revealed a slight reduction in the calcium levels in the bleached compared to the control specimens in all the different bleaching groups and in both enamel and dentin. The good correlation found between the LIBS and XPS results demonstrates the possibility of LIBS technique for detection of minor loss in calcium and phosphorus in enamel and dentin.

  15. Elemental content of enamel and dentin after bleaching of teeth (a comparative study between laser-induced breakdown spectroscopy and x-ray photoelectron spectroscopy)

    International Nuclear Information System (INIS)

    Imam, H.; Ahmed, Doaa; Eldakrouri, Ashraf

    2013-01-01

    The elemental content of the superficial and inner enamel as well as that of dentin was analyzed using laser-induced breakdown spectroscopy (LIBS) and x-ray photoelectron spectroscopy (XPS) of bleached and unbleached tooth specimens. It is thus clear from the spectral analysis using both the LIBS and XPS technique that elemental changes (though insignificant within the scopes of this study) of variable intensities do occur on the surface of the enamel and extend deeper to reach dentin. The results of the LIBS revealed a slight reduction in the calcium levels in the bleached compared to the control specimens in all the different bleaching groups and in both enamel and dentin. The good correlation found between the LIBS and XPS results demonstrates the possibility of LIBS technique for detection of minor loss in calcium and phosphorus in enamel and dentin.

  16. Photoelectron spectroscopy of liquid water and aqueous solution: Electron effective attenuation lengths and emission-angle anisotropy

    Energy Technology Data Exchange (ETDEWEB)

    Ottosson, Niklas [Department of Physics, Uppsala University, SE-75121 Uppsala (Sweden); Faubel, Manfred [Max-Planck-Institut fuer Dynamik und Selbstorganisation, Bunsenstrasse 10, D-37073 Goettingen (Germany); Bradforth, Stephen E. [Department of Chemistry, University of Southern California, Los Angeles, CA 90089 (United States); Jungwirth, Pavel [Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, and Center for Biomolecules and Complex Molecular Systems, Flemingovo nam. 2, 16610 Prague 6 (Czech Republic); Winter, Bernd, E-mail: winter@bessy.d [Helmholtz-Zentrum Berlin fuer Materialien und Energie, and BESSY, Albert-Einstein-Strasse 15, D-12489 Berlin (Germany); Max-Born-Institut, Max-Born-Strasse 2A, D-12489 Berlin (Germany)

    2010-03-15

    Photoelectron (PE) spectroscopy measurements from liquid water and from a 4 m NaI aqueous solution are performed using a liquid microjet in combination with soft X-ray synchrotron radiation. From the oxygen 1s PE signal intensity from liquid water, measured as a function of photon energy (up to 1500 eV), we quantitatively determine relative electron inelastic effective attenuation lengths (EAL) for (photo)electron kinetic energies in the 70-900 eV range. In order to determine the absolute electron escape depths a calibration point is needed, which is not directly accessible by experiment. This information can instead be indirectly derived by comparing PE experiments and molecular dynamics (MD) simulations of an aqueous solution interface where density profiles of water, anions, and cations are distinctively different. We have chosen sodium iodide in water because iodide has a considerable propensity for the solution surface, whereas the sodium cation is repelled from the surface. By measuring the intensities of photoelectrons emitted from different orbitals of different symmetries from each aqueous ion we also evaluate whether gas-phase ionization cross sections and asymmetry parameters can describe the photoemission from ions at and near the aqueous solution/vapor interface. We show that gas-phase data reproduce surprisingly well the experimental observations for hydrated ions as long as the photon energy is sufficiently far above the ionization threshold. Electrons detected at the higher photon energies originate predominantly from deeper layers, suggesting that bulk-solution electron elastic scattering is relatively weak.

  17. Deep-level optical spectroscopy investigation of N-doped TiO2 films

    International Nuclear Information System (INIS)

    Nakano, Yoshitaka; Morikawa, Takeshi; Ohwaki, Takeshi; Taga, Yasunori

    2005-01-01

    N-doped TiO 2 films were deposited on n + -GaN/Al 2 O 3 substrates by reactive magnetron sputtering and subsequently crystallized by annealing at 550 deg. C in flowing N 2 gas. The N-doping concentration was ∼8.8%, as determined from x-ray photoelectron spectroscopy measurements. Deep-level optical spectroscopy measurements revealed two characteristic deep levels located at ∼1.18 and ∼2.48 eV below the conduction band. The 1.18 eV level is probably attributable to the O vacancy state and can be active as an efficient generation-recombination center. Additionally, the 2.48 eV band is newly introduced by the N doping and contributes to band-gap narrowing by mixing with the O 2p valence band

  18. Ultrahigh-vacuum in situ electrochemistry with solid polymer electrolyte and x-ray photoelectron spectroscopy studies of polypyrrole

    International Nuclear Information System (INIS)

    Skotheim, T.A.; Florit, M.I.; Melo, A.; O'Grady, W.E.

    1984-01-01

    A new in situ combined electrochemistry and x-ray-photoelectron-spectroscopy (XPS) technique using solid polymer electrolytes has been used to characterize electrically conducting films of polypyrrole perchlorate. The technique allows in situ electrochemical oxidation and reduction (doping and undoping) in ultrahigh vacuum and the simultaneous study of the polymer with XPS as a function of its electrochemical potential. We demonstrate that some anion species interact strongly electrostatically with the nitrogen heteroatoms. We also show conclusively that the electrochemistry of polypyrrole is highly irreversible

  19. Initial surface film on magnesium metal: A characterization by X-ray photoelectron spectroscopy (XPS) and photocurrent spectroscopy (PCS)

    International Nuclear Information System (INIS)

    Santamaria, M.; Di Quarto, F.; Zanna, S.; Marcus, P.

    2007-01-01

    A detailed investigation of the initial film grown on mechanically polished Mg electrodes has been carried out by ex situ X-ray Photoelectron Spectroscopy (XPS) and in situ Photocurrent Spectroscopy (PCS), allowing to reach a detailed picture of the passive layer structure. The XPS data show that the films formed soon after mechanical treatment and immersion in aqueous electrolyte have a bilayer structure, consisting of an ultra-thin MgO inner layer (∼2.5 nm) and a Mg(OH) 2 external layer. The thickness of the Mg(OH) 2 layer is a function of immersion time and solution temperature. After mechanical treatment and immersion in aqueous solution at room temperature, the MgO/Mg(OH) 2 layer in some area of electrodes is so thin to allow an electron photoemission process from the Mg Fermi level to the electrolyte conduction band. Only internal photoemission processes are evidenced for Mg electrodes aged in NaOH at 80 deg. C, due the formation of a thicker Mg(OH) 2 layer. From anodic photocurrent spectra an optical band gap of ∼4.25 eV has been estimated for Mg(OH) 2 , lower with respect to the optical gap of the corresponding anhydrous counterpart

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

    International Nuclear Information System (INIS)

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

    2004-01-01

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

  1. Control of the spin polarization of photoelectrons/photoions using short laser pulses

    International Nuclear Information System (INIS)

    Nakajima, Takashi

    2004-01-01

    We present a generic pump-probe scheme to control spin polarization of photoelectrons/photoions by short laser pulses. By coherently exciting fine structure manifolds of a multi-valence-electron system by the pump laser, a superposition of fine structure states is created. Since each fine structure state can be further decomposed into a superposition of various spin states of valence electrons, each spin component evolves differently in time. This means that varying the time delay between the pump and probe lasers leads to the control of spin states. Specific theoretical results are presented for two-valence-electron atoms, in particular for Mg, which demonstrate that not only the degree of spin polarization but also its sign can be manipulated through time delay. Since the underline physics is rather general and transparent, the presented idea may be potentially applied to nanostructures such as quantum wells and quantum dots

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

    Directory of Open Access Journals (Sweden)

    Yarzhemsky Victor G.

    2012-01-01

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

  3. Imaging photoelectron photoion coincidence spectroscopy with velocity focusing electron optics

    International Nuclear Information System (INIS)

    Bodi, Andras; Johnson, Melanie; Gerber, Thomas; Gengeliczki, Zsolt; Sztaray, Balint; Baer, Tomas

    2009-01-01

    An imaging photoelectron photoion coincidence spectrometer at the vacuum ultraviolet (VUV) beamline of the Swiss Light Source is presented and a few initial measurements are reported. Monochromatic synchrotron VUV radiation ionizes the cooled or thermal gas-phase sample. Photoelectrons are velocity focused, with better than 1 meV resolution for threshold electrons, and also act as start signal for the ion time-of-flight analysis. The ions are accelerated in a relatively low, 40-80 V cm -1 field, which enables the direct measurement of rate constants in the 10 3 -10 7 s -1 range. All electron and ion events are recorded in a triggerless multiple-start/multiple-stop setup, which makes it possible to carry out coincidence experiments at >100 kHz event frequencies. As examples, the threshold photoelectron spectrum of the argon dimer and the breakdown diagrams for hydrogen atom loss in room temperature methane and the chlorine atom loss in cold chlorobenzene are shown and discussed.

  4. Interfacial chemistry and energy band alignment of TiAlO on 4H-SiC determined by X-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Wang, Qian; Cheng, Xinhong; Zheng, Li; Ye, Peiyi; Li, Menglu; Shen, Lingyan; Li, Jingjie; Zhang, Dongliang; Gu, Ziyue; Yu, Yuehui

    2017-01-01

    Highlights: • Composite TiAlO rather than TiO_2-Al_2O_3 laminations is deposited on 4H-SiC by PEALD. • An interfacial layer composed of Ti, Si, O and C forms between TiAlO and 4H-SiC. • TiAlO offers competitive barrier heights (>1 eV) for both electrons and holes. - Abstract: Intermixing of TiO_2 with Al_2O_3 to form TiAlO films on 4H-SiC is expected to simultaneously boost the dielectric constant and achieve sufficient conduction/valence band offsets (CBO/VBO) between dielectrics and 4H-SiC. In this work, a composite TiAlO film rather than TiO_2-Al_2O_3 laminations is deposited on 4H-SiC by plasma enhanced atomic layer deposition (PEALD). X-ray photoelectron spectroscopy (XPS) is performed to systematically analyze the interfacial chemistry and energy band alignment between TiAlO and 4H-SiC. An interfacial layer composed of Ti, Si, O and C forms between TiAlO and 4H-SiC during PEALD process. The VBO and CBO between TiAlO and 4H-SiC are determined to be 1.45 eV and 1.10 eV, respectively, which offer competitive barrier heights (>1 eV) for both electrons and holes and make it suitable for the fabrication of 4H-SiC metal-oxide-semiconductor field effect transistors (MOSFETs).

  5. Interfacial chemistry and energy band alignment of TiAlO on 4H-SiC determined by X-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Qian [State Key Laboratory of Functional Materials for Informatics, Shanghai Institute of Micro-System & Information Technology, Chinese Academy of Sciences, Changning Road 865, Shanghai 200050 (China); University of Chinese Academy of Sciences, Beijing 100049 (China); Cheng, Xinhong, E-mail: xh_cheng@mail.sim.ac.cn [State Key Laboratory of Functional Materials for Informatics, Shanghai Institute of Micro-System & Information Technology, Chinese Academy of Sciences, Changning Road 865, Shanghai 200050 (China); Zheng, Li, E-mail: zhengli@mail.sim.ac.cn [State Key Laboratory of Functional Materials for Informatics, Shanghai Institute of Micro-System & Information Technology, Chinese Academy of Sciences, Changning Road 865, Shanghai 200050 (China); University of Chinese Academy of Sciences, Beijing 100049 (China); Ye, Peiyi; Li, Menglu [Department of Materials Science and Engineering, University of California, Los Angeles, CA, 90095 (United States); Shen, Lingyan; Li, Jingjie; Zhang, Dongliang; Gu, Ziyue [State Key Laboratory of Functional Materials for Informatics, Shanghai Institute of Micro-System & Information Technology, Chinese Academy of Sciences, Changning Road 865, Shanghai 200050 (China); University of Chinese Academy of Sciences, Beijing 100049 (China); Yu, Yuehui [State Key Laboratory of Functional Materials for Informatics, Shanghai Institute of Micro-System & Information Technology, Chinese Academy of Sciences, Changning Road 865, Shanghai 200050 (China)

    2017-07-01

    Highlights: • Composite TiAlO rather than TiO{sub 2}-Al{sub 2}O{sub 3} laminations is deposited on 4H-SiC by PEALD. • An interfacial layer composed of Ti, Si, O and C forms between TiAlO and 4H-SiC. • TiAlO offers competitive barrier heights (>1 eV) for both electrons and holes. - Abstract: Intermixing of TiO{sub 2} with Al{sub 2}O{sub 3} to form TiAlO films on 4H-SiC is expected to simultaneously boost the dielectric constant and achieve sufficient conduction/valence band offsets (CBO/VBO) between dielectrics and 4H-SiC. In this work, a composite TiAlO film rather than TiO{sub 2}-Al{sub 2}O{sub 3} laminations is deposited on 4H-SiC by plasma enhanced atomic layer deposition (PEALD). X-ray photoelectron spectroscopy (XPS) is performed to systematically analyze the interfacial chemistry and energy band alignment between TiAlO and 4H-SiC. An interfacial layer composed of Ti, Si, O and C forms between TiAlO and 4H-SiC during PEALD process. The VBO and CBO between TiAlO and 4H-SiC are determined to be 1.45 eV and 1.10 eV, respectively, which offer competitive barrier heights (>1 eV) for both electrons and holes and make it suitable for the fabrication of 4H-SiC metal-oxide-semiconductor field effect transistors (MOSFETs).

  6. Moessbauer spectroscopic study on valence-detrapping and trapping of mixed-valence trinuclear iron (III, III, II) fluorine-substitute benzoate complexes

    International Nuclear Information System (INIS)

    Sakai, Y.; Onaka, S.; Ogiso, R.; Takayama, T.; Takahashi, M.; Nakamoto, T.

    2012-01-01

    Four mixed-valence trinuclear iron(III, III, II) fluorine-substituted benzoate complexes were synthesized; Fe 3 O(C 6 F 5 COO) 6 (C 5 H 5 N) 3 ·CH 2 Cl 2 (1), Fe 3 O(C 6 F 5 COO) 6 (C 5 H 5 N) 3 (2), Fe 3 O(2H-C 6 F 4 COO) 6 (C 5 H 5 N) 3 (3), and Fe 3 O(4H-C 6 F 4 COO) 6 (C 5 H 5 N) 3 (4). By means of 57 Fe-Moessbauer spectroscopy, valence-detrapping and trapping phenomena have been investigated for the four mixed-valence complexes. The valence state of three iron ions is trapped at lower temperatures while it is fully detrapped at higher temperatures for 1. Valence detrapping is not observed for 2, 3, and 4 even at room temperature, although Moessbauer spectra for 3 and 4 show a complicated temperature dependence. (author)

  7. Synchrotron radiation photoelectron spectroscopy study of dextran-coated Fe3O4 magnetic nanoparticles

    International Nuclear Information System (INIS)

    Li Shaoxia; Meng Qiang; Wang Bing; Feng Weiyue; Wang Zhuo; Kui Rexi; Qian Haijie; Wang Jia'o

    2009-01-01

    Dextran-coated Fe 3 O 4 nanoparticles were prepared by untrasonification of Fe 3 O 4 nanoparticles with dextran at 85 degree C in sodium citrate medium. The surface chemical component, structure and bond of uncoated and dextran-coated nanoparticles were measured by synchrotron radiation XPS(X-ray photoelectron spectroscopy). Qualitative and quantitative analysis of C1s and O1s of Fe 3 O 4 and dextran-Fe 3 O 4 showed that the Fe 3 O 4 nanoparticles were successively coated by sodium citrate via Fe-O-C bond, and dextrans, which can be linked with their carboxylate moiety via hydrogen bond. Sodium citrate could enhance the disperse stability of reaction system and hydrophilicity of dextran-Fe 3 O 4 . (authors)

  8. Characterization of the implantation damage in SiO2 with x-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Ajioka, T.; Ushio, S.

    1986-01-01

    X-ray photoelectron spectroscopy (XPS) has been applied to characterize the damage introduced into SiO 2 by ion implantation. By measuring the peak width of Si/sub 2p/ from SiO 2 which corresponds to perturbation of the SiO 2 network, good depth profiles of the damage have been obtained for implanted samples and subsequently annealed samples. The results show that the damage distributed more widely than that calculated from energy deposition and that the perturbation of the network is caused not only by radiation damage but also by the existence of impurities in the network. It has been found that the XPS method is effective to understand the atomic structure, and thus, electrical properties of SiO 2

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

    Science.gov (United States)

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

    2017-07-01

    Angle-resolved photoemission spectroscopy of liquid water was performed using extreme ultraviolet radiation at 29.5 eV and a time-of-flight photoelectron spectrometer. SiC/Mg coated mirrors were employed to select the single-order 19th harmonic from laser high harmonics, which provided a constant photon flux for different laser polarizations. The instrument was tested by measuring photoemission anisotropy for rare gases and water molecules and applied to a microjet of an aqueous NaI solution. The solute concentration was adjusted to eliminate an electric field gradient around the microjet. The observed photoelectron spectra were analyzed considering contributions from liquid water, water vapor, and an isotropic background. The anisotropy parameters of the valence bands (1 b 1 , 3 a 1 , and 1 b 2 ) of liquid water are considerably smaller than those of gaseous water, which is primarily attributed to electron scattering in liquid water.

  10. High resolution X-ray photoelectron spectroscopy of styrene oxide adsorption and reaction on Ag(1 1 1)

    Science.gov (United States)

    Piao, H.; Enever, M. C. N.; Adib, K.; Hrbek, J.; Barteau, M. A.

    2004-11-01

    Synchrotron-based X-ray photoelectron spectroscopy (XPS) has been used to investigate the adsorption and reaction of styrene oxide on Ag(1 1 1). When adsorption is carried out at 250 K or above, ring opening of styrene oxide forms a stable surface oxametallacycle intermediate which eventually reacts at 485 K to regenerate styrene oxide. High resolution XPS is capable of distinguishing the oxametallacycle from molecularly adsorbed and condensed styrene oxide on the basis of different C1s peak separations. The observed separations are well accounted for by the results of DFT calculations.

  11. Surface and bulk electronic structures of unintentionally and Mg-doped In0.7Ga0.3N epilayer by hard X-ray photoelectron spectroscopy

    Science.gov (United States)

    Imura, Masataka; Tsuda, Shunsuke; Takeda, Hiroyuki; Nagata, Takahiro; Banal, Ryan G.; Yoshikawa, Hideki; Yang, AnLi; Yamashita, Yoshiyuki; Kobayashi, Keisuke; Koide, Yasuo; Yamaguchi, Tomohiro; Kaneko, Masamitsu; Uematsu, Nao; Wang, Ke; Araki, Tsutomu; Nanishi, Yasushi

    2018-03-01

    The surface and bulk electronic structures of In0.7Ga0.3N epilayers are investigated by angle-resolved hard X-ray photoelectron spectroscopy (HX-PES) combined with soft X-PES. The unintentionally and Mg-doped In0.7Ga0.3N (u-In0.7Ga0.3N and In0.7Ga0.3N:Mg, respectively) epilayers are grown by radio-frequency plasma-assisted molecular beam epitaxy. Here three samples with different Mg concentrations ([Mg] = 0, 7 × 1019, and 4 × 1020 cm-3) are chosen for comparison. It is found that a large downward energy band bending exists in all samples due to the formation of a surface electron accumulation (SEA) layer. For u-In0.7Ga0.3N epilayer, band bending as large as 0.8 ± 0.05 eV occurs from bulk to surface. Judged from the valence band spectral edge and numerical analysis of energy band with a surface quantum well, the valence band maximum (VBM) with respect to Fermi energy (EF) level in the bulk is determined to be 1.22 ± 0.05 eV. In contrast, for In0.7Ga0.3N:Mg epilayers, the band bending increases and the VBM only in the bulk tends to shift toward the EF level owing to the Mg acceptor doping. Hence, the energy band is considered to exhibit a downward bending structure due to the coexistence of the n+ SEA layer and Mg-doped p layer formed in the bulk. When [Mg] changes from 7 × 1019 to 4 × 1020 cm-3, the peak split occurs in HX-PES spectra under the bulk sensitive condition. This result indicates that the energy band forms an anomalous downward bending structure with a singular point due to the generation of a thin depleted region at the n+ p interface. For In0.7Ga0.3N:Mg epilayers, the VBM in the bulk is assumed to be slightly lower than EF level within 0.1 eV.

  12. Research and industrial application of x-ray photoelectron spectroscopy (XPS) in Malaysia

    International Nuclear Information System (INIS)

    Mohd Ambar Yarmo; Abd Razak Daud; Abdul Kariem Arof

    2000-01-01

    As a developing country, Malaysia is fully committed to research and development especially for industrial development. One of priority fields is advanced materials and surface analysis of such materials is an important aspect in research. Among the tools for surface science analysis is x-ray photoelectron spectroscopy (XPS) which can be considered new to this country. The industrial sector is also keen to solve their problems and developing their products using XPS. The microelectronic and electrical industries are interested in solving problems related to metal-metal joining , gold silica peeling, surface corrosion and surface coating. The glove industry uses XPS to solve problems due to staining and color fading of their products. Research conducted in universities and research institutes that mainly deal with catalysis, membranes for fuel cells, sensors, batteries, corrosion phenomena and interface interaction in coating finds XPS a useful technique for surface studies. Specific examples from various sectors will be presented in this paper. (Author)

  13. Surface characterization of IM7/5260 composites by x-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Ohno, Satomi; Lee, Moon-Hwan; Lin, Kuen Y.; Ohuchi, Fumio S.

    2001-01-01

    Surfaces of high-performance carbon fiber/bismeleimide (BMI) composites (IM7/5260) have been characterized by x-ray photoelectron spectroscopy. An experimental technique to separately examine the chemical natures of the carbon fibers and BMI resin in the composite form was developed. This technique uses a flood gun to establish differential charging conditions on the BMI resin. The binding energies from the BMI resin were shifted by an amount of voltage applied to the flood gun, whereas those from the carbon fibers were uniquely determined due to their electrically conducting nature. By adding external bias voltage to the sample, the binding energies for conducting fibers were further shifted from those of the BMI resin, thereby separating the IM7 phase completely from the BMI phase in the binding energy scale, allowing independent measurement of the chemical changes associated with those peaks. Using this technique, the effects of thermal aging and surface plasma treatment on the IM7/5260 composite were studied

  14. X-ray photoelectron spectroscopy study of radiofrequency-sputtered refractory compound steel interfaces

    Science.gov (United States)

    Wheeler, D. R.; Brainard, W. A.

    1978-01-01

    Radiofrequency sputtering was used to deposit Mo2C, Mo2B5, and MoSi2 coatings on 440C steel substrates. Both sputter etched and preoxidized substrates were used, and the films were deposited with and without a substrate bias of -300 V. The composition of the coatings was measured as a function of depth by X-ray photoelectron spectroscopy combined with argon ion etching. In the interfacial region there was evidence that bias produced a graded interface in Mo2B5 but not in Mo2C. Oxides of iron and of all film constituents except carbon were presented in all cases but the iron oxide concentration was higher and the layer thicker on the preoxidized substrates. The film and iron oxides were mixed in the MoSi2 and Mo2C films but layered in the Mo2B5 film. The presence of mixed oxides correlates with enhanced film adhesion.

  15. Photodissociation and charge transfer dynamics of negative ions studied with femtosecond photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Zanni, Martin Thomas [Univ. of California, Berkeley, CA (United States)

    1999-12-01

    This dissertation presents studies aimed at understanding the potential energy surfaces and dynamics of isolated negative ions, and the effects of solvent on each. Although negative ions play important roles in atmospheric and solution phase chemistry, to a large extent the ground and excited state potential energy surfaces of gas phase negative ions are poorly characterized, and solvent effects even less well understood. In an effort to fill this gap, the author's coworkers and the author have developed a new technique, anion femtosecond photoelectron spectroscopy, and applied it to gas phase photodissociation and charge transfer processes. Studies are presented that (1) characterize the ground and excited states of isolated and clustered anions, (2) monitor the photodissociation dynamics of isolated and clustered anions, and (3) explore the charge-transfer-to-solvent states of atomic iodide clustered with polar and non-polar solvents.

  16. Photodissociation and charge transfer dynamics of negative ions studied with femtosecond photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Zanni, Martin T.

    1999-01-01

    This dissertation presents studies aimed at understanding the potential energy surfaces and dynamics of isolated negative ions, and the effects of solvent on each. Although negative ions play important roles in atmospheric and solution phase chemistry, to a large extent the ground and excited state potential energy surfaces of gas phase negative ions are poorly characterized, and solvent effects even less well understood. In an effort to fill this gap, the author's coworkers and the author have developed a new technique, anion femtosecond photoelectron spectroscopy, and applied it to gas phase photodissociation and charge transfer processes. Studies are presented that (1) characterize the ground and excited states of isolated and clustered anions, (2) monitor the photodissociation dynamics of isolated and clustered anions, and (3) explore the charge-transfer-to-solvent states of atomic iodide clustered with polar and non-polar solvents

  17. The influence of temperature and X-ray dose on the deprotonation of lyophilized phenylalanine during X-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Cardenas, Juan F. [Department of Chemistry, P.O. Box 1033, Blindern, N-0315 Oslo (Norway)]. E-mail: juan.cardenas@kjemi.uio.no; Groebner, Gerhard [Biophysical Chemistry, Umea University, 90187 Umea (Sweden)

    2006-06-15

    Lyophilized phenylalanine (LP) samples were prepared from aqueous solutions at pH {approx} 1.3 and subsequently analysed using X-ray photoelectron spectroscopy (XPS) in combination with cryogenics. When samples are measured at temperatures above {approx}0 deg. C deprotonation occurs, which gradually proceeds with X-ray bombardment. In addition, deprotonation scales linearly with the difference between the Cl and the Na concentration, which strongly suggests that HCl sublimates from the sample.

  18. Transient photoelectron spectroscopy of the dissociative Br2(1Piu) state.

    Science.gov (United States)

    Strasser, Daniel; Goulay, Fabien; Leone, Stephen R

    2007-11-14

    Photodissociation of bromine on the Br2(1Piu) state is probed with ultrafast extreme ultraviolet (53.7 nm) single-photon ionization. Time-resolved photoelectron spectra show simultaneously the depletion of ground state bromine molecules as well as the rise of Br(2P3/2) products due to 402.5 nm photolysis. A partial photoionization cross-section ratio of atomic versus molecular bromine is obtained. Transient photoelectron spectra of a dissociative wave packet on the excited state are presented in the limit of low-power-density, single-photon excitation to the dissociative state. Transient binding energy shifts of "atomic-like" photoelectron peaks are observed and interpreted as photoionization of nearly separated Br atom pairs on the Br2(1Piu) state to repulsive dissociative ionization states.

  19. In Situ X-Ray Photoelectron Spectroscopy of Model Catalysts: At the Edge of the Gap

    Science.gov (United States)

    Blomberg, S.; Hoffmann, M. J.; Gustafson, J.; Martin, N. M.; Fernandes, V. R.; Borg, A.; Liu, Z.; Chang, R.; Matera, S.; Reuter, K.; Lundgren, E.

    2013-03-01

    We present high-pressure x-ray photoelectron spectroscopy (HP-XPS) and first-principles kinetic Monte Carlo study addressing the nature of the active surface in CO oxidation over Pd(100). Simultaneously measuring the chemical composition at the surface and in the near-surface gas phase, we reveal both O-covered pristine Pd(100) and a surface oxide as stable, highly active phases in the near-ambient regime accessible to HP-XPS. Surprisingly, no adsorbed CO can be detected during high CO2 production rates, which can be explained by a combination of a remarkably short residence time of the CO molecule on the surface and mass-transfer limitations in the present setup.

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

    CERN Document Server

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

    2003-01-01

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

  1. Electronic structures of azafullerene C48N12

    International Nuclear Information System (INIS)

    Brena, Barbara; Luo Yi

    2003-01-01

    Two recently proposed low-energy azafullerene C 48 N 12 isomers have been theoretically characterized using x-ray spectroscopies. The x-ray photoelectron spectroscopy, the near-edge absorption fine structure, the x-ray emission spectroscopy, and the ultraviolet photoelectron spectroscopy for both isomers have been predicted at the gradient-corrected density functional theory level. These spectroscopies together give a comprehensive insight of the electronic structure on the core, valence, and unoccupied orbitals. They have also provided a convincing way for identifying the isomer structures

  2. Energy-momentum structure of the krypton valence shell by electron-momentum spectroscopy

    International Nuclear Information System (INIS)

    Nicholson, R.; Braidwood, S.W.; McCathy, I.E.; Weigold, E.; Brunger, M.J.

    1996-03-01

    Momentum distributions and spectroscopic factors are obtained in a high resolution electron-momentum spectroscopy study of krypton at 1000 eV. The shapes and relative magnitudes of the momentum profiles are in good agreement with the results of calculations made within the distorted-wave impulse approximation (DWIA) framework. The DWIA describes the relative magnitudes of the 4p and 4s manifolds as well as giving a good representation of the shapes of the respective 4p and 4s cross sections. Results for the momentum profiles belonging to excited 2 P o and 2 S e manifolds are also presented. Spectroscopic factors for transitions belonging to the 2 p o and 2 S e manifolds are assigned up to a binding energy of 42 eV. The spectroscopic factor for the lowest 4s transition is 0.51 ± 0.01, whereas that for the ground-state 4p transition is 0.98± 0.01. Comparisons of the present binding energies and spectroscopic factors are made against the results of several many-body calculations and photoelectron spectroscopy (PES) results. In addition, a new procedure is outlined, utilising the experimental 4p and 4s manifold cross sections, that provides information on possible initial state configuration interaction effects in krypton. 50 refs., 2 tabs., 10 figs

  3. Valence-band discontinuities of wurtzite GaN, AlN, and InN heterojunctions measured by x-ray photoemission spectroscopy

    International Nuclear Information System (INIS)

    Martin, G.; Botchkarev, A.; Rockett, A.; Morkoc, H.

    1996-01-01

    The valence-band discontinuities at various wurtzite GaN, AlN, and InN heterojunctions were measured by means of x-ray photoemission spectroscopy. A significant forward endash backward asymmetry was observed in the InN/GaN endash GaN/InN and InN/AlN endash AlN/InN heterojunctions. The asymmetry was understood as a piezoelectric strain effect. We report the valence band discontinuities for InN/GaN=1.05±0.25 eV, GaN/AlN=0.70±0.24 eV, and InN/AlN=1.81±0.20 eV, all in the standard type I lineup. These values obey transitivity to within the experimental accuracy. Tables of photoemission core level binding energies are reported for wurtzite GaN, AlN, and InN. copyright 1996 American Institute of Physics

  4. Application of high-resolution photoelectron spectroscopy: Vibrational resolved C 1s and O 1s spectra of CO adsorbed on Ni(100)

    Energy Technology Data Exchange (ETDEWEB)

    Foehlisch, A.; Nilsson, A.; Martensson, N. [Uppsala Univ. (Sweden)] [and others

    1997-04-01

    There are various effects which determine the line shape of a core-level electron spectrum. These are due to the finite life-time of the core hole, inelastic scattering of the outgoing photoelectron, electronic shake-up and shake-off processes and vibrational excitations. For free atoms and molecules the different contributions to the observed line shapes can often be well separated. For solids, surfaces and adsorbates the line shapes are in general much broader and it has in the past been assumed that no separation of the various contributions can be made. In the present report the authors will show that this is indeed not the case. Surprisingly, the vibrational fine structure of CO adsorbed on Ni(100) can be resolved in the C 1s and O 1s electron spectra. This was achieved by the combination of highly monochromatized soft X-rays from B18.0 with a high resolution Scienta 200 mm photoelectron spectrometer. X-ray photoelectron spectroscopy (XPS) with tunable excitation energy yields as a core level spectroscopy atomic and site-specific information. The presented measurements allow for a determination of internuclear distances and potential energy curves in corehole ionized adsorbed molecules. The authors analysis of the c(2x2) phase CO/Ni(100) on {open_quotes}top{close_quotes} yielded a vibrational splitting of 217 +/- 2 meV for C 1s ionization. For O 1s ionization a splitting of 173 +/- 8 meV was found.

  5. Photoelectronic characterization of heterointerfaces.

    Energy Technology Data Exchange (ETDEWEB)

    Brumbach, Michael Todd

    2012-02-01

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

  6. A combined photoelectron spectroscopy and relativistic ab initio studies of the electronic structures of UFO and UFO-

    Science.gov (United States)

    Roy, Soumendra K.; Jian, Tian; Lopez, Gary V.; Li, Wei-Li; Su, Jing; Bross, David H.; Peterson, Kirk A.; Wang, Lai-Sheng; Li, Jun

    2016-02-01

    The observation of the gaseous UFO- anion is reported, which is investigated using photoelectron spectroscopy and relativisitic ab initio calculations. Two strong photoelectron bands are observed at low binding energies due to electron detachment from the U-7sσ orbital. Numerous weak detachment bands are also observed due to the strongly correlated U-5f electrons. The electron affinity of UFO is measured to be 1.27(3) eV. High-level relativistic quantum chemical calculations have been carried out on the ground state and many low-lying excited states of UFO to help interpret the photoelectron spectra and understand the electronic structure of UFO. The ground state of UFO- is linear with an O-U-F structure and a 3H4 spectral term derived from a U 7sσ25fφ15fδ1 electron configuration, whereas the ground state of neutral UFO has a 4H7/2 spectral term with a U 7sσ15fφ15fδ1 electron configuration. Strong electron correlation effects are found in both the anionic and neutral electronic configurations. In the UFO neutral, a high density of electronic states with strong configuration mixing is observed in most of the scalar relativistic and spin-orbit coupled states. The strong electron correlation, state mixing, and spin-orbit coupling of the electronic states make the excited states of UFO very challenging for accurate quantum chemical calculations.

  7. A combined photoelectron spectroscopy and relativistic ab initio studies of the electronic structures of UFO and UFO(-).

    Science.gov (United States)

    Roy, Soumendra K; Jian, Tian; Lopez, Gary V; Li, Wei-Li; Su, Jing; Bross, David H; Peterson, Kirk A; Wang, Lai-Sheng; Li, Jun

    2016-02-28

    The observation of the gaseous UFO(-) anion is reported, which is investigated using photoelectron spectroscopy and relativisitic ab initio calculations. Two strong photoelectron bands are observed at low binding energies due to electron detachment from the U-7sσ orbital. Numerous weak detachment bands are also observed due to the strongly correlated U-5f electrons. The electron affinity of UFO is measured to be 1.27(3) eV. High-level relativistic quantum chemical calculations have been carried out on the ground state and many low-lying excited states of UFO to help interpret the photoelectron spectra and understand the electronic structure of UFO. The ground state of UFO(-) is linear with an O-U-F structure and a (3)H4 spectral term derived from a U 7sσ(2)5fφ(1)5fδ(1) electron configuration, whereas the ground state of neutral UFO has a (4)H(7/2) spectral term with a U 7sσ(1)5fφ(1)5fδ(1) electron configuration. Strong electron correlation effects are found in both the anionic and neutral electronic configurations. In the UFO neutral, a high density of electronic states with strong configuration mixing is observed in most of the scalar relativistic and spin-orbit coupled states. The strong electron correlation, state mixing, and spin-orbit coupling of the electronic states make the excited states of UFO very challenging for accurate quantum chemical calculations.

  8. Photoelectron Emission Studies in CsBr at 257 nm

    International Nuclear Information System (INIS)

    Maldonado, Juan R.; Liu, Zhi; Sun, Yun; Pianetta, Piero A.; Pease, Fabian W.

    2006-01-01

    CsBr/Cr photocathodes were found [1,2] to meet the requirements of a multi-electron beam lithography system operating with a light energy of 4.8 eV (257nm). The fact that photoemission was observed with a light energy below the reported 7.3 eV band gap for CsBr was not understood. This paper presents experimental results on the presence of intra-band gap absorption sites (IBAS) in CsBr thin film photo electron emitters, and presents a model based on IBAS to explain the observed photoelectron emission behavior at energies below band gap. A fluorescence band centered at 330 nm with a FWHM of about 0.34 eV was observed in CsBr/Cr samples under 257 nm laser illumination which can be attributed to IBAS and agrees well with previously obtained synchrotron photoelectron spectra[1] from the valence band of CsBr films

  9. Synchrotron radiation photoelectron spectroscopy studies of self-organization in As.sub.40./sub.Se.sub.60./sub. nanolayers stored under ambient conditions and after laser irradiation

    Czech Academy of Sciences Publication Activity Database

    Kondrat, O.; Popovich, N.; Holomb, R.; Mitsa, V.; Lyamayev, V.; Tsud, N.; Cháb, Vladimír; Matolín, V.; Prince, K. C.

    2012-01-01

    Roč. 358, č. 21 (2012), s. 2910-2916 ISSN 0022-3093 Institutional support: RVO:68378271 Keywords : chalcogenide glass * photostructural changes * photoelectron spectroscopy Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.597, year: 2012

  10. On the initial corrosion mechanism of zirconium alloy: Interaction of oxygen and water with Zircaloy at room temperature and 450 C evaluated by x-ray absorption spectroscopy and photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Doebler, U.; Knop, A.

    1994-01-01

    The initial stages of zirconium oxide formation on Zircaloy after water (H 2 O) and oxygen (O 2 ) exposures have been investigated in situ using photoelectron spectroscopy and X-ray-absorption spectroscopy. The reactivity of the zirconium alloy with O 2 at room temperature is about 1,000 times higher than for H 2 O. Up to 100 L (1 L = 1 Langmuir unit = 1 · 10 -6 mbar · s) H 2 O exposure, the reactivity of the zirconium alloy at 450 C is comparable to the room temperature reaction. At higher H 2 O exposure, a sharp increase in the reaction rate for the high-temperature oxidation is observed. From the energy position of the Zr 3d photo emission line and their oxygen-induced chemical shifts, one can really follow the formation of the oxide films. Two different substoichiometric oxides were found during reaction with water. Suboxide (1) is located at the zirconium/zirconium-oxide interface. Subsequently, a Suboxide (2) is concluded from the chemical shift of the zirconium photoelectrons. After an oxide thickness of 2 nm, the stoichiometric ZrO 2 phase is not yet developed

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

    Directory of Open Access Journals (Sweden)

    Junichi Nishitani

    2017-07-01

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

  12. Yb valence state in Yb{sub 5}Rh{sub 4}Ge{sub 10}

    Energy Technology Data Exchange (ETDEWEB)

    Sato, Hitoshi; Arita, Masashi; Shimada, Kenya; Namatame, Hirofumi; Taniguchi, Masaki [Hiroshima Synchrotron Radiation Center, Hiroshima University, Higashi-Hiroshima (Japan); Utsumi, Yuki [Synchrotron SOLEIL, L' Orme des Merisiers, Gif-sur-Yvette (France); Katoh, Kenichi [Department of Applied Physics, National Defense Academy, Yokosuka (Japan); Mimura, Kojiro [Graduate School of Engineering, Osaka Prefecture University, Sakai (Japan); Ueda, Shigenori [Synchrotron X-ray Station at SPring-8, National Institute for Materials Science, Hyogo (Japan); Quantum Beam Unit, National Institute for Materials Science, Tsukuba (Japan); Yamaoka, Hitoshi [RIKEN SPring-8 Center, Hyogo (Japan); Rousuli, Awabaikeli [Graduate School of Science, Hiroshima University, Higashi-Hiroshima (Japan); Umeo, Kazunori [NBARD, Hiroshima University, Higashi-Hiroshima (Japan)

    2017-06-15

    Temperature- and pressure-dependent Yb valence state in Yb{sub 5}Rh{sub 4}Ge{sub 10} has been investigated by means of Yb 3d hard X-ray photoemission spectroscopy (HAXPES) and Yb L{sub 3} absorption spectroscopy (XAS). The mean Yb valence derived from the Yb 3d HAXPES is estimated to be ∝2.78 at 300 K and decreases to ∝2.74 at 20 K. On the other hand, the Yb valence deduced from the Yb L{sub 3} XAS at 300 K is almost constant with ∝2.81 in the pressure range between 9.2 and 34.7 GPa. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  13. Electronic-structure studies of metal-hydrogen systems using photoelectron spectroscopy (PES) radiation. Final report, 1 March 1980-31 August 1982

    International Nuclear Information System (INIS)

    Weaver, J.H.

    1982-09-01

    Photoelectron spectroscopy studies of hydrogen-bearing metals and alloys have provided fundamental information concerning the electronic interactions of hydrides. Studies of surface oxidation of several hydrogen storage materials (the LaNi 5 -family) evaluated the role of surface oxidation on hydrogen uptake. Collaborative band theory studies were undertaken to support experimental studies of the metal-semiconductor transition in LaH 2 -LaH 3 and of the refractory metal mono- and submonohydrides

  14. X-ray photoelectron spectroscopy and Auger electron spectroscopy studies on the passivation behavior of plasma-nitrided low alloy steel in nitric acid

    Energy Technology Data Exchange (ETDEWEB)

    Chyou, S.D.; Shih, H.C. (Dept. of Materials Science and Engineering, National Tsing Hua Univ., Hsinchu (Taiwan))

    1991-12-14

    Nitrided SAE 4140 steel has been passivated by concentrated nitric acid. The resulting film was characterized using a combination of surface-analytical techniques, such as X-ray photoelectron spectroscopy (XPS) to evaluate the chemical composition of the passive film. Auger electron spectroscopy (AES) combined with ion etching was used to determine the composition depth profiles of nitrided surface. It was found that preferential dissolution of iron leads to enhanced nitrogen and chromium concentrations within the oxynitrided layer. A dense protective oxynitrided layer was found to be formed on the nitrided surface when the concentration of nitric acid was as high as 8 M. The results of X-ray diffraction, XPS and AES analyses conclude that the protective nitride layer is composed of (Fe,Cr){sub 4}N, (Fe,Cr){sub 2-3}N and CrN in the inner layer, Fe{sub 2}O{sub 3}, Cr{sub 2}O{sub 3} and remnant nitrides in the middle layer and nitrides accompanying Cr(OH){sub 3}.H{sub 2}O and {gamma}'-FeOOH in the outermost layer. (orig.).

  15. Quadruple metal-metal bonds with strong donor ligands. Ultraviolet photoelectron spectroscopy of M{sub 2}(form){sub 4} (M = Cr, Mo, W; form = N,N{prime}-diphenylformamidinate)

    Energy Technology Data Exchange (ETDEWEB)

    Lichtenberger, D.L.; Lynn, M.A.; Chisholm, M.H.

    1999-12-29

    The He I photoelectron spectra of M{sub 2}(form){sub 4}(M = Cr, Mo, W; form - N,N{prime}-diphenylformamidinate) and Mo{sub 2}(cyform){sub 4} (cyform = N,N{prime}-dicyclohexylformamidinate) are presented. For comparison, the Ne I, He I, and He II photoelectron spectra of Mo{sub 2}(p-CH{sub 3}-form){sub 4} have also been obtained. The valence ionization features of these molecules are interpreted based on (1) the changes that occur with the metal and ligand substitutions, (2) the changes in photoelectron cross sections with excitation source, and (3) the changes from previously studied dimetal complexes. These photoelectron spectra are useful for revealing the effects that better electron donor ligands have on the valence electronic structure of M{sub 2}(L-L){sub 4} systems. Comparison with the He I spectra of the isoelectronic M{sub 2}(O{sub 2}CCH{sub 3}){sub 4} compounds is particularly revealing. Unlike with the more electron-withdrawing acetate ligand, several formamidinate-based ionizations derived from the nitrogen p{sub {pi}} orbitals occur among the metal-metal {sigma}, {pi}, and {delta} ionization bands. Although these formamidinate-based levels are close in energy to the occupied metal-metal bonds, they have little direct mixing interaction with them. The shift of the metal-metal bond ionizations to lower ionization energies for the formamidinate systems is primarily a consequence of the lower electronegativity of the ligand and the better {pi} donation into empty metal levels. The metal-metal {delta} orbital experiences some additional net bonding interaction with ligand orbitals of the same symmetry. Also, an additional bonding interaction from ligand-to-metal electron donation to the {delta}* orbital is identified. These spectra suggest a greater degree of metal-ligand covalency than in the related M{sub 2}(O{sub 2}CCH{sub 3}){sub 4} systems. Fenske-Hall molecular orbital and density functional (ADF) calculations agree with the assignment and

  16. In situ SERS and X-ray photoelectron spectroscopy studies on the pH-dependant adsorption of anthraquinone-2-carboxylic acid on silver electrode

    Energy Technology Data Exchange (ETDEWEB)

    Li, Dan, E-mail: dany@sit.edu.cn [School of Chemical and Environmental Engineering, Shanghai Institute of Technology, 100 Haiquan Road, Shanghai 201418 (China); Jia, Shaojie [School of Chemical and Environmental Engineering, Shanghai Institute of Technology, 100 Haiquan Road, Shanghai 201418 (China); Fodjo, Essy Kouadio [Laboratory of Physical Chemistry, University Felix Houphouet Boigny, 22 BP 582, Abidjan 22, Cote d’Ivoire (Cote d' Ivoire); Xu, Hu [School of Chemical and Environmental Engineering, Shanghai Institute of Technology, 100 Haiquan Road, Shanghai 201418 (China); Wang, Yuhong, E-mail: yuhong_wang502@sit.edu.cn [School of Chemical and Environmental Engineering, Shanghai Institute of Technology, 100 Haiquan Road, Shanghai 201418 (China); Deng, Wei [School of Chemical and Environmental Engineering, Shanghai Institute of Technology, 100 Haiquan Road, Shanghai 201418 (China)

    2016-03-30

    Graphical abstract: The orientation of anthraquinone-2-carboxylic acid (AQ-2-COOH) has been investigated by in situ surface-enhanced Raman scattering (in situ SERS) spectroelectrochemistry and angle-resolved X-ray photoelectron spectroscopy (AR-XPS) on silver surface. - Highlights: • The adsorption behavior of anthraquinone-2-carboxylic acid (AQ-2-COOH) on Ag electrode is influenced by the pH. • The pH-dependant adsorption of AQ-2-COOH has been confirmed by in situ surface-enhanced Raman scattering (in situ SERS) spectroelectrochemistry and angle-resolved X-ray photoelectron spectroscopy (AR-XPS). • The results can provide insights into electron transfer reactions of AQ-2-COOH in biological systems. - Abstract: In this study, in situ surface-enhanced Raman scattering (SERS) spectroelectrochemistry and angle-resolved X-ray photoelectron spectroscopy (AR-XPS) are used to investigate the redox reaction and adsorption behavior of anthraquinone-2-carboxylic acid (AQ-2-COOH) on an Ag electrode at different pH values. The obtained results indicate that AQ-2-COOH is adsorbed tilted on the Ag electrode through O-atom of ring carbonyl in a potential range from −0.3 to −0.5 V vs. SCE, but the orientation turns to more tilted orientation with both O-atom of the ring carbonyl and carboxylate group in positive potential region for pH 6.0 and 7.4. However, at pH 10.0, the orientation adopts tilted conformation constantly on the Ag electrode with both O-atom of the anthraquinone ring and carboxylate group in the potential range from −0.3 to −0.5 V vs. SCE or at positive potentials. Moreover, the adsorption behavior of AQ-2-COOH has been further confirmed by AR-XPS on the Ag surface. Proposed reasons for the observed changes in orientation are presented.

  17. The surface of 1-euro coins studied by X-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Gou, F.; Gleeson, M.A.; Villette, J.; Kleyn, S.E.F.; Kleyn, A.W.

    2004-01-01

    The two alloy surfaces (pill and ring) that are present on 1-euro coins have been studied by X-ray photoelectron spectroscopy (XPS). Comparison is made between coins from general circulation and coin surfaces that have been subjected to a variety of cleaning and oxidation treatments. The concentrations and possible oxidation states of the metals (nickel, copper and zinc) at the surface were derived from analysis of the 2p 3/2 core levels. The surface atomic ratios measured for the pill and the ring parts of the euro coins were compared to the official bulk ratios. This study shows a clear nickel enrichment of both pill and ring surfaces. Nickel at surface seems to be present mainly in hydroxide form although the chloride form cannot be excluded. A small concentration of zinc was present on the surface of the pill, even though it is not present in the bulk alloy. Evidence of both nickel and zinc surface enrichment is observed for the ring. No surface enrichment is observed for the atomically clean or oxidized alloy surfaces over a 60-h time scale

  18. Magnetometry of buried layers—Linear magnetic dichroism and spin detection in angular resolved hard X-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Gloskovskii, Andrei; Stryganyuk, Gregory; Fecher, Gerhard H.; Felser, Claudia; Thiess, Sebastian; Schulz-Ritter, Heiko; Drube, Wolfgang; Berner, Götz; Sing, Michael; Claessen, Ralph; Yamamoto, Masafumi

    2012-01-01

    Highlights: ► Newly commissioned HAXPES instrument at P09 beamline of the PETRA III ring at DESY. ► We report HAXPES studies on buried magnetic nanolayers in a multi-layer sample. ► Linear magnetic dichroism of photoelectrons from buried CoFe–Ir 78 Mn 22 layers. ► Spin-resolved HAXPES measurements on buried magnetic multilayers using Mott detector. - Abstract: The electronic properties of buried magnetic nano-layers were studied using the linear magnetic dichroism in the angular distribution of photoemitted Fe, Co, and Mn 2p electrons from a CoFe–Ir 78 Mn 22 multi-layered sample. The buried layers were probed using hard X-ray photoelectron spectroscopy, HAXPES, at the undulator beamline P09 of the 3rd generation storage ring PETRA III. The results demonstrate that this magnetometry technique can be used as a sensitive element specific probe for magnetic properties suitable for application to buried ferromagnetic and antiferromagnetic magnetic materials and multilayered spintronics devices. Using the same instrument, spin-resolved Fe 2p HAXPES spectra were obtained from the buried layer with good signal quality.

  19. Influence of LaSiOx passivation interlayer on band alignment between PEALD-Al2O3 and 4H-SiC determined by X-ray photoelectron spectroscopy

    Science.gov (United States)

    Wang, Qian; Cheng, Xinhong; Zheng, Li; Shen, Lingyan; Zhang, Dongliang; Gu, Ziyue; Qian, Ru; Cao, Duo; Yu, Yuehui

    2018-01-01

    The influence of lanthanum silicate (LaSiOx) passivation interlayer on the band alignment between plasma enhanced atomic layer deposition (PEALD)-Al2O3 films and 4H-SiC was investigated by high resolution X-ray photoelectron spectroscopy (XPS). An ultrathin in situ LaSiOx interfacial passivation layer (IPL) was introduced between the Al2O3 gate dielectric and the 4H-SiC substrate to enhance the interfacial characteristics. The valence band offset (VBO) and corresponding conduction band offset (CBO) for the Al2O3/4H-SiC interface without any passivation were extracted to be 2.16 eV and 1.49 eV, respectively. With a LaSiOx IPL, a VBO of 1.79 eV and a CBO of 1.86 eV could be obtained across the Al2O3/4H-SiC interface. The difference in the band alignments was dominated by the band bending or band shift in the 4H-SiC substrate as a result of different interfacial layers (ILs) formed at the interface. This understanding of the physical details of the band alignment could be a good foundation for Al2O3/LaSiOx/4H-SiC heterojunctions applied in the 4H-SiC metal-oxide-semiconductor field effect transistors (MOSFETs).

  20. Band alignment and interfacial chemical structure of the HfLaO/InGaZnO4 heterojunction investigated by x-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Qian, Ling-Xuan; Wu, Ze-Han; Zhang, Yi-Yu; Liu, Xing-Zhao; Li, Yan-Rong; Liu, Yuan; Song, Jia-Qi

    2017-01-01

    Amorphous InGaZnO 4 thin film transistors (a-IGZO TFTs) with HfLaO gate dielectrics have been widely demonstrated to possess extremely excellent electrical characteristics, and thus show great potential for applications in various next-generation electronic products. Nevertheless, the in-depth understanding of HfLaO/IGZO interfacial features is still lacking, which makes further device optimization lack clear guidance. In this work, the band alignment and interfacial chemical structure of a sputtering-prepared HfLaO/IGZO heterojunction was investigated through x-ray photoelectron spectroscopy. The valence and conduction band offsets (Δ E v and Δ E c ) at the interface were determined to be 0.57 eV and 1.48 eV, respectively. The relatively large Δ E v is mainly attributed to the formation of the interfacial layer (IL) and thus the upward band bending from IGZO to the surface of HfLaO. Furthermore, it was found that the oxygen vacancies on the surface of IGZO were significantly suppressed upon the deposition of HfLaO, which not only explained the previously reported ultrahigh performance of a-IGZO/HfLaO TFTs to some extent, but also additionally validated the formation of the IL. Our findings have successfully revealed the importance of ILs in modifying the band alignment and interfacial trap states of HfLaO/IGZO heterojunctions, thus suggesting a potential route to further optimizing a-IGZO/HfLaO TFTs so as to satisfy the requirements of next-generation technologies. (paper)

  1. X-ray photoelectron spectroscopy of rice husk surface modified with maleated polypropylene and silane

    International Nuclear Information System (INIS)

    Park, B.-D.; Wi, Seung Gon; Lee, Kwang Ho; Singh, A.P.; Yoon, Tae-Ho; Kim, Y.S.

    2004-01-01

    Rice husks were subjected to dry-grinding and steam-explosion to reduce their sizes. Subsequently, the surface of rice husk particles was modified using two different coupling agents, maleated polypropylene (MAPP) and γ-aminopropyltriethoxysilane (γ-APS, A-1100) to induce chemical reactions between the husk surface and the coupling agents used. The modified surface properties of rice husk were examined using X-ray photoelectron spectroscopy and FT-IR spectroscopy. Dry grinding, a simple method of fracturing husk, provided particulate segments, while steam explosion separated husk into fibrous components. When treated with MAPP, the O/C ratio of the husk surface decreased for both dry ground and steam-exploded husk. The γ-APS treatment resulted in an increase in the Si/O ratio for dry ground husk surface while this ratio decreased for steam-exploded husk particles. These results indicated that both coupling agents might be linked to the husk surface through chemical reactions. FT-IR results also supported the occurrence of ester and ether bonds after treatment of husks with MAPP and γ-APS. The present work suggested that the method of preparing rice husk particles had a great impact on their surface properties, and would therefore affect the interfacial adhesion in rice husk-thermoplastic composites

  2. UV lamp for photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Cardoso, M.J.B.; Landers, R.; Sundaram, V.S.

    1983-01-01

    An UV lamp and a differential pumping system which enables to couple the lamp to an ultra-high vacuum chamber (10 -9 torr) without using windows, are described. The differential between the pressure inside the discharge chamber and the one in de UHV region, which is of 10 8 -10 9 , is achieved with two pumping states separated by pyrex capillaries having an internal diameter of 0.6 mm. In the first stage, a mechanical pump (10 -3 torr) is used; in the second stage, a diffusor pump with a cryogenic trap (N 2 liq - 10 -7 torr) is employed. The lamp produces, when used with high purity He, narrow lines almost clear at 21.2 eV and 40.8 eV, depending on the discharge chamber pressure, thus eliminating the need of a monochromator. As a high voltage source (3 KV), a commercial unit with a good current control was used, ensuring UV beam stability - an essential characteristic for this lamp if it is employed for photoelectron excitation of crystalline samples. (C.L.B.) [pt

  3. Electronic structure and optical properties of Cs2HgCl4: DFT calculations and X-ray photoelectron spectroscopy measurements

    Science.gov (United States)

    Lavrentyev, A. A.; Gabrelian, B. V.; Vu, V. T.; Parasyuk, O. V.; Fedorchuk, A. O.; Khyzhun, O. Y.

    2016-10-01

    A high-quality single crystal of cesium mercury tetrabromide, Cs2HgCl4, was synthesized by using the vertical Bridgman-Stockbarger method and its electronic structure was studied from both experimental and theoretical viewpoints. In particular, X-ray photoelectron spectra were measured for both pristine and Ar+ ion-bombarded Cs2HgCl4 single crystal surfaces. The present XPS measurements indicate that the Cs2HgCl4 single crystal surface is sensitive with respect to Ar+ ion-bombardment: such a treatment changes substantially its elemental stoichiometry. With the aim of exploring total and partial densities of states within the valence band and conduction band regions of the Cs2HgCl4 compound, band-structure calculations based on density functional theory (DFT) using the augmented plane wave + local orbitals (APW + lo) method as incorporated within the WIEN2k package are performed. The calculations indicate that the Cl 3p states are the principal contributors in the upper portion of the valence band, while the Hg 5d and Cs 5p states dominate in its lower portion. In addition, the calculations allow for concluding that the unoccupied Cl p and Hg s states are the main contributors to the bottom of the conduction band. Furthermore, main optical characteristics of Cs2HgCl4, namely dispersion of the absorption coefficient, real and imaginary parts of dielectric function, electron energy-loss spectrum, refractive index, extinction coefficient and optical reflectivity, are elucidated based on the DFT calculations.

  4. A facility for the analysis of the electronic structures of solids and their surfaces by synchrotron radiation photoelectron spectroscopy

    Science.gov (United States)

    Hoesch, M.; Kim, T. K.; Dudin, P.; Wang, H.; Scott, S.; Harris, P.; Patel, S.; Matthews, M.; Hawkins, D.; Alcock, S. G.; Richter, T.; Mudd, J. J.; Basham, M.; Pratt, L.; Leicester, P.; Longhi, E. C.; Tamai, A.; Baumberger, F.

    2017-01-01

    A synchrotron radiation beamline in the photon energy range of 18-240 eV and an electron spectroscopy end station have been constructed at the 3 GeV Diamond Light Source storage ring. The instrument features a variable polarisation undulator, a high resolution monochromator, a re-focussing system to form a beam spot of 50 × 50 μm2, and an end station for angle-resolved photoelectron spectroscopy (ARPES) including a 6-degrees-of-freedom cryogenic sample manipulator. The beamline design and its performance allow for a highly productive and precise use of the ARPES technique at an energy resolution of 10-15 meV for fast k-space mapping studies with a photon flux up to 2 ṡ 1013 ph/s and well below 3 meV for high resolution spectra.

  5. Multivariate statistical analysis for x-ray photoelectron spectroscopy spectral imaging: Effect of image acquisition time

    International Nuclear Information System (INIS)

    Peebles, D.E.; Ohlhausen, J.A.; Kotula, P.G.; Hutton, S.; Blomfield, C.

    2004-01-01

    The acquisition of spectral images for x-ray photoelectron spectroscopy (XPS) is a relatively new approach, although it has been used with other analytical spectroscopy tools for some time. This technique provides full spectral information at every pixel of an image, in order to provide a complete chemical mapping of the imaged surface area. Multivariate statistical analysis techniques applied to the spectral image data allow the determination of chemical component species, and their distribution and concentrations, with minimal data acquisition and processing times. Some of these statistical techniques have proven to be very robust and efficient methods for deriving physically realistic chemical components without input by the user other than the spectral matrix itself. The benefits of multivariate analysis of the spectral image data include significantly improved signal to noise, improved image contrast and intensity uniformity, and improved spatial resolution - which are achieved due to the effective statistical aggregation of the large number of often noisy data points in the image. This work demonstrates the improvements in chemical component determination and contrast, signal-to-noise level, and spatial resolution that can be obtained by the application of multivariate statistical analysis to XPS spectral images

  6. Interpretation of intensities in electron-momentum and photoelectron spectroscopies

    International Nuclear Information System (INIS)

    McCarthy, I.E.

    1984-06-01

    Relative intensities for the photoelectron reaction on atoms and molecules are not related to structure calculations in the same way as those for the noncoplanar symmetric (e,2e) reaction. The photoelectron dipole matrix element is dependent on recoil momentum only through its unique relationship to the photon energy and is much harder to calculate for chemically-interesting momenta. Relative intensities for binary (e,2e) reactions are independent of total energy at high enough energies and strongly dependent on symmetry and recoil momentum, for which an intensity profile can be measured for values starting at zero. In comparing with structure calculations, binary (e,2e) intensities for low recoil momentum may be compared directly with pole strengths in calculations of the one-electron Green's function or corresponding configuration-interaction calculations. In the case of states within a single symmetry manifold the relative intensities will be independent of recoil momentum up to some maximum, usually at least a few atomic units

  7. Many-electron effects in photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Martin, R.L.

    1976-06-01

    The deviations from Koopmans' one-electron model of photoionization which lead to satellite structure in the photoelectron spectrum are examined within the formalism of configuration interaction (CI). The mechanisms which contribute to satellite intensity may be classified as continuum state configuration interaction, final ionic state configuration interaction, and initial state configuration interaction. The discussion centers around the last two mechanisms, these being the prime contributors to the satellite intensity well above threshold. Specific examples of theoretical ''spectra'' are presented for the F(1s) region of HF and the 1s region of neon. The agreement between theory and experiment is found to be excellent. In these two instances, initial state configuration interaction contributions increase the satellite intensity and are of nearly equal importance to the final ionic state mixing

  8. Auger electron emission initiated by the creation of valence-band holes in graphene by positron annihilation.

    Science.gov (United States)

    Chirayath, V A; Callewaert, V; Fairchild, A J; Chrysler, M D; Gladen, R W; Mcdonald, A D; Imam, S K; Shastry, K; Koymen, A R; Saniz, R; Barbiellini, B; Rajeshwar, K; Partoens, B; Weiss, A H

    2017-07-13

    Auger processes involving the filling of holes in the valence band are thought to make important contributions to the low-energy photoelectron and secondary electron spectrum from many solids. However, measurements of the energy spectrum and the efficiency with which electrons are emitted in this process remain elusive due to a large unrelated background resulting from primary beam-induced secondary electrons. Here, we report the direct measurement of the energy spectra of electrons emitted from single layer graphene as a result of the decay of deep holes in the valence band. These measurements were made possible by eliminating competing backgrounds by employing low-energy positrons (holes by annihilation. Our experimental results, supported by theoretical calculations, indicate that between 80 and 100% of the deep valence-band holes in graphene are filled via an Auger transition.

  9. Bonding character and s-p hybridization of orbitals of hydride molecules according to photoelectron spectroscopy data

    International Nuclear Information System (INIS)

    Vovna, V.I.

    1988-01-01

    In consideration of the electron structure of the molecules in terms of canonical many-centered orbitals by s-p hybridization we mean mixture of the ns and np orbitals of an atom into one molecular orbital. The PE spectra of the valence levels of the molecules give direct information on the influence of s-p hybridization on the bonding character and energies of the levels [1, 3]. In this article we discuss the influence of hybridization on the bonding character of the MO of the isoelectronic series A 7 H - A 6 H 2 - A 5 H 2 - A 4 H 4 according to the results of PE spectroscopy. To simplify the discussion we adopt the approximation of Kupmans theorem IP i = -var epsilon i

  10. Application of the Auger and X-ray photoelectron electronic spectroscopies to the study of superficial segregation in the system Pt-Rh

    International Nuclear Information System (INIS)

    Volpe, M.A.; Castellani, N.J.; Leroy, D.B.

    1987-01-01

    The Auger and X-ray photoelectron spectroscopies are applied to the study of the superficial segregation in the system of the binary alloy Pt-Rh. The methodology for the cleaning of the samples, which is essential for the obtainment of reproducible results, has been established. The spectra qualitative analysis allows to identify the element segregated. The application of the Gallon model permits to develop a quantitative study of the phenomenon. (S.M.) [es

  11. Oxidation of nanostructured Ti films produced by low energy cluster beam deposition: An X-ray Photoelectron Spectroscopy characterization

    International Nuclear Information System (INIS)

    Simone, Monica de; Snidero, Elena; Coreno, Marcello; Bongiorno, Gero; Giorgetti, Luca; Amati, Matteo; Cepek, Cinzia

    2012-01-01

    We used in-situ X-ray Photoelectron Spectroscopy (XPS) to study the oxidation process of a cluster-assembled metallic titanium film exposed to molecular oxygen at room temperature. The nanostructured film has been grown on a Si(111) substrate, in ultra high vacuum conditions, by coupling a supersonic cluster beam deposition system with an XPS experimental chamber. Our results show that upon in-situ oxygen exposure Ti 3+ is the first oxidation state observed, followed by Ti 4+ , whereas Ti 2+ is practically absent during the whole process. Our results compare well with the existing literature on Ti films produced using other techniques.

  12. X-ray photoelectron spectroscopy and paramagnetic resonance evidence for shock-induced intramolecular bond breaking in some energetic solids

    Science.gov (United States)

    Owens, F. J.; Sharma, J.

    1980-03-01

    Solid samples of 1,3,5, trinitro 1,3,5, triazacyclohexane (RDX), trinitrotoluene (TNT), and ammonium nitrate were subjected to shock pulses of strength and duration less than the threshold to cause detonation. The recovered shocked samples were studied by x-ray photoelectron spectroscopy (XPS) and electron paramagnetic resonance (EPR). The results of these measurements indicate that the shock pulse either broke or altered the internal bonds of the molecules of the solid. The results of the shock decomposition are compared with measurements of the uv and slow thermal decomposition of these materials using the same experimental techniques.

  13. Quantitative in-depth state analysis by means of x-ray photoelectron spectroscopy and its application to surface Layer of SiC coatings

    International Nuclear Information System (INIS)

    Yabe, Katsumasa; Yamashina, Toshiro.

    1980-01-01

    An attempt of quantitative state analysis was made on the surface and the depth profile of inorganic compounds by X-ray photoelectron spectroscopy (XPS) which was combined by the sputter-etching with argon ions. A masking attachment was designed for an area of sample which is exposed to the non-uniform portion of the ion beam. Uniform sputter-etching could be attained, with the advantages on XPS observation of low background level and less impurity spectra from other origins than the sample. The photoelectron yields were examined for the quantitative analysis by XPS. The method established here was applied to analyze the surface and in-depth composition of SiC coatings onto carbon and molybdenum which are promising candidate materials as the first wall in a controlled thermonuclear reactor. (author)

  14. Chemical state analysis of heat-treated 6, 13-bis(triisopropylsilylethynyl) pentacene investigated by XPS valence band spectra, XANES spectra and first-principles calculation

    International Nuclear Information System (INIS)

    Muro, Maiko; Natsume, Yutaka; Kikuma, Jun; Setoyama, Hiroyuki

    2014-01-01

    X-ray photoelectron spectroscopy (XPS) valence band spectra reflect the chemical bonding states. To take this advantage, we tried to interpret experimental spectra by the occupied density of states (DOS) based on first principles calculation. In this work, we discussed XPS and X-ray Absorption Near Edge Structure (XANES) spectra of 6, 13-bis(triisopropylsilylethynyl) pentacene (TIPS-Pen), which is well known as an organic semiconductor. We studied chemical structure change of TIPS-Pen caused by heat-treatment at 300degC under nitrogen and under the air. It has been suggested that the structural change of pentacene skeleton by Diels-Alder type reaction occurs in both cases. In addition, the sample heat-treated under the air showed desorption of the isopropyl group and increase of oxygen concentration. (author)

  15. Probing the Vibrational Spectroscopy of the Deprotonated Thymine Radical by Photodetachment and State-Selective Autodetachment Photoelectron Spectroscopy via Dipole-Bound States

    Science.gov (United States)

    Huang, Dao-Ling; Zhu, Guo-Zhu; Wang, Lai-Sheng

    2016-06-01

    Deprotonated thymine can exist in two different forms, depending on which of its two N sites is deprotonated: N1[T-H]^- or N3[T-H]^-. Here we report a photodetachment study of the N1[T-H]^- isomer cooled in a cryogenic ion trap and the observation of an excited dipole-bound state. Eighteen vibrational levels of the dipole-bound state are observed, and its vibrational ground state is found to be 238 ± 5 wn below the detachment threshold of N1[T-H]^-. The electron affinity of the deprotonated thymine radical (N1[T-H]^.) is measured accruately to be 26 322 ± 5 wn (3.2635 ± 0.0006 eV). By tuning the detachment laser to the sixteen vibrational levels of the dipole-bound state that are above the detachment threshold, highly non-Franck-Condon resonant-enhanced photoelectron spectra are obtained due to state- and mode-selective vibrational autodetachment. Much richer vibrational information is obtained for the deprotonated thymine radical from the photodetachment and resonant-enhanced photoelectron spectroscopy. Eleven fundamental vibrational frequencies in the low-frequency regime are obtained for the N1[T-H]^. radical, including the two lowest-frequency internal rotational modes of the methyl group at 70 ± 8 wn and 92 ± 5 wn. D. L. Huang, H. T. Liu, C. G. Ning, G. Z. Zhu and L. S. Wang, Chem. Sci., 6, 3129-3138 (2015)

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

    Energy Technology Data Exchange (ETDEWEB)

    Medhurst, L.J.

    1991-11-01

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

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

    International Nuclear Information System (INIS)

    Medhurst, L.J.

    1991-11-01

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

  18. Tuning the Two-Dimensional Electron Gas at Oxide Interfaces with Ti-O Configurations: Evidence from X-ray Photoelectron Spectroscopy

    DEFF Research Database (Denmark)

    Zhang, Yu; Gan, Yulin; Niu, Wei

    2018-01-01

    Chemical redox reaction can lead to a two-dimensional electron gas (2DEG) at the interface between a TiO2-terminated SrTiO3 (STO) substrate and an amorphous LaAlO3 (a-LAO) capping layer. When replacing the STO substrate with rutile and anatase TiO2 substrates, considerable differences...... in interfacial conduction are observed. Based on X-ray photoelectron spectroscopy (XPS) and transport measurements, we conclude that the interfacial conduction comes from redox reactions, and that the differences among the materials systems result mainly from variations in the activation energies...

  19. Study of organic radicals through anion photoelectron velocity-map imaging spectroscopy

    Science.gov (United States)

    Dixon, Andrew Robert

    .30(4) eV. The EA of methylglyoxal is determined as ≤ 0.8 eV based on the signal-to-noise ratio of the X 1A ' ← X 2A'' transition, with a VDE = 1.28(4) eV. The EA of the a 3A'' ← X 2A '' and A 1A'' ← X 2A'' transitions are determined as 3.28(3) eV and 3.614(5) eV respectively. The intrinsically short-lived ethylenedione molecule (OCCO) was observed and investigated using anion photoelectron spectroscopy. The adiabatic electron affinity of its 3Sigmag □ ground state is 1.936(8) eV. The vibrational progression with a 417(15) cm-1 frequency observed within the triplet band corresponds to a trans-bending mode. Several dissociative singlet states are also observed, corresponding to two components of the 1Delta g state and the 1Sigmag + state. The experimental results are in agreement with the theory predictions and constitute the first spectroscopic observation and characterization of the elusive ethylenedione molecule. Two glyoxal derivatives related to the ethylenedione anion (OCCO -), ethynediolide (HOCCO-) and glyoxalide (OHCCO-), were studied. These anions provide access to the corresponding neutral reactive intermediates: the HOCCO and OHCCO radicals. In the HOCCO/OHCCO anion photoelectron spectrum, we identify several electronic states of this radical system and determine the adiabatic electron affinity of HOCCO as 1.763(6) eV. This result is compared to the corresponding 1.936(8) eV value for ethylenedione (OCCO). Initial attempts were made to detect and observe the dicyanoacetylene anion, NCCCCN- , by photoelectron imaging. While it is believed the experimental design path of H2+ abstraction from fumaronitrile is sound, no spectral signature can be assigned to NCCCCN -. Calculations targeting the low-lying transitions from the anion indicate that the molecule should have a significantly positive electron affinity and at least the ground state should be accessible with the currently available laser sources. The cluster ion O2(N2O) of the same nominal mass as

  20. Band alignment and defects of the diamond zinc oxide heterojunction; Bandstruktur und Defekte der Diamant-Zinkoxid-Heterostruktur

    Energy Technology Data Exchange (ETDEWEB)

    Geithner, Peter

    2008-09-12

    Zinc oxide films were grown on diamond single crystals by rf sputtering of zinc oxide. The valence and conduction band offset was determined by photoelectron spectroscopy. A deep defect occurring in the zinc oxide films on diamond was characterized by cathodoluminescence spectroscopy. (orig.)

  1. Atmospheric pressure X-ray photoelectron spectroscopy apparatus: Bridging the pressure gap

    Energy Technology Data Exchange (ETDEWEB)

    Velasco-Vélez, J. J., E-mail: velasco@fhi-berlin.mpg.de, E-mail: mh@fhi-berlin.mpg.de; Schlögl, R. [Department of Heterogeneous Reactions, Max Planck Institute for Chemical Energy Conversion, Mülheim an der Ruhr 45470 (Germany); Department of Inorganic Chemistry, Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin 14195 (Germany); Pfeifer, V.; Algara-Siller, G.; Stotz, E.; Teschner, D.; Kube, P.; Knop-Gericke, A. [Department of Inorganic Chemistry, Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin 14195 (Germany); Hävecker, M., E-mail: velasco@fhi-berlin.mpg.de, E-mail: mh@fhi-berlin.mpg.de; Skorupska, K. [Department of Heterogeneous Reactions, Max Planck Institute for Chemical Energy Conversion, Mülheim an der Ruhr 45470 (Germany); Wang, R.; Braeuninger-Weimer, P.; Hofmann, S. [Engineering Department, University of Cambridge, Cambridge CB3 0FA (United Kingdom); Centeno, A.; Zurutuza, A. [Graphenea, San Sebastian 20018 (Spain)

    2016-05-15

    One of the main goals in catalysis is the characterization of solid/gas interfaces in a reaction environment. The electronic structure and chemical composition of surfaces become heavily influenced by the surrounding environment. However, the lack of surface sensitive techniques that are able to monitor these modifications under high pressure conditions hinders the understanding of such processes. This limitation is known throughout the community as the “pressure gap.” We have developed a novel experimental setup that provides chemical information on a molecular level under atmospheric pressure and in presence of reactive gases and at elevated temperatures. This approach is based on separating the vacuum environment from the high-pressure environment by a silicon nitride grid—that contains an array of micrometer-sized holes—coated with a bilayer of graphene. Using this configuration, we have investigated the local electronic structure of catalysts by means of photoelectron spectroscopy and in presence of gases at 1 atm. The reaction products were monitored online by mass spectrometry and gas chromatography. The successful operation of this setup was demonstrated with three different examples: the oxidation/reduction reaction of iridium (noble metal) and copper (transition metal) nanoparticles and with the hydrogenation of propyne on Pd black catalyst (powder).

  2. Photoelectron spectroscopic study on the electronic structures of the dental gold alloys and their interaction with L-cysteine

    International Nuclear Information System (INIS)

    Ogawa, Koji; Takahashi, Kazutoshi; Azuma, Junpei; Kamada, Masao; Tsujibayashi, Toru; Ichimiya, Masayoshi; Fujimoto, Hitoshi; Sumimoto, Michinori

    2011-01-01

    The valence electronic structures of the dental gold alloys, type 1, type 3, and K14, and their interaction with L-cysteine have been studied by ultraviolet photoelectron spectroscopy with synchrotron radiation. It was found that the electronic structures of the type-1 and type-3 dental alloys are similar to that of polycrystalline Au, while that of the K14 dental alloy is much affected by Cu. The peak shift and the change in shape due to alloying are observed in all the dental alloys. It is suggested that the new peak observed around 2 eV for the L-cysteine thin films on all the dental alloys may be due to the bonding of S 3sp orbitals with the dental alloy surfaces, and the Cu-S bond, as well as the Au-S and Au-O bonds, may cause the change in the electronic structure of the L-cysteine on the alloys.

  3. X-ray photoelectron spectrometry and binding energies of Be 1s and O 1s core levels in clinobarylite, BaBe2Si2O7, from Khibiny massif, Kola peninsula

    International Nuclear Information System (INIS)

    Atuchin, V.V.; Kesler, V.G.; Sapozhnikov, V.K.; Yakovenchuk, V.N.

    2008-01-01

    The electronic structure of BaBe 2 Si 2 O 7 , clinobarylite, has been investigated by means of X-ray photoelectron spectroscopy (XPS). The valence band of the crystal is mainly formed by Ba 5p, Ba 3s and O 2s states. At higher binding energies the emission lines related to the Si 2p, Be 1s, Si 2s, O 1s and numerous Ba-related states were analyzed in the photoemission spectrum. The Si KLL Auger line has been measured under excitation by the bremsstrahlung X-rays from the Al anode. Chemical bonding effects for Be 1s core level have been considered by comparison with electronic parameters measured for other beryllium containing oxides

  4. Band alignment of atomic layer deposited MgO/Zn0.8Al0.2O heterointerface determined by charge corrected X-ray photoelectron spectroscopy

    Science.gov (United States)

    Yan, Baojun; Liu, Shulin; Yang, Yuzhen; Heng, Yuekun

    2016-05-01

    Pure magnesium (MgO) and zinc oxide doped with aluminum oxide (Zn0.8Al0.2O) were prepared via atomic layer deposition. We have studied the structure and band gap of bulk Zn0.8Al0.2O material by X-ray diffractometer (XRD) and Tauc method, and the band offsets and alignment of atomic layer deposited MgO/Zn0.8Al0.2O heterointerface were investigated systematically using X-ray photoelectron spectroscopy (XPS) in this study. Different methodologies, such as neutralizing electron gun, the use of C 1s peak recalibration and zero charging method, were applied to recover the actual position of the core levels in insulator materials which were easily influenced by differential charging phenomena. Schematic band alignment diagram, valence band offset (ΔEV) and conduction band offset (ΔEC) for the interface of the MgO/Zn0.8Al0.2O heterostructure have been constructed. An accurate value of ΔEV = 0.72 ± 0.11 eV was obtained from various combinations of core levels of heterojunction with varied MgO thickness. Given the experimental band gaps of 7.83 eV for MgO and 5.29 eV for Zn0.8Al0.2O, a type-II heterojunction with a ΔEC of 3.26 ± 0.11 eV was found. Band offsets and alignment studies of these heterojunctions are important for gaining deep consideration to the design of various optoelectronic devices based on such heterointerface.

  5. Valence band photoemission studies of clean metals

    International Nuclear Information System (INIS)

    Wehner, P.S.

    1978-04-01

    The application of Angle-Resolved Photoelectron Spectroscopy (ARPES) to crystalline solids and the utilization of such studies to illuminate several questions concerning the detailed electronic structure of such materials, are discussed. Specifically, by construction of a Direct Transition (DT) model and the utilization of energy-dependent angle-resolved normal photoemission in the photon energy range 32 eV < or = hν < or = 200 eV, the bulk band structure of copper is experimentally mapped out along three different directions in the Brillouin Zone; GAMMA to K, GAMMA to L, and GAMMA to X. In addition, various effects which influence the obtainable resolution in vector k-space, namely, thermal disorder, momentum broadening, and band mixing, are discussed and are shown to place severe limitations on the applicability of the DT model. Finally, a model for Angle-Resolved X-ray Photoelectron Spectroscopy (ARXPS) based on the symmetry of the initial-state wavefunctions is presented and compared to experimental results obtained from copper single crystals

  6. Hard X-ray photoelectron spectroscopy study for transport behavior of CsI in heating test simulating a BWR severe accident condition: Chemical effects of boron vapors

    Energy Technology Data Exchange (ETDEWEB)

    Okane, T., E-mail: okanet@spring8.or.jp [Quantum Beam Science Center, Japan Atomic Energy Agency, 1-1-1 Kouto, Sayo-cho, Hyogo, 679-5148 (Japan); Kobata, M. [Quantum Beam Science Center, Japan Atomic Energy Agency, 1-1-1 Kouto, Sayo-cho, Hyogo, 679-5148 (Japan); Sato, I. [Oarai Research and Development Center, Japan Atomic Energy Agency, 4002 Narita-cho, Oarai-machi, Ibaraki, 311-1393 (Japan); Kobayashi, K. [Quantum Beam Science Center, Japan Atomic Energy Agency, 1-1-1 Kouto, Sayo-cho, Hyogo, 679-5148 (Japan); Osaka, M. [Nuclear Science and Engineering Center, Japan Atomic Energy Agency, 4002 Narita-cho, Oarai-machi, Ibaraki, 311-1393 (Japan); Yamagami, H. [Quantum Beam Science Center, Japan Atomic Energy Agency, 1-1-1 Kouto, Sayo-cho, Hyogo, 679-5148 (Japan); Faculty of Science, Kyoto Sangyo University, Motoyama, Kamigamo, Kita-ku, Kyoto, 603-8555 (Japan)

    2016-02-15

    Highlights: • We have clarified the temperature-dependent chemical forms of Cs/I products. • We have examined the CsI-decomposing effects of B{sub 2}O{sub 3} vapor. • The possibility of Cs re-evaporation from CsI-deposited surface is suggested. • We have demonstrated the usefulness of HAXPES on FP chemistry. - Abstract: Transport behavior of CsI in the heating test, which simulated a BWR severe accident, was investigated by hard X-ray photoelectron spectroscopy (HAXPES) with an emphasis on the chemical effect of boron vapors. CsI deposited on metal tube at temperatures ranging from 150 °C to 750 °C was reacted with vapor/aerosol B{sub 2}O{sub 3}, and the chemical form of reaction products on the sample surface was examined from the HAXPES spectra of core levels, e.g., Ni 2p, Cs 3d and I 3d levels, and valence band. For the samples at ∼300 °C, while the chemical form of major product on the sample surface without an exposure to B{sub 2}O{sub 3} was suggested to be CsI from the HAXPES spectra, an intensity ratio of Cs/I was dramatically reduced at the sample surface after the reaction with B{sub 2}O{sub 3}. The results suggest the possibility of significant decomposition of deposited CsI induced by the chemical reaction with B{sub 2}O{sub 3} at specific temperatures.

  7. Effect of relaxation and decay of a charge transfer shakeup satellite on Auger-electron spectroscopy spectra and Auger-photoelectron coincidence spectroscopy spectra of adsorbates

    International Nuclear Information System (INIS)

    Ohno, Masahide

    2008-01-01

    An electron excited to an unoccupied part of adsorbate-substrate hybrid states in a chemisorbed molecule by a resonant core electron excitation or charge transfer (CT) shakeup may delocalize on time scale of core-hole decay so that the excited core-hole state relaxes partly or completely to a fully relaxed one. The Auger decay of the fully relaxed core-hole state via the relaxation of the excited one introduces an additional feature in the resonant Auger-electron spectroscopy (RAES) spectrum and the AES spectrum. However, the additional feature in the RAES spectrum is a normal AES spectrum by decay of the fully relaxed core-hole state, whereas the one in the AES spectrum is the AES spectrum by decay of the fully relaxed core-hole state broadened by the photoelectron spectroscopy (PES) CT shakeup satellite weighted by the branching ratio of the relaxation width. The discrepancies between the AES spectrum measured at high above the ionization threshold and the additional feature in the RAES spectrum consist of the symmetric-like part by the decay of the fully relaxed core-hole state via the relaxation of the CT shakeup state and the asymmetric part by the direct decay of the shakeup states. The asymmetric part increases with a decrease in the hybridization strength. This explains the variation with the hybridization strength in the discrepancies between the RAES spectra and the AES spectra of chemisorbed molecules such as CO/Ni, CO/Cu and CO/Ag. A comparison of the singles PES spectrum with the one measured in coincidence with the AES main line of a selected kinetic energy (KE) provides the delocalization rate of the excited electron in the CT shakeup state as a function of photoelectron KE. The coincidence measurement to obtain the partial singles PES spectrum is discussed

  8. X ray photoelectron spectroscopy (XPS) analysis of Photosensitive ZrO2 array

    Science.gov (United States)

    Li, Y.; Zhao, G.; Zhu, R.; Kou, Z.

    2018-03-01

    Based on organic zirconium source as the starting material, by adding chemical modifiers which are made up with photosensitive ZrO2 sol. A uniformed ZrO2 array dot was fabricated with a mean diameter of around 800 nm. By using UV-vis spectra and X-ray photoelectron spectroscopy analysis method, studies the photosensitive ZrO2 gel film of photochemical reaction process and the photosensitive mechanism, to determine the zirconium atom centered chelate structure, reaction formed by metal chelate Zr atom for the center, and to establish the molecular model of the chelate. And studied the ultraviolet light in the process of the variation of the XPS spectra, Zr3d5/2 to 184.9 eV corresponding to the binding energy of the as the combination of state peak gradually reduce; By combining with the status of Zr-O peak gradually increase; The strength of the peak is gradually decline. This suggests that in the process of ultraviolet light photo chemical reaction happened. This study is of great significance to the micro fabrication of ZrO2 array not only to the memory devices but also to the optical devices.

  9. Micro-Valences: Affective valence in neutral everyday objects

    Directory of Open Access Journals (Sweden)

    Sophie eLebrecht

    2012-04-01

    Full Text Available Affective valence influences both our cognition and our perception of the world. Indeed, the speed and quality with which we recognize objects in a visual scene can vary dramatically depending on its affective content. However, affective processing of visual objects has been typically studied using only stimuli with strong affective valences (e.g., guns or roses. Here we explore whether affective valence must be strong or obvious to exert an effect on our perception. We conclude that the majority of objects carry some affective valence (micro-valences and, thus, nominally neutral objects are not really neutral. Functionally, the perception of valence in everyday objects facilitates perceptually-driven choice behavior, decision-making, and affective responses.

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

    Energy Technology Data Exchange (ETDEWEB)

    Medhurst, Laura Jane [Univ. of California, Berkeley, CA (United States)

    1991-11-01

    High resolution synchrotron radiation and Zero-Kinetic-Energy Photoelectron spectroscopy were used to study two-electron transitions in atomic systems at their ionization thresholds. Using this same technique the core-ionized mainline and satellite states of N2 and CO were studied with vibrational resolution. Vibrationally resolved synchrotron radiation was used to study the dissociation of N2, C2H4, and CH3Cl near the N 1s and C 1s thresholds. The photoelectron satellites of the argon 3s, krypton 4s and xenon 4d subshells were studied with zero kinetic energy photoelectron spectroscopy at their ionization thresholds. In all of these cases, satellites with lower binding energies are enhanced at their thresholds while those closer to the double ionization threshold are suppressed relative to their intensities at high incident light energies.

  11. Internal structure of InP/ZnS nanocrystals unraveled by high-resolution soft X-ray photoelectron spectroscopy.

    Science.gov (United States)

    Huang, Kai; Demadrille, Renaud; Silly, Mathieu G; Sirotti, Fausto; Reiss, Peter; Renault, Olivier

    2010-08-24

    High-energy resolution photoelectron spectroscopy (DeltaE InP/ZnS core/shell nanocrystals synthesized using a single-step procedure (core and shell precursors added at the same time), a homogeneously alloyed InPZnS core structure is evidenced by quantitative analysis of their In3d(5/2) spectra recorded at variable excitation energy. When using a two-step method (core InP nanocrystal synthesis followed by subsequent ZnS shell growth), XPS analysis reveals a graded core/shell interface. We demonstrate the existence of In-S and S(x)-In-P(1-x) bonding states in both types of InP/ZnS nanocrystals, which allows a refined view on the underlying reaction mechanisms.

  12. High resolution photoelectron spectroscopy of clusters of Group V elements

    International Nuclear Information System (INIS)

    Wang, Lai-sheng; Niu, B.; Lee, Y.T.; Shirley, D.A.

    1989-07-01

    High resolution HeI (580 angstrom) photoelectron spectra of As 2 , As 4 , and P 4 were obtained with a newly-built high temperature molecular beam source. Vibrational structure was resolved in the photoelectron spectra of the three cluster species. The Jahn-Teller effect is discussed for the 2 E and 2 T 2 states of P 4 + and As 4 + . As a result of the Jahn-Teller effect, the 2 E state splits into two bands, and the 2 T 2 state splits into three bands, in combination with the spin-orbit effect. It was observed that the ν 2 normal vibrational mode was involved in the vibronic interaction of the 2 E state, while both the ν 2 and ν 3 modes were active in the 2 T 2 state. 26 refs., 5 figs., 3 tabs

  13. Analysis of electronic structure of amorphous InGaZnO/SiO2 interface by angle-resolved X-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Ueoka, Y.; Ishikawa, Y.; Maejima, N.; Matsui, F.; Matsui, H.; Yamazaki, H.; Urakawa, S.; Horita, M.; Daimon, H.; Uraoka, Y.

    2013-01-01

    The electronic structures of amorphous indium gallium zinc oxide (a-IGZO) on a SiO 2 layers before and after annealing were observed by constant final state X-ray photoelectron spectroscopy (CFS-XPS) and X-ray adsorption near-edge structure spectroscopy (XANES). From the results of angle-resolved CFS-XPS, the change in the electronic state was clearly observed in the a-IGZO bulk rather than in the a-IGZO/SiO 2 interface. This suggests that the electronic structures of the a-IGZO bulk strongly affected the thin-film transistor characteristics. The results of XANES indicated an increase in the number of tail states upon atmospheric annealing (AT). We consider that the increase in the number of tail states decreased the channel mobility of AT samples

  14. Coincidence and covariance data acquisition in photoelectron and -ion spectroscopy. II. Analysis and applications

    Science.gov (United States)

    Mikosch, Jochen; Patchkovskii, Serguei

    2013-10-01

    We use an analytical theory of noisy Poisson processes, developed in the preceding companion publication, to compare coincidence and covariance measurement approaches in photoelectron and -ion spectroscopy. For non-unit detection efficiencies, coincidence data acquisition (DAQ) suffers from false coincidences. The rate of false coincidences grows quadratically with the rate of elementary ionization events. To minimize false coincidences for rare event outcomes, very low event rates may hence be required. Coincidence measurements exhibit high tolerance to noise introduced by unstable experimental conditions. Covariance DAQ on the other hand is free of systematic errors as long as stable experimental conditions are maintained. In the presence of noise, all channels in a covariance measurement become correlated. Under favourable conditions, covariance DAQ may allow orders of magnitude reduction in measurement times. Finally, we use experimental data for strong-field ionization of 1,3-butadiene to illustrate how fluctuations in experimental conditions can contaminate a covariance measurement, and how such contamination can be detected.

  15. Investigations into the electronic structure of the high-Tc superconductors by means of photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Dauth, B.H.

    1989-08-01

    The electronic structure of various polycrystalline samples including the new YBaCuO- and BiCaSrCuO- high T c superconductors (HTSC) and related systems is investigated by photoelectron spectroscopy. Additional characterization is performed by conductivity measurements. In particular, the binding energy of the Cu-2p 3/2 - and the O-1s-levels of various HTSC is determined. For the first time the controversial 531 eV oxygen line was shown to be an intrinsic electronic structure effect. Sintered CuO-samples are obtained for the first time. The electronic structure of the sintered CuO turns out to be drastically different with respect to pressed CuO powder. For the first time a crossover resonance from a O-1s- into a Cu-3d-level was observed with synchrotron radiation. This is additional evidence for the strong hybridization between the Cu-3d and the O-2p states. Photoemission spectroscopy shows that the holes in the HTSC's are located at the oxygen p-band. Fe and Al overlayers on the HTSC-samples induce a drastic change in the electronic properties of the interface: apparently oxygen is removed from the HTSC to the overlayer. (orig./BHO)

  16. Annealing induced atomic rearrangements on (Ga,In) (N,As) probed by hard X-ray photoelectron spectroscopy and X-ray absorption fine structure.

    Science.gov (United States)

    Ishikawa, Fumitaro; Higashi, Kotaro; Fuyuno, Satoshi; Morifuji, Masato; Kondow, Masahiko; Trampert, Achim

    2018-04-13

    We study the effects of annealing on (Ga 0.64 ,In 0.36 ) (N 0.045 ,As 0.955 ) using hard X-ray photoelectron spectroscopy and X-ray absorption fine structure measurements. We observed surface oxidation and termination of the N-As bond defects caused by the annealing process. Specifically, we observed a characteristic chemical shift towards lower binding energies in the photoelectron spectra related to In. This phenomenon appears to be caused by the atomic arrangement, which produces increased In-N bond configurations within the matrix, as indicated by the X-ray absorption fine structure measurements. The reduction in the binding energies of group-III In, which occurs concomitantly with the atomic rearrangements of the matrix, causes the differences in the electronic properties of the system before and after annealing.

  17. Photoelectron Spectroscopy of CdSe Nanocrystals in the Gas Phase: A Direct Measure of the Evanescent Electron Wave Function of Quantum Dots

    Science.gov (United States)

    2013-01-01

    researchers have used ultrafast transient absorption spectros - copy to show that the charge separation rate of Type II core− shell QDs depends on the extent...the first direct measurement of the evanescent electron density of the QD exciton. We use ultrafast two-photon photoelectron spectros - copy (2PPE) to...clusters are well preserved after the aerosol system, as observed using UV − visible spectroscopy (Supporting Information Figure S1). The isolation of the

  18. General survey of recent development of photoemission spectroscopy

    International Nuclear Information System (INIS)

    Edamoto, Kazuyuki

    1994-01-01

    On the present state of the recent development of photoemission spectroscopy, by limiting the topics to the development of the spectroscopy proper and the development contributing to the progress of surface science, general explanation is made. As to the development that enabled to heighten spectrum resolution, surface core-level shift and the precise measurement of the Fermi surface of surface level are described, showing the example. Also a number of the developments which enabled the utilization of the light source, of which the wavelength is variable, and which was brought about by synchrotron radiation beam, were mentioned. Besides, spin polarized photoelectron spectroscopy, the development of photoelectron microscope and others are outlined. Photoemission spectroscopy is very useful for analyzing the electron condition of solid surfaces. There are two factors in heightening core level spectrum resolution, namely, heightening the resolution of an electron energy analyzer proper and the utilization of synchrotron radiation as a light source. High resolution core-level spectra, angle-resolved photoemission spectroscopy, and as the light source of which the wavelength is variable, resonance photoemission spectroscopy, constant initial state spectroscopy and soft X-ray photoemission spectroscopy, and as the recently developed spectroscopy, spin polarized photoemission spectroscopy, Auger photoelectron coincidence spectroscopy and photoelectron microscope are explained. (K.I.)

  19. Molecular spectroscopy

    International Nuclear Information System (INIS)

    Kokh, Eh.; Zonntag, B.

    1981-01-01

    The latest investigation results on molecular spectroscopy with application of synchrotron radiation in the region of vacuum ultraviolet are generalized. Some results on investigation of excited, superexcited and ionized molecule states with the use of adsorption spectroscopy, photoelectron spectroscopy, by fluorescent and mass-spectrometric methods are considered [ru

  20. X-ray photoelectron spectroscopy studies of nitridation on 4H-SiC (0001) surface by direct nitrogen atomic source

    International Nuclear Information System (INIS)

    Chai, J. W.; Pan, J. S.; Zhang, Z.; Wang, S. J.; Chen, Q.; Huan, C. H. A.

    2008-01-01

    A Si 3 N 4 passivation layer has been successfully grown on the 4H-SiC (0001) surface by direct atomic source nitridation at various substrate temperatures. In situ x-ray photoelectron spectroscopy measurements show that higher substrate temperature leads to higher nitridation rate and good crystallinity of the passivation layer. A thin oxynitride layer on the top of the Si 3 N 4 was observed due to the residual O in the vacuum system, but was decomposed during annealing. In the meantime, excess C was found to be effectively removed by the reactive atomic N source

  1. Valence holes observed in nanodiamonds dispersed in water

    Science.gov (United States)

    Petit, Tristan; Pflüger, Mika; Tolksdorf, Daniel; Xiao, Jie; Aziz, Emad F.

    2015-02-01

    Colloidal dispersion is essential for most nanodiamond applications, but its influence on nanodiamond electronic properties remains unknown. Here we have probed the electronic structure of oxidized detonation nanodiamonds dispersed in water by using soft X-ray absorption and emission spectroscopies at the carbon and oxygen K edges. Upon dispersion in water, the π* transitions from sp2-hybridized carbon disappear, and holes in the valence band are observed.Colloidal dispersion is essential for most nanodiamond applications, but its influence on nanodiamond electronic properties remains unknown. Here we have probed the electronic structure of oxidized detonation nanodiamonds dispersed in water by using soft X-ray absorption and emission spectroscopies at the carbon and oxygen K edges. Upon dispersion in water, the π* transitions from sp2-hybridized carbon disappear, and holes in the valence band are observed. Electronic supplementary information (ESI) available: Experimental methods, details on XAS/XES normalization and background correction procedures. See DOI: 10.1039/c4nr06639a

  2. Electronic structure of Ti4Fe2Ox as determined from first-principles APW + LO calculations and X-ray spectroscopy data

    International Nuclear Information System (INIS)

    Lavrentyev, A.A.; Gabrelian, B.V.; Shkumat, P.N.; Nikiforov, I.Ya.; Zavaliy, I.Yu.; Sinelnichenko, A.K.; Izvekov, A.V.; Khyzhun, O.Yu.

    2010-01-01

    Electronic properties of Ti 4 Fe 2 O oxide, a very promising hydrogen-storage material, were studied both from theoretical and experimental points of view employing the first-principles band-structure augmented plane wave + local orbitals (APW + LO) method with the WIEN2k code as well as X-ray photoelectron spectroscopy (XPS) and soft X-ray emission spectroscopy (SXES). Total and partial densities of states of the constituent atoms of Ti 4 Fe 2 O have been derived from the APW + LO calculations. The XPS valence-band spectra as well as the SXES Ti Lα, Fe Lα and O Kα bands have been measured for a series of Ti 4 Fe 2 O x oxides (x = 1.0, 0.5, and 0.25). The present APW + LO calculations reveal that, the O 2p-like states are the dominant contributors into the bottom of the valence band, whilst the top of the valence band and the bottom of the conduction band of Ti 4 Fe 2 O are dominated by contributions of the Fe 3d- and Ti 3d-like states. The APW + LO results are confirmed experimentally by a comparison on a common energy scale of the XPS valence-band spectra and the SXES Ti Lα, Fe Lα and O Kα bands of the Ti 4 Fe 2 O x oxides. The XPS Ti 2p, Fe 2p and O 1s core-level binding energies have been measured for the compounds under consideration.

  3. Photo-electron spectroscopy study of energy levels in conjugated oligomers

    NARCIS (Netherlands)

    Veenstra, SC; Heeres, A; Stalmach, U; Wildeman, J; Hadziioannou, G; Sawatzky, GA; Jonkman, HT; Moss, SC

    2002-01-01

    We report on the valence orbital structure of poly(para-phenylenevinylene) (PPV)-like oligomers. We studied these molecules as isolated oligomers in the gas phase, as well as in thin films deposited on metal substrates. We use a simple model based on a previously reported Hamiltonian that accurately

  4. Band width and multiple-angle valence-state mapping of diamond

    International Nuclear Information System (INIS)

    Jimenez, I.; Terminello, L.J.; Sutherland, D.G.J.

    1997-01-01

    The band width may be considered the single most important parameter characterizing the electronic structure of a solid. The ratio of band width and Coulomb repulsion determines how correlated or delocalized an electron system is. Some of the most interesting solids straddle the boundary between localized and delocalized, e.g. the high-temperature superconductors. The bulk of the band calculations available today is based on local density functional (DF) theory. Even though the Kohn-Sham eigenvalues from that theory do not represent the outcome of a band-mapping experiment, they are remarkably similar to the bands mapped via photoemission. Strictly speaking, one should use an excited state calculation that takes the solid's many-body screening response to the hole created in photoemission into account. Diamond is a useful prototype semiconductor because of its low atomic number and large band width, which has made it a long-time favorite for testing band theory. Yet, the two experimental values of the band width of diamond have error bars of ±1 eV and differ by 3.2 eV. To obtain an accurate valence band width for diamond, the authors use a band-mapping method that collects momentum distributions instead of the usual energy distributions. This method has undergone extensive experimental and theoretical tests in determining the band width of lithium fluoride. An efficient, imaging photoelectron spectrometer is coupled with a state-of-the-art undulator beam line at the Advanced Light Source to allow collection of a large number of data sets. Since it takes only a few seconds to take a picture of the photoelectrons emitted into a 84 degrees cone, the authors can use photon energies as high as 350 eV where the cross section for photoemission from the valence band is already quite low, but the emitted photoelectrons behave free-electron-like. This make its much easier to locate the origin of the inter-band transitions in momentum space

  5. Band width and multiple-angle valence-state mapping of diamond

    Energy Technology Data Exchange (ETDEWEB)

    Jimenez, I.; Terminello, L.J.; Sutherland, D.G.J. [Lawrence Berkeley National Lab., CA (United States)] [and others

    1997-04-01

    The band width may be considered the single most important parameter characterizing the electronic structure of a solid. The ratio of band width and Coulomb repulsion determines how correlated or delocalized an electron system is. Some of the most interesting solids straddle the boundary between localized and delocalized, e.g. the high-temperature superconductors. The bulk of the band calculations available today is based on local density functional (DF) theory. Even though the Kohn-Sham eigenvalues from that theory do not represent the outcome of a band-mapping experiment, they are remarkably similar to the bands mapped via photoemission. Strictly speaking, one should use an excited state calculation that takes the solid`s many-body screening response to the hole created in photoemission into account. Diamond is a useful prototype semiconductor because of its low atomic number and large band width, which has made it a long-time favorite for testing band theory. Yet, the two experimental values of the band width of diamond have error bars of {+-}1 eV and differ by 3.2 eV. To obtain an accurate valence band width for diamond, the authors use a band-mapping method that collects momentum distributions instead of the usual energy distributions. This method has undergone extensive experimental and theoretical tests in determining the band width of lithium fluoride. An efficient, imaging photoelectron spectrometer is coupled with a state-of-the-art undulator beam line at the Advanced Light Source to allow collection of a large number of data sets. Since it takes only a few seconds to take a picture of the photoelectrons emitted into a 84{degrees} cone, the authors can use photon energies as high as 350 eV where the cross section for photoemission from the valence band is already quite low, but the emitted photoelectrons behave free-electron-like. This make its much easier to locate the origin of the inter-band transitions in momentum space.

  6. Photoemission spectroscopy using synchrotron radiation

    International Nuclear Information System (INIS)

    Kobayashi, K.L.I.

    1980-01-01

    It is an epoch making event for photoemission spectroscopy that the light sources of continuous wavelength from vacuum ultra-violet to X-ray region have become available by the advent of synchrotron radiation. Specifically the progress after stable intense light has become obtainable from storage rings is very significant. One of the features of these synchrotron radiation is its extreme polarization of radiating pattern. Though the elementary processes of photoemission out of solids are the basic themes, phenomenalistic 3-stage model is usually applied to the analysis of experiments. In this model, the process of photoemission is considered by dividing into three stages, namely the generation of photoelectrons due to optical transition between electron status -- the transportation of photoelectrons to solid surfaces -- breaking away from the surfaces. The spectrometers, the energy analyzers of photoelectrons, and sample-preparing room used for photoemission spectroscopy are described. Next, energy distribution curves are explained. At the end, photoelectron yield spectroscopy, CFS (constant final energy spectroscopy) and CIS (constant initial energy spectroscopy), Auger yield and interatomic Auger yield, the determination of surface structure by normal emission CIS, and surface EXAFS (extended X-ray absorption fine structure) are described. As seen above, the application specifically to surface physics is promising in the future. (Wakatsuki, Y.)

  7. Levels of valence

    Directory of Open Access Journals (Sweden)

    Vera eShuman

    2013-05-01

    Full Text Available The distinction between the positive and the negative is fundamental in our emotional life. In appraisal theories, in particular in the component process model of emotion (Scherer, 1984, 2010, qualitatively different types of valence are proposed based on appraisals of (unpleasantness, goal obstructiveness/conduciveness, low or high power, self- (incongruence, and moral badness/goodness. This multifaceted conceptualization of valence is highly compatible with the frequent observation of mixed feelings in real life. However, it seems to contradict the one-dimensional conceptualization of valence often encountered in psychological theories, and the notion of valence as a common currency used to explain choice behavior. Here, we propose a framework to integrate the seemingly disparate conceptualizations of multifaceted valence and one-dimensional valence by suggesting that valence should be conceived at different levels, micro and macro. Micro-valences correspond to qualitatively different types of evaluations, potentially resulting in mixed feelings, whereas one-dimensional macro-valence corresponds to an integrative common currency to compare alternatives for choices. We propose that conceptualizing levels of valence may focus research attention on the mechanisms that relate valence at one level (micro to valence at another level (macro, leading to new hypotheses and addressing various concerns that have been raised about the valence concept, such as the valence-emotion relation.

  8. Raman and photoelectron spectroscopic investigation of high-purity niobium materials: Oxides, hydrides, and hydrocarbons

    Science.gov (United States)

    Singh, Nageshwar; Deo, M. N.; Nand, Mangla; Jha, S. N.; Roy, S. B.

    2016-09-01

    We present investigations of the presence of oxides, hydrides, and hydrocarbons in high-purity (residual resistivity ratio, ˜300) niobium (Nb) materials used in fabrication of superconducting radio frequency (SRF) cavities for particle accelerators. Raman spectroscopy of Nb materials (as-received from the vendor as well as after surface chemical- and thermal processing) revealed numerous peaks, which evidently show the presence of oxides (550 cm-1), hydrides (1277 and 1385 cm-1: ˜80 K temperature), and groups of hydrocarbons (1096, 2330, 2710, 2830, 2868, and 3080 cm-1). The present work provides direct spectroscopic evidence of hydrides in the electropolished Nb materials typically used in SRF cavities. Raman spectroscopy thus can provide vital information about the near-surface chemical species in niobium materials and will help in identifying the cause for the performance degradation of SRF cavities. Furthermore, photoelectron spectroscopy was performed on the Nb samples to complement the Raman spectroscopy study. This study reveals the presence of C and O in the Nb samples. Core level spectra of Nb (doublet 3d5/2 and 3d3/2) show peaks near 206.6 and 209.4 eV, which can be attributed to the Nb5+ oxidation state. The core level spectra of C 1 s of the samples are dominated by graphitic carbon (binding energy, 284.6 eV), while the spectra of O 1 s are asymmetrically peaked near binding energy of ˜529 eV, and that indicates the presence of metal-oxide Nb2O5. The valence-band spectra of the Nb samples are dominated by a broad peak similar to O 2p states, but after sputtering (for 10 min) a peak appears at ˜1 eV, which is a feature of the elemental Nb atom.

  9. Wet-cleaning of MgO(001): Modification of surface chemistry and effects on thin film growth investigated by x-ray photoelectron spectroscopy and time-of-flight secondary ion mass spectroscopy

    OpenAIRE

    Le Febvrier, Arnaud; Jensen, Jens; Eklund, Per

    2017-01-01

    The effect of the wet-cleaning process using solvents and detergent on the surface chemistry of MgO(001) substrate for film deposition was investigated. Six different wet-cleaning processes using solvent and detergent were compared. The effect on film growth was studied by the example system ScN. The surface chemistry of the cleaned surface was studied by x-ray photoelectron spectroscopy and the film/substrate interface after film growth was investigated by time-of-flight secondary ion mass s...

  10. Stereo photograph of atomic arrangement by circularly-polarized-light two-dimensional photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Daimon, Hiroshi

    2003-01-01

    A stereo photograph of atomic arrangement was obtained for the first time. The stereo photograph was displayed directly on the screen of display-type spherical-mirror analyzer without any computer-aided conversion process. This stereo photography was realized taking advantage of the phenomenon of circular dichroism in photoelectron angular distribution due to the reversal of orbital angular momentum of photoelectrons. The azimuthal shifts of forward focusing peaks in a photoelectron angular distribution pattern taken with left and right helicity light in a special arrangement are the same as the parallaxes in a stereo view of atoms. Hence a stereoscopic recognition of three-dimensional atomic arrangement is possible, when the left eye and the right eye respectively view the two images obtained by left and right helicity light simultaneously. (author)

  11. Surface study of stainless steel electrode deposition from soil electrokinetic (EK) treatment using X-ray photoelectron spectroscopy (XPS)

    Energy Technology Data Exchange (ETDEWEB)

    Embong, Zaidi, E-mail: zaidi@uthm.edu.my [Faculty of Science, Technology and Human Development, Universiti Tun Hussien Onn Malaysia (UTHM) 86400, Parit Raja, Batu, Johor (Malaysia); Research Centre for Soft Soils (RECESS), Office for Research, Innovation, Commercialization and Consultancy Management (ORICC), Universiti Tun Hussien Onn Malaysia UTHM 86400, Parit Raja, Batu, Johor (Malaysia); Johar, Saffuwan [Faculty of Science, Technology and Human Development, Universiti Tun Hussien Onn Malaysia (UTHM) 86400, Parit Raja, Batu, Johor (Malaysia); Tajudin, Saiful Azhar Ahmad [Research Centre for Soft Soils (RECESS), Office for Research, Innovation, Commercialization and Consultancy Management (ORICC), Universiti Tun Hussien Onn Malaysia UTHM 86400, Parit Raja, Batu, Johor (Malaysia); Sahdan, Mohd Zainizan [Microelectronics and Nanotechnology Centre (MiNT-SRC), Office for Research, Innovation, Commercialization and Consultancy Management (ORICC), Universiti Tun Hussien Onn Malaysia UTHM 86400, Parit Raja, Batu, Johor (Malaysia)

    2015-04-29

    Electrokinetic (EK) remediation relies upon application of a low-intensity direct current through the soil between stainless steel electrodes that are divided into a cathode array and an anode array. This mobilizes charged species, causing ions and water to move toward the electrodes. Metal ions and positively charged organic compounds move toward the cathode. Anions such as chloride, fluoride, nitrate, and negatively charged organic compounds move toward the anode. Here, this remediation techniques lead to a formation of a deposition at the both cathode and anode surface that mainly contributed byanion and cation from the remediated soil. In this research, Renggam-Jerangau soil species (HaplicAcrisol + RhodicFerralsol) with a surveymeter reading of 38.0 ± 3.9 μR/hr has been investigation in order to study the mobility of the anion and cation under the influence electric field. Prior to the EK treatment, the elemental composition of the soil and the stainless steel electrode are measured using XRF analyses. Next, the soil sample is remediated at a constant electric potential of 30 V within an hour of treatment period. A surface study for the deposition layer of the cathode and anode using X-ray Photoelectron spectroscopy (XPS) revealed that a narrow photoelectron signal from oxygen O 1s, carbon, C 1s silica, Si 2p, aluminium, Al 2p and chromium, Cr 2p exhibited on the electrode surface and indicate that a different in photoelectron intensity for each element on both electrode surface. In this paper, the mechanism of Si{sup 2+} and Al{sup 2+} cation mobility under the influence of voltage potential between the cathode and anode will be discussed in detail.

  12. Surface study of stainless steel electrode deposition from soil electrokinetic (EK) treatment using X-ray photoelectron spectroscopy (XPS)

    International Nuclear Information System (INIS)

    Embong, Zaidi; Johar, Saffuwan; Tajudin, Saiful Azhar Ahmad; Sahdan, Mohd Zainizan

    2015-01-01

    Electrokinetic (EK) remediation relies upon application of a low-intensity direct current through the soil between stainless steel electrodes that are divided into a cathode array and an anode array. This mobilizes charged species, causing ions and water to move toward the electrodes. Metal ions and positively charged organic compounds move toward the cathode. Anions such as chloride, fluoride, nitrate, and negatively charged organic compounds move toward the anode. Here, this remediation techniques lead to a formation of a deposition at the both cathode and anode surface that mainly contributed byanion and cation from the remediated soil. In this research, Renggam-Jerangau soil species (HaplicAcrisol + RhodicFerralsol) with a surveymeter reading of 38.0 ± 3.9 μR/hr has been investigation in order to study the mobility of the anion and cation under the influence electric field. Prior to the EK treatment, the elemental composition of the soil and the stainless steel electrode are measured using XRF analyses. Next, the soil sample is remediated at a constant electric potential of 30 V within an hour of treatment period. A surface study for the deposition layer of the cathode and anode using X-ray Photoelectron spectroscopy (XPS) revealed that a narrow photoelectron signal from oxygen O 1s, carbon, C 1s silica, Si 2p, aluminium, Al 2p and chromium, Cr 2p exhibited on the electrode surface and indicate that a different in photoelectron intensity for each element on both electrode surface. In this paper, the mechanism of Si 2+ and Al 2+ cation mobility under the influence of voltage potential between the cathode and anode will be discussed in detail

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

    Energy Technology Data Exchange (ETDEWEB)

    Voss, Stefan

    2011-07-01

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

  14. Levels of Valence

    Science.gov (United States)

    Shuman, Vera; Sander, David; Scherer, Klaus R.

    2013-01-01

    The distinction between the positive and the negative is fundamental in our emotional life. In appraisal theories, in particular in the component process model of emotion (Scherer, 1984, 2010), qualitatively different types of valence are proposed based on appraisals of (un)pleasantness, goal obstructiveness/conduciveness, low or high power, self-(in)congruence, and moral badness/goodness. This multifaceted conceptualization of valence is highly compatible with the frequent observation of mixed feelings in real life. However, it seems to contradict the one-dimensional conceptualization of valence often encountered in psychological theories, and the notion of valence as a common currency used to explain choice behavior. Here, we propose a framework to integrate the seemingly disparate conceptualizations of multifaceted valence and one-dimensional valence by suggesting that valence should be conceived at different levels, micro and macro. Micro-valences correspond to qualitatively different types of evaluations, potentially resulting in mixed feelings, whereas one-dimensional macro-valence corresponds to an integrative “common currency” to compare alternatives for choices. We propose that conceptualizing levels of valence may focus research attention on the mechanisms that relate valence at one level (micro) to valence at another level (macro), leading to new hypotheses, and addressing various concerns that have been raised about the valence concept, such as the valence-emotion relation. PMID:23717292

  15. Atom spectroscopy

    International Nuclear Information System (INIS)

    Kodling, K.

    1981-01-01

    Experiments on atom photoabsorption spectroscopy using synchrotron radiation in the 10-1000 eV range are reviewed. Properties of the necessary synchrotron radiation and the experiment on absorption spectroscopy are briefly described. Comparison with other spectroscopy methods is conducted. Some data on measuring photoabsorption, photoelectron emission and atom mass spectra are presented [ru

  16. CHARACTERIZING SURFACE LAYERS IN NITINOL USING X-RAY PHOTOELECTRON SPECTROSCOPY

    Energy Technology Data Exchange (ETDEWEB)

    Christopfel, R.; Mehta, A.

    2008-01-01

    Nitinol is a shape memory alloy whose properties allow for large reversible deformations and a return to its original geometry. This nickel-titanium (NiTi) alloy has become a material used widely in the biomedical fi eld as a stent to open up collapsed arteries. Both ambient and biological conditions cause surface oxidation in these devices which in turn change its biocompatibility. The thickness of oxidized layers can cause fractures in the material if too large and can allow for penetration if too thin. Depending on the type and abundance of the chemical species on or near the surface, highly toxic metal ions can leak into the body causing cell damage or even cell death. Thus, biocompatibility of such devices is crucial. By using highly surface sensitive x-ray photoelectron spectroscopy to probe the surface of these structures, it is possible to decipher both layer composition and layer thickness. Two samples, both of which were mechanically polished, were investigated. Of the two samples, one was then exposed to a phosphate buffered saline (PBS) solution to mimic the chemical properties of blood, while the other remained unexposed. Although both samples were found to have oxide layers of appropriate thickness (on the order of a few nm), it was found that the sample exposed to the saline solution had a slightly thicker oxide layer and more signifi cantly, a phosphate layer very near the surface suggesting toxic metal components are well contained within the sample. These are considerable indications of a biocompatible device.

  17. X-ray photoelectron spectroscopy investigation of the carburization of 310 stainless steel

    International Nuclear Information System (INIS)

    Tabet, N.; Allam, I.; Yin, R.C.

    2003-01-01

    The surface of 310 stainless steel (310SS) samples was investigated by X-ray photoelectron spectroscopy (XPS) after 500 h cyclic exposure to two carburizing atmospheres: CH 4 (2%)-H 2 (98%) at 800 deg. C, and CH 4 (10%)-H 2 (90%) at 1100 deg. C. The depth distribution of various elements in the surface region was obtained by XPS after successive cycles of argon etching. The microstructure of the alloy was observed by scanning electron microscopy (SEM) and the phases formed during the exposure were analyzed by X-ray diffraction (XRD). The results showed that the major phases that were formed within few micrometer depth during exposure at 800 deg. C include both iron and chromium carbides. (Mn, Cr) oxide was also formed as a result of the reaction with the residual oxygen of the atmosphere. A region of few microns width that was relatively depleted of chromium was formed under the surface as a result of the outwards diffusion of chromium. The exposure to the reducing atmosphere at 1100 deg. C led to the formation of various iron and chromium carbides. No oxide was formed during exposure. In all exposed samples, the surface was Cr enriched while nickel remained buried under the surface region that reacted with the atmosphere

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-04-15

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

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

    Energy Technology Data Exchange (ETDEWEB)

    Laukkanen, P., E-mail: pekka.laukkanen@utu.fi [Department of Physics and Astronomy, University of Turku, FI-20014 Turku (Finland); Punkkinen, M.P.J., E-mail: marko.punkkinen@utu.fi [Department of Physics and Astronomy, University of Turku, FI-20014 Turku (Finland); Lahti, A. [Department of Physics and Astronomy, University of Turku, FI-20014 Turku (Finland); Puustinen, J. [Optoelectronics Research Centre, Tampere University of Technology, FI-33101 Tampere (Finland); Tuominen, M. [Department of Physics and Astronomy, University of Turku, FI-20014 Turku (Finland); Hilska, J. [Optoelectronics Research Centre, Tampere University of Technology, FI-33101 Tampere (Finland); Mäkelä, J.; Dahl, J.; Yasir, M. [Department of Physics and Astronomy, University of Turku, FI-20014 Turku (Finland); Kuzmin, M. [Department of Physics and Astronomy, University of Turku, FI-20014 Turku (Finland); Ioffe Physical-Technical Institute, Russian Academy of Sciences, St. Petersburg 194021, Russian Federation (Russian Federation); Osiecki, J.R.; Schulte, K. [The MAX IV laboratory, P. O. Box 118, Lund University, SE-221 00 Lund (Sweden); Guina, M. [Optoelectronics Research Centre, Tampere University of Technology, FI-33101 Tampere (Finland); Kokko, K. [Department of Physics and Astronomy, University of Turku, FI-20014 Turku (Finland)

    2017-02-28

    Highlights: • XPS is used to study bulk-like properties of GaAsBi crystals. • Surface effects are removed from XPS signal by an epitaxial AlAs cap film. • Local variation of Bi composition is found. • The result is consistent with photoluminescence and theoretical results. • Ga vacancies and Bi crystallites are suggested to be dominating defects. - Abstract: Epitaxial Bi-containing III–V crystals (III-V{sub 1-x}Bi{sub x}) have attracted increasing interest due to their potential in infrared applications. Atomic-scale characterization and engineering of bulk-like III-V{sub 1-x}Bi{sub x} properties (e.g., Bi incorporation and defect formation) are challenging but relevant to develop applications. Toward that target, we report here that the traditional surface-science measurement of photoelectron spectroscopy (PES) is a potential, non-destructive method to be combined in the studies of bulk-like properties, when surface effects are properly removed. We have investigated epitaxial GaAs{sub 1-x}Bi{sub x} films, capped by epitaxial AlAs layers, with high-resolution photoelectron spectroscopy. The Bi5d core-level spectra of GaAs{sub 1-x}Bi{sub x} together with ab-initio calculations give direct evidence of variation of Bi bonding environment in the lattice sites. The result agrees with photoluminescence (PL) measurement which shows that the studied GaAs{sub 1-x}Bi{sub x} films include local areas with higher Bi content, which contribute to PL but do not readily appear in x-ray diffraction (XRD). The measured and calculated Bi core-level shifts show also that Ga vacancies and Bi clusters are dominant defects.

  20. Investigation of electron momentum distributions for outer valence orbitals of trichlorofluoromethane by (e, 2e) electron momentum spectroscopy

    International Nuclear Information System (INIS)

    Zhou, L.X.; Shan, X.; Chen, X.J.; Yin, X.F.; Zhang, X.H.; Xu, C.K.; Wei, Z.; Xu, K.Z.

    2006-01-01

    The binding energy spectra and electron momentum distributions for the outer valence orbitals of trichlorofluoromethane (CFCl 3 ) have been measured by binary (e, 2e) electron momentum spectroscopy (EMS) at an impact energy of 1200 eV + binding energy. The experimental electron momentum profiles are compared with Hartree-Fock and density functional theory (DFT) calculations with different-sized basis sets. Generally, the DFT calculations employing B3LYP functional with large basis sets of AUG-cc-pVDZ and AUG-cc-pVTZ give better description of the experimental results. But for 3e orbital, all the theoretical calculations underestimate the experiment, which is probably due to the distorted-wave effect that often occurs in π*-like molecular orbital

  1. Surface chemical composition of human maxillary first premolar as assessed by X-ray photoelectron spectroscopy (XPS)

    Science.gov (United States)

    Lou, Leo; Nelson, Alan E.; Heo, Giseon; Major, Paul W.

    2008-08-01

    The surface chemical composition of dental enamel has been postulated as a contributing factor in the variation of bond strength of brackets bonded to teeth, and hence, the probability of bracket failure during orthodontic treatment. This study systematically investigated the chemical composition of 98 bonding surfaces of human maxillary premolars using X-ray photoelectron spectroscopy (XPS) to ascertain compositional differences between right and left first premolars. The major elements detected in all samples were calcium, phosphorus, oxygen, nitrogen and carbon. Surface compositions were highly variable between samples and several elements were found to be highly correlated. No statistical significant difference in the chemical composition of the maxillary right and left first premolars was found ( p > 0.05). Knowledge of the chemical composition of enamel surfaces will facilitate future studies that relate this information to the variations in dental enamel bond strength.

  2. Surface chemical composition of human maxillary first premolar as assessed by X-ray photoelectron spectroscopy (XPS)

    Energy Technology Data Exchange (ETDEWEB)

    Lou, Leo [Orthodontic Graduate Program, Faculty of Medicine and Dentistry, University of Alberta (Canada); Nelson, Alan E. [Department of Chemical and Materials Engineering, University of Alberta (Canada)], E-mail: aenelson@dow.com; Heo, Giseon [Department of Statistics, Department of Dentistry, University of Alberta (Canada); Major, Paul W. [Orthodontic Graduate Program, Faculty of Medicine and Dentistry, University of Alberta (Canada)

    2008-08-30

    The surface chemical composition of dental enamel has been postulated as a contributing factor in the variation of bond strength of brackets bonded to teeth, and hence, the probability of bracket failure during orthodontic treatment. This study systematically investigated the chemical composition of 98 bonding surfaces of human maxillary premolars using X-ray photoelectron spectroscopy (XPS) to ascertain compositional differences between right and left first premolars. The major elements detected in all samples were calcium, phosphorus, oxygen, nitrogen and carbon. Surface compositions were highly variable between samples and several elements were found to be highly correlated. No statistical significant difference in the chemical composition of the maxillary right and left first premolars was found (p > 0.05). Knowledge of the chemical composition of enamel surfaces will facilitate future studies that relate this information to the variations in dental enamel bond strength.

  3. Surface chemical composition of human maxillary first premolar as assessed by X-ray photoelectron spectroscopy (XPS)

    International Nuclear Information System (INIS)

    Lou, Leo; Nelson, Alan E.; Heo, Giseon; Major, Paul W.

    2008-01-01

    The surface chemical composition of dental enamel has been postulated as a contributing factor in the variation of bond strength of brackets bonded to teeth, and hence, the probability of bracket failure during orthodontic treatment. This study systematically investigated the chemical composition of 98 bonding surfaces of human maxillary premolars using X-ray photoelectron spectroscopy (XPS) to ascertain compositional differences between right and left first premolars. The major elements detected in all samples were calcium, phosphorus, oxygen, nitrogen and carbon. Surface compositions were highly variable between samples and several elements were found to be highly correlated. No statistical significant difference in the chemical composition of the maxillary right and left first premolars was found (p > 0.05). Knowledge of the chemical composition of enamel surfaces will facilitate future studies that relate this information to the variations in dental enamel bond strength

  4. Spectroscopy

    CERN Document Server

    Walker, S

    1976-01-01

    The three volumes of Spectroscopy constitute the one comprehensive text available on the principles, practice and applications of spectroscopy. By giving full accounts of those spectroscopic techniques only recently introduced into student courses - such as Mössbauer spectroscopy and photoelectron spectroscopy - in addition to those techniques long recognised as being essential in chemistry teaching - sucha as e.s.r. and infrared spectroscopy - the book caters for the complete requirements of undergraduate students and at the same time provides a sound introduction to special topics for graduate students.

  5. Utilization of the statistics techniques for the analysis of the XPS (X-ray photoelectron spectroscopy) and Auger electronic spectra's deconvolutions

    International Nuclear Information System (INIS)

    Puentes, M.B.

    1987-01-01

    For the analysis of the XPS (X-ray photoelectron spectroscopy) and Auger spectra, it is important to performe the peaks' separation and estimate its intensity. For this purpose, a methodology was implemented, including: a spectrum's filter; b) substraction of the base line (or inelastic background); c) deconvolution (separation of the distribution that integrates the spectrum) and d) error of calculation of the mean estimation, comprising adjustment quality tests. A software (FORTRAN IV plus) that permits to use the methodology proposed from the experimental spectra was implemented. The quality of the methodology was tested with simulated spectra. (Author) [es

  6. Valence configurations in 214Rn

    International Nuclear Information System (INIS)

    Dracoulis, G.D.; Byrne, A.P.; Stuchbery, A.E.; Bark, R.A.; Poletti, A.R.

    1987-01-01

    Excited states of 214 Rn, up to spins of ≅ 24 ℎ have been studied using γ-ray and electron spectroscopy following the 208 Pb( 9 Be,3n) 214 Rn reaction. The level scheme (which differs substantially from earlier work) is compared with the results of a semi-empirical shell model calculation. The availability of high-spin orbitals for the four valence protons and two valence neutrons, and the effect of the attractive proton-neutron interaction, leads to the prediction of high-spin states at an unusually low excitation energy. Experimentally, the high level density leads to difficulties in the level scheme assignments at high spin. Nevertheless, configuration assignments, supported by transition strengths deduced from the measured lifetimes (in the nanosecond region) are suggested for the main yrast states. The decay properties also suggest that configuration mixing is important. The possibility of a gradual transition to octupole deformation, implied by the decay properties of the 11 - and 10 + yrast states is also discussed. (orig.)

  7. Core level photoemission spectroscopy and chemical bonding in Sr2Ta2O7

    DEFF Research Database (Denmark)

    Atuchin, V. V.; Grivel, Jean-Claude; Zhang, Z. M.

    2009-01-01

    Electronic parameters of constituent element core levels of strontium pyrotantalate (Sr2Ta2O7) were measured with X-ray photoelectron spectroscopy (XPS). The Sr2Ta2O7 powder sample was synthesized using standard solid state method. The valence electron transfer on the formation of the Sr-O and Ta......-O bonds was characterized by the binding energy differences between the O 1s and cation core levels, Delta(O-Sr) = BE(O 1s) - BE(Sr 3d(5/2)) and Delta(O-Ta) = BE(O 1s) - BE(Ta 4f(7/2)). The chemical bonding effects were considered on the basis of our XPS results for Sr2Ta2O7 and earlier published...

  8. A UniChem and electron momentum spectroscopy investigations into the valence electronic structure of trans 1,3 butadiene

    Energy Technology Data Exchange (ETDEWEB)

    Michalewicz, M.T. [CSIRO, Supercomputing Support Group, Carlton, VIC (Australia). Division of Information Technology; Winkler, D.A. [Commonwealth Scientific and Industrial Research Organisation (CSIRO), Clayton, VIC (Australia). Div. of Chemical Physics; Brunger, M.J.; McCarthy, L.E. [Flinders Univ. of South Australia, Bedford Park, SA (Australia). School of Physical Sciences; Von Niessen, W. [Flinders Univ. of South Australia, Bedford Park, SA (Australia). School of Physical Sciences

    1996-09-01

    The experimental (e,2e) coincidence spectroscopy, known as electron momentum spectroscopy (EMS) was applied to the trans 1,3 butadiene (C{sub 4}H{sub 6}) molecule with detailed binding energy spectra and orbital momentum distributions (MDs) being measured. A small selection of this data is presented. The usage of UniChem computational chemistry codes for the Flinders-developed AMOLD program allows to calculate theoretical MDs for each orbital, to help elucidate the valence electronic structure of butadiene. The results of the many-body Green`s function calculation is also presented, to the ADC(3) level, for the binding energies and spectroscopic factors of the respective orbitals of C{sub 4}H{sub 6}. A critical comparison between the experimental and theoretical MDs allows to determine the optimum wavefunction from the basis sets studied. The determination of the wavefunction then allows to make further use of the UniChem package to derive butadiene`s chemically interesting molecular properties. A summary of these results and comparison of them with the previous results of other workers is presented. 23 refs., 2 tabs., 2 figs.

  9. A UniChem and electron momentum spectroscopy investigations into the valence electronic structure of trans 1,3 butadiene

    International Nuclear Information System (INIS)

    Michalewicz, M.T.; Winkler, D.A.; Brunger, M.J.; McCarthy, L.E.; Von Niessen, W.

    1996-09-01

    The experimental (e,2e) coincidence spectroscopy, known as electron momentum spectroscopy (EMS) was applied to the trans 1,3 butadiene (C 4 H 6 ) molecule with detailed binding energy spectra and orbital momentum distributions (MDs) being measured. A small selection of this data is presented. The usage of UniChem computational chemistry codes for the Flinders-developed AMOLD program allows to calculate theoretical MDs for each orbital, to help elucidate the valence electronic structure of butadiene. The results of the many-body Green's function calculation is also presented, to the ADC(3) level, for the binding energies and spectroscopic factors of the respective orbitals of C 4 H 6 . A critical comparison between the experimental and theoretical MDs allows to determine the optimum wavefunction from the basis sets studied. The determination of the wavefunction then allows to make further use of the UniChem package to derive butadiene's chemically interesting molecular properties. A summary of these results and comparison of them with the previous results of other workers is presented. 23 refs., 2 tabs., 2 figs

  10. X-ray photoelectron spectroscopy study and thermoelectric properties of Al-doped ZnO thin films

    International Nuclear Information System (INIS)

    Li Li; Fang Liang; Zhou Xianju; Liu Ziyi; Zhao Liang; Jiang Sha

    2009-01-01

    In this paper, high quality Al-doped ZnO (AZO) thin films were prepared by direct current (DC) reactive magnetron sputtering using a Zn target (99.99%) containing Al of 1.5 wt.%. The films obtained were characterized by X-ray photoelectron spectroscopy (XPS) and thermoelectric measurements. The XPS results reveal that Zn and Al exist only in oxidized state, while there are dominant crystal lattice and rare adsorbed oxygen for O in the annealed AZO thin films. The studies of thermoelectric property show a striking thermoelectric effect in the AZO thin films. On the one hand, the thermoelectromotive and magnetothermoelectromotive forces increase linearly with increasing temperature difference (ΔT). On the other hand, the thermoelectric power (TEP) decreases with the electrical resistance of the sample. But the TEP increases with the increase of temperature below 300 K, and it nearly does not change around room temperature. The experimental results also demonstrate that the annealing treatment increases TEP, while the external magnetic field degrades TEP.

  11. Isotope effect on hydrated electron relaxation dynamics studied with time-resolved liquid jet photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Elkins, Madeline H.; Williams, Holly L. [Department of Chemistry, University of California, Berkeley, California 94720 (United States); Neumark, Daniel M., E-mail: dneumark@berkeley.edu [Department of Chemistry, University of California, Berkeley, California 94720 (United States); Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States)

    2016-05-14

    The excited state relaxation dynamics of the solvated electron in H{sub 2}O and D{sub 2}O are investigated using time-resolved photoelectron spectroscopy in a liquid microjet. The data show that the initial excited state decays on a time scale of 75 ± 12 fs in H{sub 2}O and 102 ± 8 fs in D{sub 2}O, followed by slower relaxation on time scales of 400 ± 70 fs and 390 ± 70 fs that are isotopically invariant within the precision of our measurements. Based on the time evolution of the transient signals, the faster and slower time constants are assigned to p → s internal conversion (IC) of the hydrated electron and relaxation on the ground electronic state, respectively. This assignment is consistent with the non-adiabatic mechanism for relaxation of the hydrated electron and yields an isotope effect of 1.4 ± 0.2 for IC of the hydrated electron.

  12. Isotope effect on hydrated electron relaxation dynamics studied with time-resolved liquid jet photoelectron spectroscopy

    Science.gov (United States)

    Elkins, Madeline H.; Williams, Holly L.; Neumark, Daniel M.

    2016-05-01

    The excited state relaxation dynamics of the solvated electron in H2O and D2O are investigated using time-resolved photoelectron spectroscopy in a liquid microjet. The data show that the initial excited state decays on a time scale of 75 ± 12 fs in H2O and 102 ± 8 fs in D2O, followed by slower relaxation on time scales of 400 ± 70 fs and 390 ± 70 fs that are isotopically invariant within the precision of our measurements. Based on the time evolution of the transient signals, the faster and slower time constants are assigned to p → s internal conversion (IC) of the hydrated electron and relaxation on the ground electronic state, respectively. This assignment is consistent with the non-adiabatic mechanism for relaxation of the hydrated electron and yields an isotope effect of 1.4 ± 0.2 for IC of the hydrated electron.

  13. X-Ray photoelectron spectroscopy and diffractometry of MnOx catalysts: surface to bulk composition relationships

    International Nuclear Information System (INIS)

    Zaki, M.I.; Kappenstein, C.

    1992-01-01

    Surface and bulk analyses of variously-composed, synthetic MnO x catalysts were carried out by means of X-ray photoelectron spectroscopy (XPS) and diffractometry (XRD), respectively. The data obtained were processed for a comprehensive assessment of bulk and surface compositions, surface oxidation state, and crystalline size. The XPS data processing revealed that a credible assessment of the surface composition (MnO x (OH) y (OH 2 ) z necessitates: (i) the implementation of experimental sensitivity factors determined on a local reference surface maintaining a close chemical similarity to the test materials, and (ii) the fine evaluation of contributions of various oxygen-containing surface species to the O 1s electron emission. The most prominent result of the present investigation is that the exposure of the bulk composition at the surface is quite proportioned. Such a surface to bulk intimacy is thought to enable genesizing the surface composition appropriate for certain catalytic and selectivity, via a possible control over the bulk formation events. (orig.)

  14. Probing hot-electron effects in wide area plasmonic surfaces using X-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Ayas, Sencer; Cupallari, Andi; Dana, Aykutlu, E-mail: aykutlu@unam.bilkent.edu.tr [UNAM Institute of Materials Science and Nanotechnology, Bilkent University, 06800 Ankara (Turkey)

    2014-12-01

    Plasmon enhanced hot carrier formation in metallic nanostructures increasingly attracts attention due to potential applications in photodetection, photocatalysis, and solar energy conversion. Here, hot-electron effects in nanoscale metal-insulator-metal (MIM) structures are investigated using a non-contact X-ray photoelectron spectroscopy based technique using continuous wave X-ray and laser excitations. The effects are observed through shifts of the binding energy of the top metal layer upon excitation with lasers of 445, 532, and 650 nm wavelength. The shifts are polarization dependent for plasmonic MIM grating structures fabricated by electron beam lithography. Wide area plasmonic MIM surfaces fabricated using a lithography free route by the dewetting of evaporated Ag on HfO{sub 2} exhibit polarization independent optical absorption and surface photovoltage. Using a simple model and making several assumptions about the magnitude of the photoemission current, the responsivity and external quantum efficiency of wide area plasmonic MIM surfaces are estimated as 500 nA/W and 11 × 10{sup −6} for 445 nm illumination.

  15. Simulating Ru L3-edge X-ray absorption spectroscopy with time-dependent density functional theory: model complexes and electron localization in mixed-valence metal dimers.

    Science.gov (United States)

    Van Kuiken, Benjamin E; Valiev, Marat; Daifuku, Stephanie L; Bannan, Caitlin; Strader, Matthew L; Cho, Hana; Huse, Nils; Schoenlein, Robert W; Govind, Niranjan; Khalil, Munira

    2013-05-30

    Ruthenium L3-edge X-ray absorption (XA) spectroscopy probes unoccupied 4d orbitals of the metal atom and is increasingly being used to investigate the local electronic structure in ground and excited electronic states of Ru complexes. The simultaneous development of computational tools for simulating Ru L3-edge spectra is crucial for interpreting the spectral features at a molecular level. This study demonstrates that time-dependent density functional theory (TDDFT) is a viable and predictive tool for simulating ruthenium L3-edge XA spectroscopy. We systematically investigate the effects of exchange correlation functional and implicit and explicit solvent interactions on a series of Ru(II) and Ru(III) complexes in their ground and electronic excited states. The TDDFT simulations reproduce all of the experimentally observed features in Ru L3-edge XA spectra within the experimental resolution (0.4 eV). Our simulations identify ligand-specific charge transfer features in complicated Ru L3-edge spectra of [Ru(CN)6](4-) and Ru(II) polypyridyl complexes illustrating the advantage of using TDDFT in complex systems. We conclude that the B3LYP functional most accurately predicts the transition energies of charge transfer features in these systems. We use our TDDFT approach to simulate experimental Ru L3-edge XA spectra of transition metal mixed-valence dimers of the form [(NC)5M(II)-CN-Ru(III)(NH3)5](-) (where M = Fe or Ru) dissolved in water. Our study determines the spectral signatures of electron delocalization in Ru L3-edge XA spectra. We find that the inclusion of explicit solvent molecules is necessary for reproducing the spectral features and the experimentally determined valencies in these mixed-valence complexes. This study validates the use of TDDFT for simulating Ru 2p excitations using popular quantum chemistry codes and providing a powerful interpretive tool for equilibrium and ultrafast Ru L3-edge XA spectroscopy.

  16. Direct determination of exciton wavefunction amplitudes by the momentum-resolved photo-electron emission experiment

    Science.gov (United States)

    Ohnishi, Hiromasa; Tomita, Norikazu; Nasu, Keiichiro

    2018-03-01

    We study conceptional problems of a photo-electron emission (PEE) process from a free exciton in insulating crystals. In this PEE process, only the electron constituting the exciton is suddenly emitted out of the crystal, while the hole constituting the exciton is still left inside and forced to be recoiled back to its original valence band. This recoil on the hole is surely reflected in the spectrum of the PEE with a statistical distribution along the momentum-energy curve of the valence band. This distribution is nothing but the square of the exciton wavefunction amplitude, since it shows how the electron and the hole are originally bound together. Thus, the momentum-resolved PEE can directly determine the exciton wavefunction. These problems are clarified, taking the Γ and the saddle point excitons in GaAs, as typical examples. New PEE experiments are also suggested.

  17. The Pr 2O 3/Si(0 0 1) interface studied by synchrotron radiation photo-electron spectroscopy

    Science.gov (United States)

    Schmeißer, D.; Müssig, H.-J.

    2003-10-01

    Pr 2O 3 is currently under consideration as a potential replacement for SiO 2 as the gate-dielectric material for sub-0.1 μm complementary metal-oxide-semiconductor (CMOS) technology. We studied the Pr 2O 3/Si(0 0 1) interface by a non-destructive depth profiling using synchrotron radiation photoelectron spectroscopy. Our data suggests that there is no silicide formation at the interface. Based on reported results, a chemical reactive interface exists, consisting of a mixed Si-Pr oxide such as (Pr 2O 3) x(SiO 2) 1- x, i.e. as a silicate phase with variable silicon content. This pseudo-binary alloy at the interface offers large flexibility toward successful integration of Pr 2O 3 into future CMOS technologies.

  18. Reply to Isgur's comments on valence QCD

    International Nuclear Information System (INIS)

    Liu, K.F.

    2000-01-01

    With the goal of understanding the complexity of QCD and the role of symmetry in dynamics, the authors studied a field theory called Valence QCD (VQCD) in which the Z graphs are forbidden so that the Fock space is limited to the valence quarks. The authors calculated nucleon form factors, matrix elements, and hadron masses both with this theory and with quenched QCD on a set of lattices with the same gauge background. Comparing the results of the lattice calculations in these two theories, the authors drew conclusions regarding the SU(6) valence quark model and chiral symmetry. While recognizing the goal of VQCD, Nathan Isgur disagrees on some of the conclusions the authors have drawn. The foremost objection raised in section 2 is to their suggestion that the major part of the hyperfine splittings in baryons is due to Goldstone boson exchange and not one-gluon-exchange (OGE) interactions. The logic of Isgur's objection is that VQCD yields a spectroscopy vastly different from quenched QCD and therefore the structure of the hadrons (to which hyperfine splittings in a quark model are intimately tied) is also suspect so no definite conclusions are possible. To put this into perspective it should be emphasized at the outset that spectroscopy is only one aspect of hadron physics examined in section 1. The authors have studied the axial and scalar couplings of nucleon in terms of F A /D A and F S /D S , the neutron to proton magnetic moment ratio μn/μp, and various form factors. None of these results reveal any pathologies of hadron structure and turn out to be close to the SU(6) relations, as expected. In fact this is what motivated the study of valence degrees of freedom via VQCD. In section 2 the authors address specific issues related to spectroscopy in VQCD. Isgur also presented more general arguments against the idea of boson exchange as a contributor to hyperfine effects. A cornerstone of his discussion is the unifying aspect of OGE in a quark model picture. The

  19. Angular Correlation between Photoelectrons and Auger Electrons from K-Shell Ionization of Neon

    International Nuclear Information System (INIS)

    Landers, A. L.; Robicheaux, F.; Bhandary, A.; Jahnke, T.; Schoeffler, M.; Titze, J.; Akoury, D.; Doerner, R.; Osipov, T.; Lee, S. Y.; Adaniya, H.; Hertlein, M.; Weber, Th.; Prior, M. H.; Belkacem, A.; Ranitovic, P.; Bocharova, I.; Cocke, C. L.

    2009-01-01

    We have used cold target recoil ion momentum spectroscopy to study the continuum correlation between the photoelectron of core-photoionized neon and the subsequent Auger electron. We observe a strong angular correlation between the two electrons. Classical trajectory Monte Carlo calculations agree quite well with the photoelectron energy distribution that is shifted due to the potential change associated with Auger decay. However, a striking discrepancy results in the distribution of the relative angle between Auger and photoelectron. The classical model predicts a shift in photoelectron flux away from the Auger emission direction, and the data strikingly reveal that the flux is lost rather than diverted, indicating that the two-step interpretation of photoionization followed by Auger emission is insufficient to fully describe the core-photoionization process.

  20. Band offset in zinc oxy-sulfide/cubic-tin sulfide interface from X-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Sanal, K.C.; Nair, P.K.; Nair, M.T.S., E-mail: mtsn@ier.unam.mx

    2017-02-28

    Highlights: • Zinc oxy-sulfide thin films, 175–240 nm, deposited by rf-sputtering from targets of ZnO + ZnS. • Oxygen content in thin films is enhanced 3–4 times compared with that in ZnO:ZnS targets. • Thin film ZnO{sub x}S{sub 1−x} with x = 0.88–0.27 and optical band gap 2.8–3.2 eV is suitable for solar cells. • The conduction band offset with SnS of cubic structure studied by XPS are +0.41 to −0.28 eV. - Abstract: Zinc oxy-sulfide, ZnO{sub x}S{sub 1−x}, has been found to provide better band alignment in thin film solar cells of tin sulfide of orthorhombic crystalline structure. Here we examine ZnO{sub x}S{sub 1−x}/SnS-CUB interface, in which the ZnO{sub x}S{sub 1−x} thin film was deposited by radio frequency (rf) magnetron sputtering on SnS thin film of cubic (CUB) crystalline structure with a band gap (E{sub g}) of 1.72 eV, obtained via chemical deposition. X-ray photoelectron spectroscopy provides the valence band maxima of the materials and hence places the conduction band offset of 0.41 eV for SnS-CUB/ZnO{sub 0.27}S{sub 0.73} and −0.28 eV for SnS-CUB/ZnO{sub 0.88}S{sub 0.12} interfaces. Thin films of ZnO{sub x}S{sub 1−x} with 175–240 nm in thickness were deposited from targets prepared with different ZnO to ZnS molar ratios. With the target of molar ratio of 1:13.4, the thin films are of composition ZnO{sub 0.27}S{sub 0.73} with hexagonal crystalline structure and with that of 1:1.7 ratio, it is ZnO{sub 0.88}S{sub 0.12}. The optical band gap of the ZnO{sub x}S{sub 1−x} thin films varies from 2.90 eV to 3.21 eV as the sulfur to zinc ratio in the film increases from 0.12:1 to 0.73:1 as determined from X-ray diffraction patterns. Thus, band offsets sought for absorber materials and zinc oxy-sulfide in solar cells may be achieved through a choice of ZnO:ZnS ratio in the sputtering target.

  1. Soft x-ray spectroscopy optimisation for the direct determination of valence

    International Nuclear Information System (INIS)

    Wison, N.C.; MacRae, C.M.; Nelson, S.

    2002-01-01

    Full text: Measuring the valence of elements and mapping their occurrence throughout a sample can give important insights into the chemistry of complex systems. The toxic nature of Cr 6+ gives great concern over its disposal in the environment. Being able to resolve Cr 6+ from Cr 3+ allows us to tackle these important problems. The electron probe micro-analyser (EPMA) is routinely used to provide micron resolution chemical analysis. However it is often possible to resolve changes in soft X-ray peak shape and position that reflect changes in the chemical state and crystal structure. A soft x-rays is usually considered to be one of less than 1.5 keV in energy In this study we have compared a range of Cr containing compounds, and measured the differences in the Cr Lα line. In some samples, the Cr L line can be 'relatively weak, so to maximise its excitation probability, a set of Monte Carlo simulations were performed using the CASINO V2.0 package and the most efficient excitation voltage was determined. We also investigate the soft x-ray spectroscopy using electronic structure calculations to produce theoretical Density of States (DOS) for comparison with the measured spectra. The theoretical calculations can aid in understanding spectrum shape and polarisation of the soft x-ray signal in unknown samples, when a full range of standards is not available. Copyright (2002) Australian Society for Electron Microscopy Inc

  2. Band Offset Measurements in Atomic-Layer-Deposited Al2O3/Zn0.8Al0.2O Heterojunction Studied by X-ray Photoelectron Spectroscopy.

    Science.gov (United States)

    Yan, Baojun; Liu, Shulin; Heng, Yuekun; Yang, Yuzhen; Yu, Yang; Wen, Kaile

    2017-12-01

    Pure aluminum oxide (Al 2 O 3 ) and zinc aluminum oxide (Zn x Al 1-x O) thin films were deposited by atomic layer deposition (ALD). The microstructure and optical band gaps (E g ) of the Zn x Al 1-x O (0.2 ≤ x ≤ 1) films were studied by X-ray diffractometer and Tauc method. The band offsets and alignment of atomic-layer-deposited Al 2 O 3 /Zn 0.8 Al 0.2 O heterojunction were investigated in detail using charge-corrected X-ray photoelectron spectroscopy. In this work, different methodologies were adopted to recover the actual position of the core levels in insulator materials which were easily affected by differential charging phenomena. Valence band offset (ΔE V ) and conduction band offset (ΔE C ) for the interface of the Al 2 O 3 /Zn 0.8 Al 0.2 O heterojunction have been constructed. An accurate value of ΔE V  = 0.82 ± 0.12 eV was obtained from various combinations of core levels of heterojunction with varied Al 2 O 3 thickness. Given the experimental E g of 6.8 eV for Al 2 O 3 and 5.29 eV for Zn 0.8 Al 0.2 O, a type-I heterojunction with a ΔE C of 0.69 ± 0.12 eV was found. The precise determination of the band alignment of Al 2 O 3 /Zn 0.8 Al 0.2 O heterojunction is of particular importance for gaining insight to the design of various electronic devices based on such heterointerface.

  3. X-ray Photoelectron Spectroscopy as a tool to investigate silane-based coatings for the protection of outdoor bronze: The role of alloying elements

    Science.gov (United States)

    Masi, G.; Balbo, A.; Esvan, J.; Monticelli, C.; Avila, J.; Robbiola, L.; Bernardi, E.; Bignozzi, M. C.; Asensio, M. C.; Martini, C.; Chiavari, C.

    2018-03-01

    Application of a protective coating is the most widely used conservation treatment for outdoor bronzes (cast Cu-Sn-Zn-Pb-Sb alloys). However, improving coating protectiveness requires detailed knowledge of the coating/substrate chemical bonding. This is particularly the case for 3-mercapto-propyl-trimethoxy-silane (PropS-SH) applied on bronze, exhibiting a good protective behaviour in outdoor simulated conditions. The present work deals with X-Ray Photoelectron Spectroscopy (XPS) and Electron Microscopy (FEG-SEM + FIB (Focused Ion Beam)) characterization of a thin PropS-SH film on bronze. In particular, in order to better understand the influence of alloying elements on coating performance, PropS-SH was studied first on pure Cu and Sn substrates then on bronzes with increasing alloy additions: Cu8Sn as well as a quinary Cu-Sn-Zn-Pb-Sb bronze. Moreover, considering the real application of this coating on historical bronze substrates, previously artificially aged ("patinated") bronze samples were prepared and a comparison between bare and "patinated" quinary bronzes was performed. In the case of coated quinary bronze, the free surface of samples was analysed by High Resolution Photoelectron Spectroscopy using Synchrotron Radiation (HR-SRPES) at ANTARES (Synchrotron SOLEIL), which offers a higher energy and lateral resolution. By compiling complementary spectroscopic and imaging information, a deeper insight into the interactions between the protective coating and the bronze substrate was achieved.

  4. Valence and conduction band offsets of β-Ga2O3/AlN heterojunction

    Science.gov (United States)

    Sun, Haiding; Torres Castanedo, C. G.; Liu, Kaikai; Li, Kuang-Hui; Guo, Wenzhe; Lin, Ronghui; Liu, Xinwei; Li, Jingtao; Li, Xiaohang

    2017-10-01

    Both β-Ga2O3 and wurtzite AlN have wide bandgaps of 4.5-4.9 and 6.1 eV, respectively. We calculated the in-plane lattice mismatch between the (-201) plane of β-Ga2O3 and the (0002) plane of AlN, which was found to be 2.4%. This is the smallest mismatch between β-Ga2O3 and binary III-nitrides which is beneficial for the formation of a high quality β-Ga2O3/AlN heterojunction. However, the valence and conduction band offsets (VBO and CBO) at the β-Ga2O3/AlN heterojunction have not yet been identified. In this study, a very thin (less than 2 nm) β-Ga2O3 layer was deposited on an AlN/sapphire template to form the heterojunction by pulsed laser deposition. High-resolution X-ray photoelectron spectroscopy revealed the core-level (CL) binding energies of Ga 3d and Al 2p with respect to the valence band maximum in individual β-Ga2O3 and AlN layers, respectively. The separation between Ga 3d and Al 2p CLs at the β-Ga2O3/AlN interface was also measured. Eventually, the VBO was found to be -0.55 ± 0.05 eV. Consequently, a staggered-gap (type II) heterojunction with a CBO of -1.75 ± 0.05 eV was determined. The identification of the band alignment of the β-Ga2O3/AlN heterojunction could facilitate the design of optical and electronic devices based on these and related alloys.

  5. Threshold Photoelectron Spectroscopy of the Methyl Radical Isotopomers, CH3, CH2D, CHD2 and CD3: Synergy between VUV Synchrotron Radiation Experiments and Explicitly Correlated Coupled Cluster Calculations

    Czech Academy of Sciences Publication Activity Database

    Cunha de Miranda, B. K.; Alcaraz, Ch.; Elhanine, M.; Noller, B.; Hemberger, P.; Fischer, I.; Garcia, G. A.; Soldi-Lose, H.; Gans, B.; Mendes, L. A. V.; Boyé-Péronne, S.; Douin, S.; Žabka, Ján; Botschwina, P.

    2010-01-01

    Roč. 114, č. 14 (2010), s. 4818-4830 ISSN 1089-5639 Grant - others:CNRS-AVCR(FR) 20201 Institutional research plan: CEZ:AV0Z40400503 Keywords : Threshold photoelectron spectroscopy * isotopomers * clusters Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.732, year: 2010

  6. Mechanism of electron transfer in the bioadsorption of hexavalent chromium within Leersia hexandra Swartz granules by X-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Li Jianping, E-mail: likianping@263.net [College of Chemistry and Bioengineering, Guilin University of Technology, Guilin 541004 (China) and Guangxi Key Laboratory of Environmental Engineering, Protection and Assessment, Guilin 541004 (China); Lin Qingyu [College of Chemistry and Bioengineering, Guilin University of Technology, Guilin 541004 (China); Zhang Xuehong [Guangxi Key Laboratory of Environmental Engineering, Protection and Assessment, Guilin 541004 (China)

    2010-10-15

    Leersia hexandra Swartz biogranules were used to adsorb Cr(VI) from aqueous solutions. Batch biosorption experiments showed that the Cr(VI) concentration sharply decreases in the first 15 min. The main functional groups that may be involved in chromium sorption were determined using Fourier transform infrared spectroscopy. The use of X-ray photoelectron spectroscopy confirmed the reduction of Cr(VI) to Cr(III) through L. hexandra Sw. Results indicate that Cr(III) is the dominant species on the surface of the biogranules and that the redox reaction can be accomplished within 40 min. The mechanism of electron transfer during Cr(VI) reduction to Cr(III) was investigated. Protonation of the oxygen-containing groups produces electrostatic-sorption power over Cr(VI). The nitrogen-containing groups serve as the electron-donor groups in the process of reduction-sorption. Moreover, after the complete reduction of Cr(VI), the pH of the suspension significantly increases.

  7. Experimental Benchmarking of Pu Electronic Structure

    International Nuclear Information System (INIS)

    Tobin, J.G.; Moore, K.T.; Chung, B.W.; Wall, M.A.; Schwartz, A.J.; Ebbinghaus, B.B.; Butterfield, M.T.; Teslich, N.E. Jr.; Bliss, R.A.; Morton, S.A.; Yu, S.W.; Komesu, T.; Waddill, G.D.; van der Laan, G.; Kutepov, A.L.

    2008-01-01

    The standard method to determine the band structure of a condensed phase material is to (1) obtain a single crystal with a well defined surface and (2) map the bands with angle resolved photoelectron spectroscopy (occupied or valence bands) and inverse photoelectron spectroscopy (unoccupied or conduction bands). Unfortunately, in the case of Pu, the single crystals of Pu are either nonexistent, very small and/or having poorly defined surfaces. Furthermore, effects such as electron correlation and a large spin-orbit splitting in the 5f states have further complicated the situation. Thus, we have embarked upon the utilization of unorthodox electron spectroscopies, to circumvent the problems caused by the absence of large single crystals of Pu with well-defined surfaces. Our approach includes the techniques of resonant photoelectron spectroscopy, x-ray absorption spectroscopy, electron energy loss spectroscopy, Fano Effect measurements, and Bremstrahlung Isochromat Spectroscopy, including the utilization of micro-focused beams to probe single-crystallite regions of polycrystalline Pu samples.

  8. Excited state non-adiabatic dynamics of the smallest polyene, trans 1,3-butadiene. I. Time-resolved photoelectron-photoion coincidence spectroscopy

    Science.gov (United States)

    Boguslavskiy, Andrey E.; Schalk, Oliver; Gador, Niklas; Glover, William J.; Mori, Toshifumi; Schultz, Thomas; Schuurman, Michael S.; Martínez, Todd J.; Stolow, Albert

    2018-04-01

    The ultrafast excited state dynamics of the smallest polyene, trans-1,3-butadiene, were studied by femtosecond time-resolved photoelectron-photoion coincidence (TRPEPICO) spectroscopy. The evolution of the excited state wavepacket, created by pumping the bright 1Bu (ππ*) electronic state at its origin of 216 nm, is projected via one- and two-photon ionization at 267 nm onto several ionization continua. The results are interpreted in terms of Koopmans' correlations and Franck-Condon factors for the excited and cationic states involved. The known predissociative character of the cation excited states is utilized to assign photoelectron bands to specific continua using TRPEPICO spectroscopy. This permits us to report the direct observation of the famously elusive S1(21Ag) dark electronic state during the internal conversion of trans 1,3-butadiene. Our phenomenological analysis permits the spectroscopic determination of several important time constants. We report the overall decay lifetimes of the 11Bu and 21Ag states and observe the re-appearance of the hot ground state molecule. We argue that the apparent dephasing time of the S2(11Bu) state, which leads to the extreme breadth of the absorption spectrum, is principally due to large amplitude torsional motion on the 1Bu surface in conjunction with strong non-adiabatic couplings via conical intersections, whereupon nuclear wavepacket revivals to the initial Franck-Condon region become effectively impossible. In Paper II [W. J. Glover et al., J. Chem. Phys. 148, 164303 (2018)], ab initio multiple spawning is used for on-the-fly computations of the excited state non-adiabatic wavepacket dynamics and their associated TRPEPICO observables, allowing for direct comparisons of experiment with theory.

  9. Atomic hydrogen cleaning of In{sub 0.53}Ga{sub 0.47}As studied using synchrotron radiation photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Brennan, Barry [Department of Material Science and Engineering, University of Texas at Dallas, Richardson, Texas (United States); Kumarappan, Kumar; Hughes, Greg [Surface and Interface Research Lab, National Centre for Sensor Research, School of Physical Sciences, Dublin City University, Glasnevin, Dublin 9 (Ireland)

    2013-11-15

    The removal of the native oxides from the In{sub 0.53}Ga{sub 0.47}As surface by exposure to atomic hydrogen has been investigated by highly surface sensitive synchrotron radiation based photoelectron spectroscopy. This shows that it is possible to fully remove the arsenic oxides at low temperatures, while still leaving a low concentration of stable Ga{sub 2}O and In{sub 2}O at the surface, and no evidence of indium loss from the substrate. The removal of surface carbon contamination is also seen, however full removal is only detected in the absence of prior substrate annealing. (copyright 2013 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  10. X-Ray photoelectron spectroscopy analysis of plasma-polymer interactions for development of low-damage plasma processing of soft materials

    International Nuclear Information System (INIS)

    Setsuhara, Yuichi; Cho, Ken; Shiratani, Masaharu; Sekine, Makoto; Hori, Masaru

    2010-01-01

    Plasma-polymer interactions have been investigated using atomic force microscopy (AFM) and x-ray photoelectron spectroscopy (XPS) of polyethyleneterephthalate (PET) films, which have been exposed to argon plasmas driven by low-inductance antenna modules as a parameter of ion energy. The AFM images indicated that the argon plasma exposure exhibited a significant change in surface roughness. The XPS analyses suggested that the degradation of chemical bonding structure and/or bond scission of PET could be effectively suppressed in the plasma exposures with ion energies below 6 eV. However, significant degradations of O = C-O bond, C-O bond and phenyl group were observed with increasing ion energy above 6 eV.

  11. X-ray photoelectron spectroscopic and morphologic studies of Ru nanoparticles deposited onto highly oriented pyrolytic graphite

    Science.gov (United States)

    Bavand, R.; Yelon, A.; Sacher, E.

    2015-11-01

    Ruthenium nanoparticles (Ru NPs) function as effective catalysts in specific reactions, such as methanation and Fischer-Tropsch syntheses. It is our purpose to physicochemically characterize their surfaces, at which catalysis occurs, by surface-sensitive X-ray photoelectron spectroscopy (XPS), using the symmetric peak component anaylsis technique developed in our laboratory to reveal previously hidden components. Ru NPs were deposited by evaporation (0.25-1.5 nm nominal deposition range) onto highly oriented pyrolytic graphite (HOPG). In addition to their surfaces being characterized by XPS, an indication of morphology was obtained from transmission electron microscopy (TEM). Our use of symmetric peak component XPS analysis has revealed detailed information on a previously unidentified surface oxide initially formed, as well as on the valence electronic structure and its variation with NP size, information that is of potential importance in the use of these NPs in catalysis. Each of the several Ru core XPS spectra characterized (3d, 3p and 3s) was found to be composed of three symmetric components. Together with two metal oxide O1s components, these give evidence of a rather complex, previously unidentified oxide that is initially formed. The Ru valence band (4d and 5s) spectra clearly demonstrate a loss of metallicity, a simultaneous increase of the Kubo gap, and an abrupt transfer in valence electron density from the 4d to the 5s orbitals (known as electron spill-over), as the NP size decreases below 0.5 nm. TEM photomicrographs, as a function of deposition rate, show that, at a rate that gives insufficient time for the NP condensation energy to dissipate, the initially well-separated NPs are capable of diffusing laterally and aggregating. This indicates weak NP bonding to the HOPG substrate. Carbide is formed, at both high and low deposition rates, at Ru deposition thicknesses greater than 0.25 nm, its formation explained by Ru NPs reacting with residual

  12. Effect of laser irradiation on the structure and valence states of copper in Cu-phosphate glass by XPS studies

    International Nuclear Information System (INIS)

    Khattak, G.D.; Mekki, A.; Gondal, M.A.

    2010-01-01

    The effect of laser irradiation using three different wavelengths (IR, visible and UV) generated from Nd:YAG laser on the local glass structure as well as on the valence state of the copper ions in copper phosphate glass containing CuO with the nominal composition 0.30(CuO)-(0.70)(P 2 O 5 ), has been investigated by X-ray photoelectron spectroscopy (XPS). The presence of asymmetry and satellite peaks in the Cu 2p spectrum for the unirradiated sample is an indication of the presence of two different valence states, Cu 2+ and Cu + . Hence, the Cu 2p 3/2 spectrum was fitted to two Gaussian-Lorentzian peaks and the corresponding ratio, Cu 2+ /Cu total , determined from these relative areas clearly shows that copper ions exist predominately (>86%) in the Cu 2+ state for the unirradiated glass sample under investigation. For the irradiated samples the symmetry and the absence of satellite peaks in the Cu 2p spectra indicate the existence of the copper ions mostly in Cu + state. The O 1s spectra show slight asymmetry for the irradiated as well as unirradiated glass samples which result from two contributions, one from the presence of oxygen atoms in the P-O-P environment (bridging oxygen BO) and the other from oxygen in an P-O-Cu and P=O environment (non-bridging oxygen NBO). The ratio of NBO to total oxygen was found to increase with laser power.

  13. X-ray photoelectron spectroscopy study of the initial oxidation of uranium metal in oxygen+water-vapour mixtures

    International Nuclear Information System (INIS)

    Allen, G.C.; Tucker, P.M.; Lewis, R.A.

    1984-01-01

    X-ray photoelectron spectroscopy (X.p.s.) has been used to study the chemical nature of the oxide film initially produced on clean uranium metal in oxygen + water-vapour atmospheres. The rate of reaction has been monitored and the nature of the surface film determined. From a consideration of the O 1s and U 4f X.p. spectra it has been possible to advance a mechanism which explains the complex nature of the surface oxide and the lack of satellite structure in the spectra. This is postulated to be a consequence of the way in which OH - is involved in the growth of the oxide and the presence of hydrogen in the surface film. The presence of oxygen retards the water oxidation reaction by inhibiting the decomposition of water vapour at the gas/oxide interface. (author)

  14. X-ray photoelectron spectroscopy study of the initial oxidation of uranium metal in oxygen+water-vapour mixtures

    Energy Technology Data Exchange (ETDEWEB)

    Allen, G.C.; Tucker, P.M.; Lewis, R.A. (Central Electricity Generating Board, Berkeley (UK). Berkeley Nuclear Labs.)

    1984-08-01

    X-ray photoelectron spectroscopy (X.p.s.) has been used to study the chemical nature of the oxide film initially produced on clean uranium metal in oxygen + water-vapour atmospheres. The rate of reaction has been monitored and the nature of the surface film determined. From a consideration of the O 1s and U 4f X.p. spectra it has been possible to advance a mechanism which explains the complex nature of the surface oxide and the lack of satellite structure in the spectra. This is postulated to be a consequence of the way in which OH/sup -/ is involved in the growth of the oxide and the presence of hydrogen in the surface film. The presence of oxygen retards the water oxidation reaction by inhibiting the decomposition of water vapour at the gas/oxide interface.

  15. Direct evaluation of electrical dipole moment and oxygen density ratio at high-k dielectrics/SiO2 interface by X-ray photoelectron spectroscopy analysis

    Science.gov (United States)

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

    2018-04-01

    The electrical dipole moment at an ultrathin high-k (HfO2, Al2O3, TiO2, Y2O3, and SrO)/SiO2 interface and its correlation with the oxygen density ratio at the interface have been directly evaluated by X-ray photoelectron spectroscopy (XPS) under monochromatized Al Kα radiation. The electrical dipole moment at the high-k/SiO2 interface has been measured from the change in the cut-off energy of secondary photoelectrons. Moreover, the oxygen density ratio at the interface between high-k and SiO2 has been estimated from cation core-line signals, such as Hf 4f, Al 2p, Y 3d, Ti 2p, Sr 3d, and Si 2p. We have experimentally clarified the relationship between the measured electrical dipole moment and the oxygen density ratio at the high-k/SiO2 interface.

  16. Photoelectron emission from metal surfaces by ultrashort laser pulses

    International Nuclear Information System (INIS)

    Faraggi, M. N.; Gravielle, M. S.; Silkin, V. M.

    2006-01-01

    Electron emission from metal surfaces produced by short laser pulses is studied within the framework of the distorted-wave formulation. The proposed approach, named surface-Volkov (SV) approximation, makes use of the band-structure based (BSB) model and the Volkov phase to describe the interaction of the emitted electron with the surface and the external electric field, respectively. The BSB model provides a realistic representation of the surface, based on a model potential that includes the main features of the surface band structure. The SV method is applied to evaluate the photoelectron emission from the valence band of Al(111). Angular and energy distributions are investigated for different parameters of the laser pulse, keeping in all cases the carrier frequency larger than the plasmon one

  17. X-ray photoelectron spectra structure and chemical bonding in AmO2

    Directory of Open Access Journals (Sweden)

    Teterin Yury A.

    2015-01-01

    Full Text Available Quantitative analysis was done of the X-ray photoelectron spectra structure in the binding energy range of 0 eV to ~35 eV for americium dioxide (AmO2 valence electrons. The binding energies and structure of the core electronic shells (~35 eV-1250 eV, as well as the relativistic discrete variation calculation results for the Am63O216 and AmO8 (D4h cluster reflecting Am close environment in AmO2 were taken into account. The experimental data show that the many-body effects and the multiplet splitting contribute to the spectral structure much less than the effects of formation of the outer (0-~15 eV binding energy and the inner (~15 eV-~35 eV binding energy valence molecular orbitals. The filled Am 5f electronic states were shown to form in the AmO2 valence band. The Am 6p electrons participate in formation of both the inner and the outer valence molecular orbitals (bands. The filled Am 6p3/2 and the O 2s electronic shells were found to make the largest contributions to the formation of the inner valence molecular orbitals. Contributions of electrons from different molecular orbitals to the chemical bond in the AmO8 cluster were evaluated. Composition and sequence order of molecular orbitals in the binding energy range 0-~35 eV in AmO2 were established. The experimental and theoretical data allowed a quantitative scheme of molecular orbitals for AmO2, which is fundamental for both understanding the chemical bond nature in americium dioxide and the interpretation of other X-ray spectra of AmO2.

  18. Electronic structures of melatonin and related compounds studied by photoelectron spectroscopy

    CERN Document Server

    Kubota, M

    2003-01-01

    Melatonin is a hormone structurally regarded as being composed of a 5-methoxyindole group and an N-ethylacetamide group; its various physiological activities have attracted a great deal of attention recently. The gas phase He(I) photoelectron spectra of melatonin (M) and its related compounds including N-acetylserotonin have been studied with the aid of molecular orbital calculations. The first photoelectron spectral band group of compound M is ascribed to ionizations from the two pi orbitals localized on the methoxyindole group. The second band group is quite complicated and is regarded as being composed of several bands. The lower energy part of the second band group is ascribed to the three orbitals relevant to the third highest occupied pi orbital of 5-methoxyindole and the highest occupied pi and the n sub C sub = sub 0 orbitals of N-ethylacetamide. The interactions among the three orbitals have been found to operate on the basis of the molecular orbital calculations; these interactions depend strongly o...

  19. Characterization of TiAlN thin film annealed under O2 by in situ time of flight direct recoil spectroscopy/mass spectroscopy of recoiled ions and ex situ x-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Tempez, A.; Bensaoula, A.; Schultz, A.

    2002-01-01

    The oxidation of an amorphous TiAlN coating has been studied by in situ direct recoil spectroscopy (DRS) and mass spectroscopy of recoiled ions (MSRI) and ex situ x-ray photoelectron spectroscopy (XPS). DRS and MSRI monitored the changes in surface composition as the sample was heated to 460 deg. C under an 18 O 2 pressure of 10 -6 Torr. Angular resolved XPS data were acquired for thickness-dependence information. The initial surface was partially oxidized from air exposure. Both DRS and XPS showed the Al-rich near surface and the presence of N in the subsurface. As shown by DRS and MSRI, oxidation at elevated temperatures yielded surface nitrogen loss and Ti enrichment. XPS confirmed the preferential formation of TiO 2 on the surface. This study also provides a comparison between the direct recoil (neutrals and ions) and the ionic recoil signals. In our conditions, the negative ionic fraction of all elements except H tracks their true surface content variations given by DRS. The results were compared with early work performed on identical samples. In this case the TiAlN film was oxidized with an O 2 pressure in the mTorr range and the surface changes are followed in situ by positive MSRI and XPS. This experiment also indicates that Al and N are buried under TiO 2 but from 600 deg. C

  20. On the nature of citrate-derived surface species on Ag nanoparticles: Insights from X-ray photoelectron spectroscopy

    Science.gov (United States)

    Mikhlin, Yuri L.; Vorobyev, Sergey A.; Saikova, Svetlana V.; Vishnyakova, Elena A.; Romanchenko, Alexander S.; Zharkov, Sergey M.; Larichev, Yurii V.

    2018-01-01

    Citrate is an important stabilizing, reducing, and complexing reagent in the wet chemical synthesis of nanoparticles of silver and other metals, however, the exact nature of adsorbates, and its mechanism of action are still uncertain. Here, we applied X-ray photoelectron spectroscopy, soft X-ray absorption near-edge spectroscopy, and other techniques in order to determine the surface composition and to specify the citrate-related species at Ag nanoparticles immobilized from the dense hydrosol prepared using room-temperature reduction of aqueous Ag+ ions with ferrous ions and citrate as stabilizer (Carey Lea method). It was found that, contrary to the common view, the species adsorbed on the Ag nanoparticles are, in large part, products of citrate decomposition comprising an alcohol group and one or two carboxylate bound to the surface Ag, and minor unbound carboxylate group; these may also be mixtures of citrate with lower molecular weight anions. No ketone groups were specified, and very minor surface Ag(I) and Fe (mainly, ferric oxyhydroxides) species were detected. Moreover, the adsorbates were different at AgNPs having various size and shape. The relation between the capping and the particle growth, colloidal stability of the high-concentration sol and properties of AgNPs is briefly considered.