Science.gov

Sample records for core-level photoemission study

  1. Photoemission studies of core level shifts in HgCdTe, CdMnTe, and HgZnTe

    NASA Technical Reports Server (NTRS)

    Shih, C. K.; Spicer, W. E.; Furdyna, J. K.; Sher, A.

    1987-01-01

    The results of photoemission studies of core level shifts in the Hg(1-x)Cd(x)Te, Cd(1-x)Mn(x)Te, and Hg(1-x)Zn(x)Te alloys are discussed. In Hg(0.7)Cd(0.3)Te, the Hg 5d level is found to shift to lower binding energy by 0.1 eV, and the Cd 4d level to shift to higher binding energy by 0.25 eV upon alloying (relative to their binaries). The Born-Haber cycle is used to determine core level binding energies relative to the valence-band maximum in the context of tight-binding theory, and calculated core level shifts upon alloying in HgCdTe are shown to be too small to account for the observed values. A natural valence-band offset between HgTe and CdTe of 0.35 eV is found.

  2. Photoemission EXAFS on outer core levels

    SciTech Connect

    Choudhary, K.M.; Rothberg, G.M.; denBoer, M.L.; Williams, G.P.; Hecht, M.H.; Lindau, I.

    1984-01-01

    The first definitive measurements of EXAFS by monitoring the direct photoelectron emission as a function of photon energy have been made using the Mn 3p and F 2s core levels in evaporated films of MnF/sub 2/. Good agreement is found with bulk transmission EXAFS obtained with the Mn 1s level. This development is important because: (1) almost all elements have suitable core levels of low binding energy; (2) since photopeaks from adjacent core levels do not cross as the photon energy is varied, the limitation imposed on other EXAFS techniques by this interference is removed. Auger electrons, which have fixed kinetic energies and so can cross photopeaks, will generally have low energies if they originate from the outer core levels and be unlikely to appear in the EXAFS region of kinetic energies, i.e., in excess of about 50 eV; (3) vuv light is used, which greatly extends the useable range of photon energies; and (4) more than one element in a solid may be studied with the same monochromator. In this work all diffraction effects except the backscattering that gives rise to the EXAFS were eliminated by using a polycrystalline evaporated thin film and by making use of the 2..pi.. azimuthal acceptance angle of a cylindrical mirror analyzer. Previously MARGARITONDO and coworkers observed EXAFS-like oscillations in photopeaks as a function of photon energy when a CMA was used; however, their data did not extend over a sufficient photon energy range to prove conclusively that EXAFS was involved.

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

    NASA Astrophysics Data System (ADS)

    Hariki, Atsushi; Uozumi, Takayuki

    2013-03-01

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

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

    NASA Astrophysics Data System (ADS)

    Takahashi, Manabu; Igarashi, Jun-Ichi

    2012-02-01

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

  5. Electronic Charges and Electric Potential at LaAlO3/SrTiO3 Interfaces Studied by Core-Level Photoemission Spectroscopy

    SciTech Connect

    Hwang, Harold

    2011-08-19

    We studied LaAlO{sub 3}/SrTiO{sub 3} interfaces for varying LaAlO{sub 3} thickness by core-level photoemission spectroscopy. In Ti 2p spectra for conducting 'n-type' interfaces, Ti{sup 3+} signals appeared, which were absent for insulating 'p-type' interfaces. The Ti{sup 3+} signals increased with LaAlO{sub 3} thickness, but started well below the critical thickness of 4 unit cells for metallic transport. Core-level shifts with LaAlO{sub 3} thickness were much smaller than predicted by the polar catastrophe model. We attribute these observations to surface defects/adsorbates providing charges to the interface even below the critical thickness.

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

    NASA Astrophysics Data System (ADS)

    Hariki, Atsushi; Ichinozuka, Yoshiyuki; Uozumi, Takayuki

    2013-02-01

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

  7. A study of angle-resolved photoemission extended fine structure as applied to the Ni 3p, Cu 3s, and Cu 3p core levels of the respective clean (111) surfaces

    SciTech Connect

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

    1997-04-01

    The first non-s initial state angle-resolved photoemission extended fine structure (ARPEFS) study of clean surfaces for the purpose of further understanding the technique is reported. The surface structure sensitivity of ARPEFS applied to clean surfaces and to arbitrary initial states is studied using normal photoemission data taken from the Ni 3p core levels of a Ni(111) single crystal and the Cu 3s and the Cu 3p core-levels of a Cu(111) single crystal. The Fourier transforms of these clean surface data are dominated by backscattering. Unlike the s initial state data, the p initial state data show a peak in the Fourier transform corresponding to in-plane scattering from the six nearest-neighbors to the emitter. Evidence was seen for single-scattering events from in the same plane as the emitters and double-scattering events. Using a newly developed, multiple-scattering calculation program, ARPEFS data from clean surfaces and from p initial states can be modeled to high precision. Although there are many layers of emitters when measuring photoemission from a clean surface, test calculations show that the ARPEFS signal is dominated by photoemission from atoms in the first two crystal layers. Thus, ARPEFS applied to clean surfaces is sensitive to surface reconstruction. The known contraction of the first two Cu(111) layers is confirmed. The best-fit calculation for clean Ni(111) indicates an expansion of the first two layers. To better understand the ARPEFS technique, the authors studied s and non-s initial state photoemission from clean metal surfaces.

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

    NASA Technical Reports Server (NTRS)

    Vasquez, R.

    1993-01-01

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

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

    NASA Technical Reports Server (NTRS)

    Vasquez, R.

    1993-01-01

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

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

    SciTech Connect

    Menchero, Jose Gabriel

    1997-05-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2014-04-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2013-09-01

    We report an experimental and theoretical study of single-molecule inner-shell photoemission measured over an extended range of photon energies. The vibrational intensity ratios I(ν=1)/I(ν=0) from the C 1s photoelectron spectra of carbon monoxide, although mostly determined by the bond length change upon ionization, are shown to be affected also by photoelectron recoil and by scattering from the neighboring oxygen atom. Static-exchange density functional theory (DFT) is used to encompass all these effects in a unified theoretical treatment. The ab initio calculations show that the vibrational ratio as a function of the photoelectron momentum is sensitive to both the ground-state internuclear distance and its contraction upon photoionization. We present a proof-of-principle application of DFT calculations as a quantitative structural analysis tool for extracting the dynamic and static molecular geometry parameters simultaneously.

  13. Er/Si (111) interface intermixing investigation using core level photoemission

    SciTech Connect

    Haderbache, L.; Wetzel, P.; Pirri, C.; Peruchetti, J.C.; Bolmont, D.; Gewinner, G. )

    1990-07-23

    We present in this letter Si 2{ital p} core level photoemission measurements on the Er/Si (111) interface formed at room temperature. These spectroscopic data are compared with those measured on amorphous silicide films for various Er concentrations grown by coevaporation of Er and Si species at room temperature under ultrahigh vacuum conditions. This study reveals a strong interaction between Er and the Si (111) substrate even at very low coverage. A mixed interface is observed with silicide formation up to 6 monolayers of deposited metal which corresponds to the onset of erbium metal overgrowth. The Er concentration in the interfacial silicide is found to increase as a function of the deposited Er thickness. A model for the interface is proposed and discussed.

  14. Spin-Orbit Effects in Spin-Resolved L2,3 Core Level Photoemission of 3d Ferromagnetic Thin Films

    SciTech Connect

    Komesu, T; Waddill, G D; Yu, S W; Butterfield, M; Tobin, J G

    2007-10-02

    We present spin-resolved 2p core level photoemission for the 3d transition metal films of Fe and Co grown on Cu(100). We observe clear spin asymmetry in the main 2p core level photoemission peaks of Fe and Co films consistent with trends in the bulk magnetic moments. The spin polarization can be strongly enhanced, by variation of the experimental geometry, when the photoemission is undertaken with circularly polarized light, indicating that spin-orbit interaction can have a profound in spin polarized photoemission. Further spin polarized photoemission studies using variable circularly polarized light at high photon energies, high flux are indicated, underscoring the value of synchrotron measurements at facilities with increased beam stability.

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

    SciTech Connect

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

    1997-04-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2014-09-01

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

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

    NASA Astrophysics Data System (ADS)

    John, Peter James

    1988-12-01

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

  18. Detection of subsurface core-level shifts in Si 2p core-level photoemission from Si(111)-(1x1):As

    SciTech Connect

    Paggel, J.J.; Hasselblatt, M.; Horn, K.

    1997-04-01

    The (7 x 7) reconstruction of the Si(111) surface arises from a lowering energy through the reduction of the number of dangling bonds. This reconstruction can be removed by the adsorption of atoms such as hydrogen which saturate the dangling bonds, or by the incorporation of atoms, such as arsenic which, because of the additional electron it possesses, can form three bonds and a nonreactive lone pair orbital from the remaining two electrons. Core and valence level photoemission and ion scattering data have shown that the As atoms replace the top silicon atoms. Previous core level spectra were interpreted in terms of a bulk and a single surface doublet. The authors present results demonstrate that the core level spectrum contains two more lines. The authors assign these to subsurface silicon layers which also experience changes in the charge distribution when a silicon atom is replaced by an arsenic atom. Subsurface core level shifts are not unexpected since the modifications of the electronic structure and/or of photohole screening are likely to decay into the bulk and not just to affect the top-most substrate atoms. The detection of subsurface components suggests that the adsorption of arsenic leads to charge flow also in the second double layer of the Si(111) surface. In view of the difference in atomic radius between As and Si, it was suggested that the (1 x 1): As surface is strained. The presence of charge rearrangement up to the second double layer implies that the atomic coordinates also exhibit deviations from their ideal Si(111) counterparts, which might be detected through a LEED I/V or photoelectron diffraction analysis.

  19. Photoemission core-level shifts reveal the thiolate-Au(111) interface

    SciTech Connect

    Groenbeck, Henrik; Odelius, Michael

    2010-08-15

    The nature of the thiolate/Au(111) interface is a long-standing puzzle. It has been suggested that thiolates drive surface reconstruction, however, a consensus regarding the adsorption configuration is missing. Herein, the density-functional theory is used to evaluate surface core-level shifts (SCLSs) for methyl thiolates on Au(111) assuming a representative set of different surface reconstructions. The SCLSs are found to provide sensitive fingerprints of the anchoring configuration, and it is only thiolate adsorption in the form of MeS-Au-SMe complexes that can be reconciled with experimental data.

  20. Interaction of phosphine with Si(100) from core-level photoemission and real-time scanning tunneling microscopy

    NASA Astrophysics Data System (ADS)

    Lin, Deng-Sung; Ku, Tsai-Shuan; Chen, Ru-Ping

    2000-01-01

    In this paper, we investigate the interaction of phosphine (PH3) on the Si(100)-2×1 surface at temperatures between 635 and 900 K. The hydrogen desorption, growth mode, surface morphology, and chemical composition and ordering of the surface layer are examined by synchrotron radiation core-level photoemission and real-time high-temperature scanning tunneling microscopy. The P 2p core-level spectra indicate that decomposition of PHn is complete above ~550 K and the maximum P coverage is strongly influenced by the growth temperature, which governs the coverage of H-terminated sites. The scanning tunneling microscopy (STM) images taken at real time during PH3 exposure indicate that a surface phosphorus atom readily and randomly displaces one Si atom from the substrate. The ejected Si diffuses, nucleates, and incorporates itself into islands or step edges, leading to similar growth behavior as that found in Si chemical vapor deposition. Line defects both perpendicular and parallel to the dimer rows are observed on the nearly P-saturated surface. Perpendicular line defects act as a strain relief mechanism. Parallel line defects result from growth kinetics. STM images also indicate that incorporating a small amount of phosphorus eliminates the line defects in the Si(100)-2×n surface.

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

    SciTech Connect

    Wu, Jin

    1994-03-01

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

  2. Study of Photoemissive Dusty Plasma

    NASA Astrophysics Data System (ADS)

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

    2008-09-01

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

  3. Study of Photoemissive Dusty Plasma

    SciTech Connect

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

    2008-09-07

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

  4. Photoemission studies of semiconductor nanocrystals

    SciTech Connect

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

    1997-04-01

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

  5. High-resolution core-level photoemission measurements on the pentacene single crystal surface assisted by photoconduction

    NASA Astrophysics Data System (ADS)

    Nakayama, Yasuo; Uragami, Yuki; Yamamoto, Masayuki; Yonezawa, Keiichirou; Mase, Kazuhiko; Kera, Satoshi; Ishii, Hisao; Ueno, Nobuo

    2016-03-01

    Upon charge carrier transport behaviors of high-mobility organic field effect transistors of pentacene single crystal, effects of ambient gases and resultant probable ‘impurities’ at the crystal surface have been controversial. Definite knowledge on the surface stoichiometry and chemical composites is indispensable to solve this question. In the present study, high-resolution x-ray photoelectron spectroscopy (XPS) measurements on the pentacene single crystal samples successfully demonstrated a presence of a few atomic-percent of (photo-)oxidized species at the first molecular layer of the crystal surface through accurate analyses of the excitation energy (i.e. probing depth) dependence of the C1s peak profiles. Particular methodologies to conduct XPS on organic single crystal samples, without any charging nor damage of the sample in spite of its electric insulating character and fragility against x-ray irradiation, is also described in detail.

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

    NASA Astrophysics Data System (ADS)

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

    1994-04-01

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

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

    NASA Astrophysics Data System (ADS)

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

    1990-11-01

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

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

    SciTech Connect

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

    2008-03-01

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

  9. Electronic Structure of Heavy Fermion Uranium Compounds Studied by Core-Level Photoelectron Spectroscopy

    NASA Astrophysics Data System (ADS)

    Fujimori, Shin-ichi; Ohkochi, Takuo; Kawasaki, Ikuto; Yasui, Akira; Takeda, Yukiharu; Okane, Tetsuo; Saitoh, Yuji; Fujimori, Atsushi; Yamagami, Hiroshi; Haga, Yoshinori; Yamamoto, Etsuji; Tokiwa, Yoshifumi; Ikeda, Shugo; Sugai, Takashi; Ohkuni, Hitoshi; Kimura, Noriaki; Ōnuki, Yoshichika

    2012-01-01

    High-energy-resolution core-level and valence-band photoelectron spectroscopic studies were performed for the heavy fermion uranium compounds UGe2, UCoGe, URhGe, URu2Si2, UNi2Al3, UPd2Al3, and UPt3 as well as typical localized and itinerant uranium compounds to understand the relationship between the uranium valence state and their core-level spectral line shapes. In addition to the main line and high-binding energy satellite structure recognized in the core-level spectra of uranium compounds, a shoulder structure on the lower binding energy side of the main lines of localized and nearly localized uranium compounds was also found. The spectral line shapes show a systematic variation depending on the U 5f electronic structure. The core-level spectra of UGe2, UCoGe, URhGe, URu2Si2, and UNi2Al3 are rather similar to those of itinerant compounds, suggesting that U 5f electrons in these compounds are well hybridized with ligand states. On the other hand, the core-level spectra of UPd2Al3 and UPt3 show considerably different spectral line shapes from those of the itinerant compounds, suggesting that U 5f electrons in UPd2Al3 and UPt3 are less hybridized with ligand states, leading to the correlated nature of U 5f electrons in these compounds. The dominant final state characters in their core-level spectra suggest that the numbers of 5f electrons in UGe2, UCoGe, URhGe, URu2Si2, UNi2Al3, and UPd2Al3 are close to but less than three, while that of UPt3 is close to two rather than to three.

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

    NASA Astrophysics Data System (ADS)

    Okada, Kozo; Takeuchi, Yurika

    2017-06-01

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

  11. Photoemission study of cerium silicate model systems

    NASA Astrophysics Data System (ADS)

    Skála, Tomáš; Matolín, Vladimír

    2013-01-01

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

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

    NASA Astrophysics Data System (ADS)

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

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

  13. Structural origin of Si-2p core-level shifts from Si(100)-c[4x2] surface: A spectral x-ray photoelectron diffraction study

    SciTech Connect

    Chen, X.; Tonner, B.P.; Denlinger, J.

    1997-04-01

    The authors have performed angle-resolved x-ray photoelectron diffraction (XPD) from a Si(100)-c(4x2) surface to study the structural origin of Si-2p core-level shifts. In the experiment, the highly resolved surface Si-2p core-level spectra were measured as a fine grid of hemisphere and photon energies, using the SpectroMicroscopy Facility {open_quotes}ultraESCA{close_quotes} instrument. By carefully decomposing the spectra into several surface peaks, the authors are able to obtain surface-atom resolved XPD patterns. Using a multiple scattering analysis, they derived a detailed atomic model for the Si(100)-c(4x2) surface. In this model, the asymmetric dimers were found tilted by 11.5 plus/minus 2.0 degrees with bond length of 2.32 plus/minus 0.05{angstrom}. By matching model XPD patterns to experiment, the authors can identify which atoms in the reconstructed surface are responsible for specific photoemission lines in the 2p spectrum.

  14. Photoemission studies from metal by UV lasers

    NASA Astrophysics Data System (ADS)

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

    2007-04-01

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

  15. Time-resolved soft X-ray core-level photoemission spectroscopy at 880 °C using the pulsed laser and synchrotron radiation and the pulse heating current

    NASA Astrophysics Data System (ADS)

    Abukawa, T.; Yamamoto, S.; Yukawa, R.; Kanzaki, S.; Mukojima, K.; Matsuda, I.

    2017-02-01

    We developed a time-resolved photoemission spectroscopy system for tracking the temporal variation in an electronic state of a heated sample. Our pump-probe method used laser and synchrotron radiation pulses on a silicon surface that was heated by a synchronized pulse current that did not interfere with the measurements. The transient surface photovoltage effect on the Si 2p core spectra was measured from room temperature to 880 °C and was found to be consistent with the thermal carrier distributions in silicon crystals at the corresponding temperatures. This versatile technique may have applications studying molecular dynamics on high temperature surfaces such as in catalytic reactions.

  16. A first-principles core-level XPS study on the boron impurities in germanium crystal

    SciTech Connect

    Yamauchi, Jun; Yoshimoto, Yoshihide; Suwa, Yuji

    2013-12-04

    We systematically investigated the x-ray photoelectron spectroscopy (XPS) core-level shifts and formation energies of boron defects in germanium crystals and compared the results to those in silicon crystals. Both for XPS core-level shifts and formation energies, relationship between defects in Si and Ge is roughly linear. From the similarity in the formation energy, it is expected that the exotic clusters like icosahedral B12 exist in Ge as well as in Si.

  17. A first-principles core-level XPS study on the boron impurities in germanium crystal

    NASA Astrophysics Data System (ADS)

    Yamauchi, Jun; Yoshimoto, Yoshihide; Suwa, Yuji

    2013-12-01

    We systematically investigated the x-ray photoelectron spectroscopy (XPS) core-level shifts and formation energies of boron defects in germanium crystals and compared the results to those in silicon crystals. Both for XPS core-level shifts and formation energies, relationship between defects in Si and Ge is roughly linear. From the similarity in the formation energy, it is expected that the exotic clusters like icosahedral B12 exist in Ge as well as in Si.

  18. Photoemission study of diamond (100) surface

    SciTech Connect

    Wu, J.; Cao, R.; Yang, X.; Pianetta, P.; Lindau, I.

    1993-03-01

    The electronic structure of the diamond C(100)-(2 {times} 1)/(2 {times} 2) has been investigated by means of angle-resolved photoelectron spectroscopy for the first time. A surface-related shift has been observed in the C 1s core level spectrum. The surface-state band dispersion was measured along the symmetry axis {Gamma}-J{prime} in the surface Brillouin zone. For k{sub {parallel}} = 0, there is a very pronounced surface state 1.5 eV below Fermi level E{sub F}, and it disperses downwards with increasing k{sub {parallel}}. Near the boundary of the surface Brillouin zone J{prime}, we find two states with binding energies of 1.9 and 2.4 eV with respect to E{sub F}.

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

    PubMed

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

    2004-12-10

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

  20. Microbeam Hard X-ray Photoemission Study on Platinum-Group Metal Pernitrides

    NASA Astrophysics Data System (ADS)

    Soda, Kazuo; Mizui, Tatsuya; Komabuchi, Mai; Kato, Masahiko; Terabe, Toshiki; Suzuki, Kentaro; Niwa, Ken; Shirako, Yuichi; Hasegawa, Masashi; Akaogi, Masaki; Kojitani, Hiroshi; Ikenaga, Eiji

    2017-06-01

    Using microbeam hard X-ray photoelectron spectroscopy, we clarified the valence-band electronic structures and chemical states of platinum-group metal (Ru, Ir, and Pt) pernitrides, which have been synthesized in supercritical nitrogen fluid under extremely high pressures and temperatures. Their nitrogen contents relative to the platinum-group metal are estimated to be 2 from the photoemission intensity, which is consistent with the studies reported to date. The observed valence-band structures agree quite well with theoretically predicted structures for the pyrite-type PtN2, arsenopyrite-type IrN2, and marcasite-type RuN2. The origin of their extremely large bulk moduli is discussed based on the current results of the valence-band structures and core-level chemical shifts.

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

    SciTech Connect

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

    2011-05-07

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

  2. Angle-resolved photoemission extended fine structure: Multiple layers of emitters and multiple initial states

    SciTech Connect

    Huff, W.R.A.; Kellar, S.A.; Moler, E.J. |; Chen, Y.; Wu, H.; Shirley, D.A.; Hussain, Z.

    1995-08-01

    Recently, angle-resolved photoemission extended fine structure (ARPEFS) has been applied to experimental systems involving multiple layers of emitters and non-s core-level photoemission in an effort to broaden the utility of the technique. Most of the previous systems have been comprised of atomic or molecular overlayers adsorbed onto a single-crystal, metal surface and the photoemission data were taken from an s atomic core-level in the overlayer. For such a system, the acquired ARPEFS data is dominated by the p{sub o} final state wave backscattering from the substrate atoms and is well understood. In this study, we investigate ARPEFS as a surface-region structure determination technique when applied to experimental systems comprised of multiple layers of photoemitters and arbitrary initial state core-level photoemission. Understanding the data acquired from multiple layers of photoemitters is useful for studying multilayer interfaces, ''buried'' surfaces, and clean crystals in ultra- high vacuum. The ability to apply ARPEFS to arbitrary initial state core-level photoemission obviously opens up many systems to analysis. Efforts have been ongoing to understand such data in depth. We present clean Cu(111) 3s, 3p, and 3d core-level, normal photoemission data taken on a high resolution soft x-ray beamline 9.3.2 at the Advanced Light Source in Berkeley, California and clean Ni(111) 3p normal photoemission data taken at the National Synchrotron Light Source in Upton, New York, USA.

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

    NASA Astrophysics Data System (ADS)

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

    2015-09-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2006-01-01

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

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

    SciTech Connect

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

    2012-07-07

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

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

    SciTech Connect

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

    1993-01-01

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

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

    SciTech Connect

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

    1993-06-01

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

  8. Comparative photoemission study of amorphous and crystalline As

    NASA Astrophysics Data System (ADS)

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

    1981-09-01

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

  9. Adsorption of lithium on the Si(111)7 × 7 surface studied with high resolution core-level spectroscopy

    NASA Astrophysics Data System (ADS)

    Grehk, T. M.; Larsson, C. U. S.; Prince, N. P.; Flodström, S. A.

    1993-03-01

    Li-adsorption on the Si(111)7 × 7 surface at room temperature has been studied for different metal coverages with core-level spectroscopy. Four Li-induced components are observed in the Si 2p level at high Li-coverages indicating the formation of four thermodynamically stable phases. It is shown that the reaction between the Li atoms and the Si(111)7 × 7 surface takes place in two steps. In the first the surface reconstructs towards a "7 × 1" reconstruction and in the second Li react with the Si-substrate, forming Li suicides, with the Si atom coordinating up to four Li neighbors.

  10. a Photoemission Study of the Electronic Structure and Oxidation Properties of Mercury-Cadmium Telluride.

    NASA Astrophysics Data System (ADS)

    Silberman, Joel Abraham

    The study of electronic structure and oxidation properties of the random substitutional alloy Mercury Cadmium Telluride is of general interest in relating the electronic structure and surface properties of a semiconductor alloy with a strongly aperiodic potential to these aspects of the binary compounds that represent the composition extremes. It is also of practical value, as study of the electronic structure and oxidation properties provides an underpinning of fundamental knowledge for further technological development. Angle-integrated and polarization dependent angle -resolved photoemission spectroscopy (along the normal) from the (110) cleavage face of the alloy and the binaries Cadmium Telluride and Mercury Telluride were performed to examine the composition dependence of the electronic structure and bonding. Emission from the valence states documents the breakdown of the virtual crystal approximation and the success of the coherent potential approximation in treating the alloy potential. The consequences of this finding for the bonding and materials properties are described. Detailed dispersion relations as a function of composition have been deduced from the angle-resolved data for a portion of the band structure along (110) and are compared to theory. To augment the discussion of the photoemission final states and the polarization dependence of the data, a nonlocal pseudopotential calculation extending to 30 eV above the valence band maximum was executed. In the oxidation studies, core level photoemission spectroscopy was used to characterize the clean surface and monitor the growth of native oxide films a few monolayers thick formed on the semi- conductor at room temperature by exposure to oxygen in the gas phase activated by contact with a hot filament. The cleaved (110) surface of p-type solid state recrystallized alloy samples was found to be stoichiometric, stable against Hg loss over time in vacuum at room temperature, but converted to n

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

    PubMed Central

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

    2012-01-01

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

  12. Photoemission studies of novel charge density wave systems

    NASA Astrophysics Data System (ADS)

    Kidd, Timothy Edward

    Photoelectron spectroscopy is a powerful tool for probing the properties of surfaces and interfaces. Linked with a tunable light source such as the Synchrotron Radiation Center in Stoughton, WI, one is able to obtain information concerning the sample's crystal structure, the interfacial properties of thin films, valence band structure, and chemical environment. This thesis is mainly focused on the use of angle-resolved photoemission to study the electronic structure of charge density wave (CDW) systems. CDW systems undergo a temperature dependent structural phase transition accompanied by a modulation of the conduction electron density. These materials share many properties with complex systems. These systems display many novel properties including high-Tc superconductivity and the colossal magnetoresistance effect. One of the shared properties of these systems is a high sensitivity to doping and defects. This sensitivity will be explored in the context of two CDW systems in this thesis. The first system to be studied was the 1/3 ML Sn/Ge(111) surface. It is a simple 2D binary semiconductor system which appears to undergo a CDW phase transition at low temperatures. Photoemission spectroscopy was used to determine the mechanism for the phase transition, and the influence of defects upon the system. It appears the defects play a strong role in defining both the normal and ground state for the system, and are perhaps essential for the phase transition. The second system studied is the layered compound TiSe2. Unlike other group IV transition metal dichalcogenides, TiSe2 undergoes a CDW phase transition at low temperatures. Although the system has been studied for decades, there is still no consensus on the mechanism driving the phase transition. There is also some doubt as to whether the normal state is semi-metallic or semiconducting. Again, defects have a strong effect upon the system. Photoemission studies were used to measure the system's electronic structure near

  13. Preparation of clean InP(100) surfaces studied by synchrotron radiation photoemission

    NASA Astrophysics Data System (ADS)

    Sun, Yun; Liu, Zhi; Machuca, Francisco; Pianetta, Piero; Spicer, William E.

    2003-01-01

    The chemical cleaning of indium phosphide (InP),(100) surfaces is studied systematically by using photoemission electron spectroscopy. In order to achieve the necessary surface sensitivity and spectral resolution, synchrotron radiation with photon energies ranging from 60 to 600 eV are used to study the indium 4d, phosphorus 2p, carbon 1s, and oxygen 1s core levels, and the valence band. Typical H2SO4:H2O2:H2O solutions used to etch GaAs(100) surfaces are applied to InP(100) surfaces. It is found that the resulting surface species are significantly different from those found on GaAs(100) surfaces and that a second chemical cleaning step using a strong acid is required to remove residual surface oxide. This two-step cleaning process leaves the surface oxide free and with approximately 0.4 ML of elemental phosphorus, which is removed by vacuum annealing. The carbon coverage is also reduced dramatically from approximately 1 to about 0.05 ML. The chemical reactions are investigated, the resulting InP surface species at different cleaning stages are determined, and the optimum cleaning procedure is presented.

  14. Photoemission Electron Microscopy as a Tool for Studying Steel Grains

    NASA Astrophysics Data System (ADS)

    Roese, Peter; Keutner, Christoph; Berges, Ulf; Espeter, Philipp; Westphal, Carsten

    2017-03-01

    Key properties of steel like stability, weldability, or ability for absorbing deformation energy are defined by their grain structure. The knowledge about their micrometer and submicrometer structure is of particular interest for tailor-cut macroscopic steel properties. We report on photoemission electron microscopy studies which in principle yield a higher magnification than comparable optical techniques. A flat surface without any topographic features was obtained by applying a non-etching preparation procedure. PEEM images showed very tiny phase islands embedded within a steel phase matrix. Furthermore, we developed an analysis procedure for PEEM images for dual-phase steels. As a result, it is possible to identify the individual work functions of different steel phases at the surface.

  15. Photoemission Electron Microscopy as a Tool for Studying Steel Grains

    NASA Astrophysics Data System (ADS)

    Roese, Peter; Keutner, Christoph; Berges, Ulf; Espeter, Philipp; Westphal, Carsten

    2017-01-01

    Key properties of steel like stability, weldability, or ability for absorbing deformation energy are defined by their grain structure. The knowledge about their micrometer and submicrometer structure is of particular interest for tailor-cut macroscopic steel properties. We report on photoemission electron microscopy studies which in principle yield a higher magnification than comparable optical techniques. A flat surface without any topographic features was obtained by applying a non-etching preparation procedure. PEEM images showed very tiny phase islands embedded within a steel phase matrix. Furthermore, we developed an analysis procedure for PEEM images for dual-phase steels. As a result, it is possible to identify the individual work functions of different steel phases at the surface.

  16. Core-level photoabsorption study of defects and metastable bonding configurations in boron nitride

    SciTech Connect

    Jimenez, I.; Jankowski, A.F.; Terminello, L.J.

    1997-04-01

    Boron nitride is an interesting material for technological applications and for fundamental solid state physics investigations. It is a compound isoelectronic with carbon and, like carbon can possess sp{sup 2} and sp{sup 3} bonded phases resembling graphite and diamond. BN crystallizes in the sp{sup 2}-bonded hexagonal (h-BN), rhombohedral (r-BN) and turbostratic phases, and in the sp{sup 3}-bonded cubic (c-BN) and wurtzite (w-BN) phases. A new family of materials is obtained when replacing C-C pairs in graphite with isoelectronic B-N pairs, resulting in C{sub 2}BN compounds. Regarding other boron compounds, BN is exceptional in the sense that it has standard two-center bonds with conventional coordination numbers, while other boron compounds (e.g. B{sub 4}C) are based on the boron icosahedron unit with three-center bonds and high coordination numbers. The existence of several allotropic forms and fullerene-like structures for BN suggests a rich variety of local bonding and poses the questions of how this affects the local electronic structure and how the material accommodates the stress induced in the transition regions between different phases. One would expect point defects to play a crucial role in stress accommodation, but these must also have a strong influence in the electronic structure, since the B-N bond is polar and a point defect will thus be a charged structure. The study of point defects in relationship to the electronic structure is of fundamental interest in these materials. Recently, the authors have shown that Near-Edge X-ray Absorption Fine Structure (NEXAFS) is sensitive to point defects in h-BN, and to the formation of metastable phases even in amorphous materials. This is significant since other phase identification techniques like vibrational spectroscopies or x-ray diffraction yield ambiguous results for nanocrystalline and amorphous samples. Serendipitously, NEXAFS also combines chemical selectivity with point defect sensitivity.

  17. Electronic properties of the interface between p-CuI and anatase-phase n-TiO2 single crystal and nanoparticulate surfaces: A photoemission study

    NASA Astrophysics Data System (ADS)

    Kumarasinghe, A. R.; Flavell, W. R.; Thomas, A. G.; Mallick, A. K.; Tsoutsou, D.; Chatwin, C.; Rayner, S.; Kirkham, P.; Warren, S.; Patel, S.; Christian, P.; O'Brien, P.; Grätzel, M.; Hengerer, R.

    2007-09-01

    We present a study of the growth of the p-type inorganic semiconductor CuI on n-type TiO2 anatase single crystal (101) surfaces and on nanoparticulate anatase surfaces using synchrotron radiation photoemission spectroscopy. Core level photoemission data obtained using synchrotron radiation reveal that both the substrate (TiO2) and the overlayer (CuI) core levels shift to a lower binding energy to different degrees following the growth of CuI on TiO2. Valence band photoemission data show that the valence band maximum of the clean substrate differs from that of the dosed surface which may be interpreted qualitatively as due to the introduction of a new density of states within the band gap of TiO2 as a result of the growth of CuI. The valence band offset for the heterojunction n-TiO2/p-CuI has been measured using photoemission for both nanoparticulate and single crystal TiO2 surfaces, and the band energy alignment for these heterojunction interfaces is presented. With the information obtained here, it is suggested that the interface between p-CuI and single crystal anatase-phase n-TiO2 is a type-II heterojunction interface, with significant band bending. The measured total band bending matches the work function change at the interface, i.e., there is no interface dipole. In the case of the nanoparticulate interface, an interface dipole is found, but band bending within the anatase nanoparticles remains quite significant. We show that the corresponding depletion layer may be accommodated within the dimension of the nanoparticles. The results are discussed in the context of the functional properties of dye-sensitized solid state solar cells.

  18. Core-level electronic structure of solid-phase glycine, glycyl-glycine, diglycyl-glycine, and polyglycine: X-ray photoemission analysis and Hartree-Fock calculations of their zwitterions.

    PubMed

    Chatterjee, Avisek; Zhao, Liyan; Zhang, Lei; Pradhan, Debabrata; Zhou, Xiaojing; Leung, K T

    2008-09-14

    X-ray photoelectron spectroscopy (XPS) has been used to investigate the core-level electronic structures of glycine (G) and its peptides, including glycyl-glycine (GG), diglycyl-glycine (GGG), and polyglycine (poly-G), in their powder forms. Increasing the number of G units in the peptides does not change the locations of the respective C 1s, N 1s, and O 1s features corresponding to different functional groups: -COO(-), -NH(3)(+), >CH(2), and -CONH-. The electronic structures of the zwitterions of these molecules have been calculated as isolated molecules and as molecules in an aqueous environment under the periodic boundary conditions by quantum-mechanical and molecular mechanics methods. In the case of glycine zwitterion, the binding energies of the C 1s, N 1s, and O 1s XPS features are found to be in reasonable accord with the respective orbital energies obtained by Hartree-Fock self-consistent-field calculations, within the context of Koopmans' approximation. However, considerably worse agreement in the binding energies is found for the larger zwitterions (with the specific conformations considered in this work), indicating the need for higher-level calculations. The present work shows that optimizing the zwitterion in an aqueous environment under the periodic boundary conditions by molecular mechanics could be a very cost-effective approach for calculating the electronic structures of large, complex biomolecular systems.

  19. High-energy photoemission studies of oxide interfaces

    NASA Astrophysics Data System (ADS)

    Claessen, Ralph

    2015-03-01

    The interfaces of complex oxide heterostructures can host novel quantum phases not existing in the bulk of the constituents, with the high-mobility 2D electron system (2DES) in LaAlO3/SrTiO3 (LAO/STO) representing a prominent example. Despite extensive research the origin of the 2DES and its unusual properties - including the supposed coexistence of superconductivity and ferromagnetism - are still a matter of intense debate. Photoelectron spectroscopy, recently extended into the soft (SX-ARPES) and hard (HAXPES) X-ray regime, is a powerful method to provide detailed insight into the electronic structure of these heterostructures and, in particular, of the buried interface. This includes the identification of the orbital character of the 2DES as well as the determination of vital band structure information, such as band alignment, band bending, and even k-resolved band dispersions and Fermi surface topology. Moreover, resonant photoemission at the Ti L-edge reveals the existence of two different species of Ti 3d states, localized and itinerant, which can be distinguished and identified by their different resonance behavior. The role of oxygen vacancies is studied by controlled in-situ oxidation, which allows us to vary the composition from fully stoichiometric to strongly O-deficient. By comparison to free STO surfaces we can thus demonstrate that the metallicity of the heteointerfaces is intrinsic, i . e . it persists even in the absence of O defects. I will discuss our photoemission results on LAO/STO heterostructures in both (100) and (111) orientation as well as on the related system γ-Al2O3/STO(100), which also hosts a 2DES with an even higher mobility. Work in collaboration with J. Mannhart (MPI-FKF, Stuttgart), N. Pryds (TU Denmark), G. Rijnders (U Twente), S. Suga (U Osaka), M. Giorgoi (BESSY, HZB), W. Drube (DESY Photon Science), V.N. Strocov (Swiss Light Source), J. Denlinger (Advanced Light Source, LBNL), and T.-L. Lee (Diamond Light Source). Support by

  20. Surface studies of solids using integral x-ray-induced photoemission yield

    DOE PAGES

    Stoupin, Stanislav; Zhernenkov, Mikhail; Shi, Bing

    2016-11-22

    X-ray induced photoemission yield contains structural information complementary to that provided by X-ray Fresnel reflectivity, which presents an advantage to a wide variety of surface studies if this information is made easily accessible. Photoemission in materials research is commonly acknowledged as a method with a probing depth limited by the escape depth of the photoelectrons. Here we show that the integral hard-X-ray-induced photoemission yield is modulated by the Fresnel reflectivity of a multilayer structure and carries structural information that extends well beyond the photoelectron escape depth. A simple electric self-detection of the integral photoemission yield and Fourier data analysis permitmore » extraction of thicknesses of individual layers. The approach does not require detection of the reflected radiation and can be considered as a framework for non-invasive evaluation of buried layers with hard X-rays under grazing incidence.« less

  1. Surface studies of solids using integral x-ray-induced photoemission yield

    SciTech Connect

    Stoupin, Stanislav; Zhernenkov, Mikhail; Shi, Bing

    2016-11-22

    X-ray induced photoemission yield contains structural information complementary to that provided by X-ray Fresnel reflectivity, which presents an advantage to a wide variety of surface studies if this information is made easily accessible. Photoemission in materials research is commonly acknowledged as a method with a probing depth limited by the escape depth of the photoelectrons. Here we show that the integral hard-X-ray-induced photoemission yield is modulated by the Fresnel reflectivity of a multilayer structure and carries structural information that extends well beyond the photoelectron escape depth. A simple electric self-detection of the integral photoemission yield and Fourier data analysis permit extraction of thicknesses of individual layers. The approach does not require detection of the reflected radiation and can be considered as a framework for non-invasive evaluation of buried layers with hard X-rays under grazing incidence.

  2. Surface studies of solids using integral X-ray-induced photoemission yield

    PubMed Central

    Stoupin, Stanislav; Zhernenkov, Mikhail; Shi, Bing

    2016-01-01

    X-ray induced photoemission yield contains structural information complementary to that provided by X-ray Fresnel reflectivity, which presents an advantage to a wide variety of surface studies if this information is made easily accessible. Photoemission in materials research is commonly acknowledged as a method with a probing depth limited by the escape depth of the photoelectrons. Here we show that the integral hard-X-ray-induced photoemission yield is modulated by the Fresnel reflectivity of a multilayer structure and carries structural information that extends well beyond the photoelectron escape depth. A simple electric self-detection of the integral photoemission yield and Fourier data analysis permit extraction of thicknesses of individual layers. The approach does not require detection of the reflected radiation and can be considered as a framework for non-invasive evaluation of buried layers with hard X-rays under grazing incidence. PMID:27874041

  3. Photoemission and magnetic circular dichroism studies of magnetic semiconductors

    NASA Astrophysics Data System (ADS)

    Fujimori, Atsushi

    2005-03-01

    Recently, a series of novel ferromagnetic semiconductors have been synthesized using MBE and related techniques and have attracted much attention because of unknown mechanisms of carrier-induced ferromagnetism and potential applications as "spin electronics" devices. Some new materials show ferromagnetism even well above room temperature. Photoemission spectroscopy has been used to study the d orbitals of the dilute transition-metal atoms, mostly Mn, and their hybridization with the host band states [1]. Soft x-ray absorption spectroscopy (XAS) and magnetic circular dichroism (MCD) at the transition-metal 2p-3d absorption edges are useful techniques to study the valence and spin states of the transition-metal atoms. Furthermore, since MCD has different sensitivities to the ferromagnetic and paramagnetic components at different temperatures and magnetic fileds, if the sample is a mixture of ferromagnetic and non-ferromagnetic transition- metal atoms, it can be used to separate the two components and to study their electronic structures. In this talk, results are presented for the prototypical diluted ferromagnetic semiconductor Ga1-xMnxAs [2] and the room-temperature ferromagnets Zn1-xCoxO and Ti1-xCoxO2.I acknowledge collaboration with Y. Ishida, J.-I. Hwang, M. Kobayashi, Y. Takeda, Y. Saitoh, J. Okamoto, T. Okane, Y. Muramatsu, K. Mamiya, T. Koide, A. Tanaka, M. Tanaka, Hayashi, S. Ohya, T. Kondo, H. Munekata, H. Saeki, H. Tabata, T. Kawai, Y. Matsumoto, H. Koinuma, T. Fukumura and M. Kawasaki. This work was supported by a Grant-in-Aid for Scientific Research in Priority Area "Semiconductor nano-spintronics" (14076209) from MEXT, Japan.1. J. Okabayashi et al., Phys. Rev. B 64, 125304 (2001).2. A. Fujimori et al., J. Electron Spectrosc. Relat. Phenom., in press.

  4. Desulfurization Reactions on Surfaces of Metal Carbides: Photoemission and Density-Functional Studies

    SciTech Connect

    Rodriguez, J.A.; Liu, P.; Takahashi, Y.; Nakamura, K.; Viñes, F.; Illas, F.

    2010-05-01

    High-resolution photoemission and density functional (DF) calculations were used to study the interaction of atomic sulfur and S-containing molecules with metal carbides in which the carbon/metal ratio varies from 0.5 to 1 (M2C and MC, M = Ti, V or Mo). In these compounds, the C sites cannot be considered as simple spectators. They moderate the reactivity of the metal centers and provide bonding sites for adsorbates. For example, the adsorption of S on TiC(001) induces a large positive shift (1.0-1.3 eV) in the C 1s core level. DF calculations give a CTiTi hollow as the most stable site for the S adatoms. There is a correlation between the adsorption energy of S or thiophene and shifts in the centroid of the metal d band induced by metal-carbon bonding in the metal carbides. The M2C and MC carbides have difficulty obeying Sabatier's principle for being good HDS catalysts because some of them interact too strongly with the products (M2C stoichiometry) and the others have problems dissociating the reactants (MC stoichiometry). The addition of small Au nanoparticles is an efficient way for enhancing the HDS activity of MC catalysts. In spite of the very poor desulfurization performance of TiC and MoC, the Au/TiC and Au/MoC systems display an HDS activity comparable or higher than that of conventional Ni/MoS{sub x} catalysts. The Au nanoparticles probably increase the HDS activity of the metal carbides by enhancing the adsorption energy of thiophene and by helping in the dissociation of H2 to produce the hydrogen necessary for the hydrogenolysis of C-S bonds and the removal of sulfur.

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

    PubMed

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

    1995-01-20

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

  6. Soft X-ray photoemission studies of Hf oxidation

    SciTech Connect

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

    2002-02-01

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

  7. Angle-resolved photoemission spectroscopy (ARPES) studies of cuprate superconductors

    SciTech Connect

    Palczewski, Ari Deibert

    2010-01-01

    This dissertation is comprised of three different angle-resolved photoemission spectroscopy (ARPES) studies on cuprate superconductors. The first study compares the band structure from two different single layer cuprates Tl2Ba2CuO6+δ (Tl2201) Tc, max ≈ 95 K and (Bi 1.35Pb0.85)(Sr1.47La0.38)CuO6+δ (Bi2201) Tc, max ≈ 35 K. The aim of the study was to provide some insight into the reasons why single layer cuprate's maximum transition temperatures are so different. The study found two major differences in the band structure. First, the Fermi surface segments close to (π,0) are more parallel in Tl2201 than in Bi2201. Second, the shadow band usually related to crystal structure is only present in Bi2201, but absent in higher Tc Tl2201. The second study looks at the different ways of doping Bi2Sr2CaCu2O8+δ (Bi2212) in-situ by only changing the post bake-out vacuum conditions and temperature. The aim of the study is to systematically look into the generally overlooked experimental conditions that change the doping of a cleaved sample in ultra high vacuum (UHV) experiments. The study found two major experimental facts. First, in inadequate UHV conditions the carrier concentration of Bi2212 increases with time, due to the absorption of oxygen from CO2/CO molecules, prime contaminants present in UHV systems. Second, in a very clean UHV system at elevated temperatures (above about 200 K), the carrier concentration decreases due to the loss of oxygen atoms from the Bi-O layer. The final study probed the particle-hole symmetry of the pseudogap phase in high temperature superconducting cuprates by looking at the thermally excited bands above the Fermi level. The data showed a particle-hole symmetric pseudogap which symmetrically closes away from the nested FS before the node. The data is consistent

  8. Angle-resolved photoemission spectroscopy (ARPES) studies of cuprate superconductors

    SciTech Connect

    Palczewski, Ari Deibert

    2010-01-01

    This dissertation is comprised of three different angle-resolved photoemission spectroscopy (ARPES) studies on cuprate superconductors. The first study compares the band structure from two different single layer cuprates Tl2Ba2CuO6+δ (Tl2201) Tc,max ~95 K and (Bi1.35Pb0.85)(Sr1.47La0.38)CuO6+δ (Bi2201) Tc,max 35 K. The aim of the study was to provide some insight into the reasons why single layer cuprate's maximum transition temperatures are so different. The study found two major di erences in the band structure. First, the Fermi surface segments close to ( π,0) are more parallel in Tl2201 than in Bi2201. Second, the shadow band usually related to crystal structure is only present in Bi2201, but absent in higher Tc Tl2201. The second study looks at the different ways of doping Bi2Sr2CaCu2O8+δ (Bi2212) in-situ by only changing the post bake-out vacuum conditions and temperature. The aim of the study is to systematically look into the generally overlooked experimental conditions that change the doping of a cleaved sample in ultra high vacuum (UHV) experiments. The study found two major experimental facts. First, in inadequate UHV conditions the carrier concentration of Bi2212 increases with time, due to the absorption of oxygen from CO2/CO molecules, prime contaminants present in UHV systems. Second, in a very clean UHV system at elevated temperatures (above about 200 K), the carrier concentration decreases due to the loss of oxygen atoms from the Bi-O layer. The final study probed the particle-hole symmetry of the pseudogap phase in high temperature superconducting cuprates by looking at the thermally excited bands above the Fermi level. The data showed a particle-hole symmetric pseudogap which symmetrically closes away from the nested FS before the node. The data is consistent with a

  9. Angle-integrated photoemission studies of ruthocuprate Eu_2-xCe_xRuSr_2Cu_2O_10, Gd_2RuSr_2Cu_2O_10 and Eu_1.5Nb_1-xRu_xCu_2O_10 systems

    NASA Astrophysics Data System (ADS)

    Frazer, B.; Hirai, Y.; Rast, Simon; Felner, I.; Asaf, U.; Onellion, M.

    2000-03-01

    We report on both resonant photoemission and fixed photon energy studies of the conduction band and core levels for several ruthocuprate systems. The pure Ru-containing compounds exhibit ferromagnetic order, with metallic behavior and superconductivity depending on the rare earth and oxygen content. We report on as-prepared, hydrogen loaded, and oxygen-annealed polycrystalline samples. The Nb-Ru series changes from purely superconducting to both ferromagnetic and superconducting (Ru). The resonant photoemission measurements of the conduction band across the Ru4p, Cu3p, and Eu4d core levels allow us to determine the location and contribution of Ru, Cu and rare earth related states in the conduction band. The O1s, Cu2p, Ru3p, Ce4d, and Gd4d and several Nb core levels allow us to determine the valence of Ru and Nb, and the metallicity of the Ru/Nb, rare earth, and CuO2 planes.

  10. Near E{sub F} Electronic Structure of Graphite from Photoemission and Inverse Photoemission Studies

    SciTech Connect

    Sekhar, B. R.; Kundu, R.; Mishra, P.; Maniraj, M.; Barman, S. R.

    2011-10-20

    A comparative study of the electronic band structure of single crystal and highly oriented pyrolitic graphite is presented. We have used angle resolved photoelectron spectroscopy and angle resolved inverse photoelectron spectroscopy to map the occupied and unoccupied electronic states respectively.

  11. A comparative photoemission study of polar and nonpolar SiC surfaces oxidized in N 2O

    NASA Astrophysics Data System (ADS)

    Johansson, L. I.; Virojanadara, C.; Eickhoff, Th; Drube, W.

    2004-03-01

    Photoemission studies of oxidized SiC samples grown ex situ in N 2O, at a temperature of 900 °C, on the (0 0 0 1), (0 0 0 1¯), (1 1 2¯ 0) and (1 0 1¯ 0) surfaces are reported. Angle resolved data from the Si 1s and Si 2p core levels and the Si KL 2,3L 2,3 Auger transitions are analyzed and compared to data from a sample grown in O 2 on the (0 0 0 1) surface. The results show oxide growth and no oxy-nitride formation. The growth rate is found to be smallest for the Si-terminated (0 0 0 1) surface and highest for the nonpolar (1 0 1¯ 0) surface. The presence of two oxidation states, Si +4 and a suboxide, are required to explain and model recorded Si 1s, Si 2p and Si KLL spectra. The SiO 2 shift is found to be smaller on the (0 0 0 1) surface than on the other three surfaces, which is attributed to an oxide thickness dependence of the shift. A layer attenuation model describes satisfactorily the intensity variations observed in the core level components versus electron emission angle when assuming the suboxide at the interface. Estimates made of the thickness of the oxide layers show that the oxidation rate for the (0 0 0 1) surfaces is about half of that for the (1 0 1¯ 0) surface and that the oxidation rate for the (1 1 2¯ 0) and (0 0 0 1¯) surfaces are similar but somewhat smaller than for the (1 0 1¯ 0) surface. The amount of suboxide is found to be smaller on the nonpolar than on the polar surfaces.

  12. On sulfur core level binding energies in thiol self-assembly and alternative adsorption sites: An experimental and theoretical study

    SciTech Connect

    Jia, Juanjuan; Kara, Abdelkader E-mail: vladimir.esaulov@u-psud.fr; Pasquali, Luca; Bendounan, Azzedine; Sirotti, Fausto; Esaulov, Vladimir A. E-mail: vladimir.esaulov@u-psud.fr

    2015-09-14

    Characteristic core level binding energies (CLBEs) are regularly used to infer the modes of molecular adsorption: orientation, organization, and dissociation processes. Here, we focus on a largely debated situation regarding CLBEs in the case of chalcogen atom bearing molecules. For a thiol, this concerns the case when the CLBE of a thiolate sulfur at an adsorption site can be interpreted alternatively as due to atomic adsorption of a S atom, resulting from dissociation. Results of an investigation of the characteristics of thiol self-assembled monolayers (SAMs) obtained by vacuum evaporative adsorption are presented along with core level binding energy calculations. Thiol ended SAMs of 1,4-benzenedimethanethiol (BDMT) obtained by evaporation on Au display an unconventional CLBE structure at about 161.25 eV, which is close to a known CLBE of a S atom on Au. Adsorption and CLBE calculations for sulfur atoms and BDMT molecules are reported and allow delineating trends as a function of chemisorption on hollow, bridge, and atop sites and including the presence of adatoms. These calculations suggest that the 161.25 eV peak is due to an alternative adsorption site, which could be associated to an atop configuration. Therefore, this may be an alternative interpretation, different from the one involving the adsorption of atomic sulfur resulting from the dissociation process of the S–C bond. Calculated differences in S(2p) CLBEs for free BDMT molecules, SH group sulfur on top of the SAM, and disulfide are also reported to clarify possible errors in assignments.

  13. A photoemission study of Pd ultrathin films on Pt(111)

    SciTech Connect

    Mun, Bongjin Simon; Lee, Choongman; Stamenkovic, Vojislav; Markovic, Nenad M.; Ross Jr., Philip N.

    2005-05-11

    The origin of surface core-level shift (SCLS) of Pd thin films on Pt(111) substrate is investigated. At sub-monolayer coverage of Pd thin films, the splitting of Pd 3d core level peaks indicate the contribution of both initial and final-state of photo-ionization processes while there is almost no change on valence band (VB) spectra. When the coverage of Pd reaches to single monolayer, the final-state relaxation effect on the Pd 3d vanishes and only the initial-state effect, a negative SCLS, is present. Also, the VB spectrum at Pd monolayer films shows a clear band narrowing, that is the origin of the negative SCLS at monolayer coverage. As the Pd coverage is increased to more than monolayer thickness, the Pd 3d peaks start to show the surface layer contribution from second and third layers, positive SCLS, and the VB spectrum shows even narrower band width, possibly due to the formation of surface states and strained effect of Pd adlayers on top of the first pseudomorphic layer.

  14. High resolution-angle resolved photoemission studies of high temperature superconductors

    SciTech Connect

    Olson, C.G.; Liu, R.; Lynch, D.W.; Veal, B.W.; Chang, Y.C.; Jiang, P.Z.; Liu, J.Z.; Paulikas, A.P.; Arko, A.J.; List, R.S.; Argonne National Lab., IL; Los Alamos National Lab., NM )

    1989-08-01

    Recent photoemission studies of Y 123 and Bi 2212 performed with high energy and angular resolution have provided detailed information on the nature of the states near the Fermi level. Measurements of the superconducting gap, band dispersion, and the density of states near the Fermi level in the normal state all support a Fermi liquid description of these materials. 5 refs., 4 figs.

  15. Photoemission studies using femtosecond pulses for high brightness electron beams

    NASA Astrophysics Data System (ADS)

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

    1990-06-01

    We present the results of a series of experiments where various metal photocathodes are irradiated with ultrashort laser pulses, whose characteristics are: (lambda) = 625 nm, (tau) = 100 fs, PRR = 89.5 MHz, H(nu) = 2 eV and average power 25 mW in each of the two beams. The quantum efficiency of the metals range from approximately 10(exp -12) to 10(exp -8) at a power density of 100 MW/sq cm at normal incidence. Since all the electrons are emitted due to multiphoton processes, these efficiencies are expected to increase substantially at large intensities. The efficiency at 100 MW/sq cm was increased by using p-polarized light at oblique incidence by approximately 20 x and by mediating the electron emission through surface plasmon excitation by approximately 10(exp 3) x. For the low intensities used in these experiments, the electron pulse duration is almost the same as the laser pulse duration for both the bulk and the surface plasmon mediated photoemission.

  16. Photoemission Study of the Rare Earth Intermetallic Compounds: RNi2Ge2 (R=Eu, Gd)

    SciTech Connect

    Park, Jongik

    2004-01-01

    EuNi2Ge2 and GdNi2Ge2 are two members of the RT2X2 (R = rare earth, T = transition metal and X = Si, Ge) family of intermetallic compounds, which has been studied since the early 1980s. These ternary rare-earth intermetallic compounds with the tetragonal ThCr2Si2 structure are known for their wide variety of magnetic properties, Extensive studies of the RT2X2 series can be found in Refs [ 1,2,3]. The magnetic properties of the rare-earth nickel germanides RNi2Ge2 were recently studied in more detail [4]. The purpose of this dissertation is to investigate the electronic structure (both valence band and shallow core levels) of single crystals of EuNi2Ge2 and GdNi2Ge2 and to check the assumptions that the f electrons are non-interacting and, consequently, the rigid-band model for these crystals would work [11], using synchrotron radiation because, to the best of our knowledge, no photoemission measurements on those have been reported. Photoemission spectroscopy has been widely used to study the detailed electronic structure of metals and alloys, and especially angle-resolved photoemission spectroscopy (ARPES) has proven to be a powerful technique for investigating Fermi surfaces (FSs) of single-crystal compounds.

  17. High resolution synchrotron radiation based photoemission study of the in situ deposition of molecular sulphur on the atomically clean InGaAs surface

    NASA Astrophysics Data System (ADS)

    Chauhan, Lalit; Hughes, Greg

    2012-06-01

    High resolution synchrotron radiation core level photoemission studies were performed on atomically clean 0.5 μm thick In0.53Ga0.47As (100) epilayers lattice matched to InP substrates following the removal of a 100 nm protective arsenic cap at 410 °C. Both n-type (Si doped 5 × 1017 cm-3) and p-type (Be doped 5 × 1017 cm-3) InGaAs samples were subsequently exposed in situ to molecular sulphur at room temperature, and the resulting changes in the surface chemical composition were recorded. The photoemission spectra indicate evidence of As-S, Ga-S, and In-S bond formation and the substitution of As in the near surface region by sulphur. Annealing to 400 °C results in the complete removal of the As-S bonding component with both Ga-S and In-S bonding configurations remaining. After the anneal, the Fermi level position for both n-type and p-type samples resides at the top of the bandgap indicating a near flat band condition for n-type and significant band bending on the p-type sample. The results of angle resolved photoemission measurements suggest that the sulphur has substituted arsenic in the near surface region resulting in both samples displaying n-type surface behaviour. Annealing to higher temperatures results in the loss of In from the surface without any significant change in the Ga, As, or S signals. Work function measurements on both doping types after sulphur deposition and anneal show similar behaviour displaying a value close to 6 eV which is indicative of the formation of a surface dipole layer related to the presence of sulphur on the surface.

  18. Study of High Temperature Superconductors with Angle-Resolved Photoemission Spectroscopy

    SciTech Connect

    Dunn, Lisa

    2003-05-13

    The Angle Resolved Photoemission Spectroscopy (ARPES) recently emerged as a powerful tool for the study of highly correlated materials. This thesis describes the new generation of ARPES experiment, based on the third generation synchrotron radiation source and utilizing very high resolution electron energy and momentum analyzer. This new setup is used to study the physics of high temperature superconductors. New results on the Fermi surfaces, dispersions, scattering rate and superconducting gap in high temperature superconductors are presented.

  19. Photoemission studies of the vicinal SiC(100) 4° surface and the Cs/SiC(100) 4° interface

    NASA Astrophysics Data System (ADS)

    Benemanskaya, G. V.; Dementev, P. A.; Kukushkin, S. A.; Lapushkin, M. N.; Osipov, A. V.; Timoshnev, S. N.

    2016-12-01

    Photoemission studies of the electronic structure of the vicinal SiC(100) 4° surface, which was grown using a new substrate atom substitution method, and the Cs/SiC(100) 4° interface have been performed for the first time. The modification of spectra of the valence band and C 1s and Si 2 p core levels in the process of formation of the Cs/SiC(100) 4° interface was analyzed. The suppression of the surface SiC state with a binding energy of 2.8 eV and the formation of a cesium-induced state with a binding energy of 10.5 eV were observed. The modification of the complex component structure in the spectrum of C 1s core level has been detected and examined for the first time. It was found that Cs adsorption on the vicinal SiC(100) 4° surface results in intercalation of graphene islands on SiC(100) 4° with Cs atoms.

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

    NASA Astrophysics Data System (ADS)

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

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

  1. The surface core level shift for lithium at the surface of lithium borate

    NASA Astrophysics Data System (ADS)

    Wooten, David; Ketsman, I.; Xiao, Jie; Losovyj, Ya. B.; Petrosky, J.; McClory, J.; Burak, Ya. V.; Adamiv, V. T.; Dowben, P. A.

    2010-01-01

    The shallow Li 1s core level exhibits a surface-to-bulk core level shift for the stoichiometric Li 2B 4O 7(1 1 0) surface. Angle-resolved photoemission spectroscopy was used to indentify Li 1s bulk and surface core level components at binding energies -56.5±0.4 and -53.7±0.5 eV, respectively. We find photoemission evidence for surface states of Li 2B 4O 7(1 1 0) that exist in the gap of the projected bulk density of states. The existence of surface states is consistent with the large surface-to-bulk core level shift for the Li 1s core.

  2. Electronic properties of atomic layer deposition films, anatase and rutile TiO2 studied by resonant photoemission spectroscopy

    NASA Astrophysics Data System (ADS)

    Das, C.; Richter, M.; Tallarida, M.; Schmeisser, D.

    2016-07-01

    The TiO2 films are prepared by atomic layer deposition (ALD) method using titanium isopropoxide precursors at 250 °C and analyzed using resonant photoemission spectroscopy (resPES). We report on the Ti2p and O1s core levels, on the valence band (VB) spectra and x-ray absorption spectroscopy (XAS) data, and on the resonant photoelectron spectroscopy (resPES) profiles at the O1s and the Ti3p absorption edges. We determine the elemental abundance, the position of the VB maxima, the partial density of states (PDOS) in the VB and in the conduction band (CB) and collect these data in a band scheme. In addition, we analyze the band-gap states as well as the intrinsic states due to polarons and charge-transfer excitations. These states are found to cause multiple Auger decay processes upon resonant excitation. We identify several of these processes and determine their relative contribution to the Auger signal quantitatively. As our resPES data allow a quantitative analysis of these defect states, we determine the relative abundance of the PDOS in the VB and in CB and also the charge neutrality level. The anatase and rutile polymorphs of TiO2 are analyzed in the same way as the TiO2 ALD layer. The electronic properties of the TiO2 ALD layer are compared with the anatase and rutile polymorphs of TiO2. In our comparative study, we find that ALD has its own characteristic electronic structure that is distinct from that of anatase and rutile. However, many details of the electronic structure are comparable and we benefit from our spectroscopic data and our careful analysis to find these differences. These can be attributed to a stronger hybridization of the O2p and Ti3d4s states for the ALD films when compared to the anatase and rutile polymorphs.

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

    SciTech Connect

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

    2003-03-07

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

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

    SciTech Connect

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

    2003-10-14

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

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

    NASA Astrophysics Data System (ADS)

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

    2003-10-01

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

  6. Photoemission Studies on N-Substituted Dithienylated Phenothiazines.

    PubMed

    Fingerle, Mathias; Hemgesberg, Maximilian; Schmitt, Yvonne; Lach, Stefan; Gerhards, Markus; Thiel, Werner R; Ziegler, Christiane

    2015-06-22

    Dithienylated phenothiazines (DTPTs) with different functional groups attached to the central nitrogen atom are presented as a class of versatile metal-free chromophores for the design of dye-sensitized solar cells (DSSCs) and organic light-emitting diodes (OLEDs). The electronic characteristics of spin-coated thin films on polycrystalline gold were studied using photoelectron spectroscopy assisted by theoretical calculations, scanning force microscopy, and UV/Vis spectroscopy. Complementary fluorescence spectra show light emission in the blue region (465 nm). The absorption properties and good hole-transporting abilities make DTPTs feasible hole-transporting materials (HTM) and metal-free chromophores in UV-sensitive solar cell designs.

  7. Photoemission studies of classic and novel thermoelectric materials

    NASA Astrophysics Data System (ADS)

    Greanya, Viktoria Augusta

    Thermoelectric materials have been studied vigorously since the 1950s. Recent advances in materials synthesis and theory have rejuvinated the field in the last decade. The thermoelectric properties of materials are related to their electronic structure. In addition, many of these materials behave quasi-low-dimensionally, making them ideal candidates for study using angle resolved and angle integrated photoelectron spectroscopy (ARPES and AIPES). We report the first detailed study of the valence band electronic structure of Bi2Te3, Bi2Se3 and CsBi 4Te6 using ARPES and AIPES. Experimental results are compared with local density approximation (LDA) band structure calculations and (when available) with de Haas-van Alphen and Shubnikov-de Haas experiments. Bi2Te3 is currently the best room temperature thermoelectric material known. Dispersions of the valence bands were determined using ARPES. A six-fold k-space degeneracy in the valence band maximum is found. The quasi-two-dimensional nature of the electronic structure was demonstrated by the weakly dispersive bands along the Gamma-Z direction. The density of states (DOS) for this material was also studied using AIPES. Spectra were taken at multiple photon energies. Six valence band peaks were found. Good correspondence with the calculated DOS was found. Bi2Se3 is isostructural to Bi2Te 3 but its thermoelectric performance is significantly worse. The valence band dispersions for this material have been determined, as well as the DOS. We find the valence band maximum to be located at Gamma. Ten easily identifiable bands are seen within 4 eV of the Fermi level. The energy bands in the Gamma-Z direction are found to be flatter than those predicted by theory. The APES measurements revealed a total of nine bands, which correspond well to the calculated DOS. CsBi4Te6 is a novel thermoelectric material, recently discovered in the chemistry department of Michigan State University. This material exhibits quasi

  8. Photoemission studies of fluorine functionalized porous graphitic carbon

    SciTech Connect

    Ganegoda, Hasitha; Olive, Daniel; Cheng, Lidens; Segre, Carlo U.; Terry, Jeff; Jensen, David S.; Linford, Matthew R.

    2012-03-01

    Porous graphitic carbon (PGC) has unique properties desirable for liquid chromatography applications when used as a stationary phase. The polar retention effect on graphite (PREG) allows efficient separation of polar and non-polar solutes. Perfluorinated hydrocarbons however lack polarizabilty and display strong lipo- and hydrophobicity, hence common lipophilic and hydrophilic analytes have low partition coefficiency in fluorinated stationary phases. Attractive interaction between fluorinated stationary phase and fluorinated analytes results in strong retention compared to non-fluorinated analytes. In order to change the selectivities of PGC, it is necessary to develop a bonded PGC stationary phase. In this study, we have synthesized perfluorinated, PGC using hepatadecafluoro-1-iodooctane, under different temperature conditions. Surface functionalization of the raw material was studied using photoelectron spectroscopy (PES). Results indicate the existence of fluorine containing functional groups, -CF, -CF{sub 2} along with an intercalated electron donor species. Multiple oxygen functional groups were also observed, likely due to the presence of oxygen in the starting material. These oxygen species may be responsible for significant modifications to planer and tetrahedral carbon ratios.

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

    SciTech Connect

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

    2015-09-15

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

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

    NASA Astrophysics Data System (ADS)

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

    2016-08-01

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

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

    NASA Astrophysics Data System (ADS)

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

    1989-02-01

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

  12. Pronounced Surface Band Bending of Thin-Film Silicon Revealed by Modeling Core Levels Probed with Hard X-rays.

    PubMed

    Wippler, David; Wilks, Regan G; Pieters, Bart E; van Albada, Sacha J; Gerlach, Dominic; Hüpkes, Jürgen; Bär, Marcus; Rau, Uwe

    2016-07-13

    Enhancing the probing depth of photoemission studies by using hard X-rays allows the investigation of buried interfaces of real-world device structures. However, it also requires the consideration of photoelectron-signal attenuation when evaluating surface effects. Here, we employ a computational model incorporating surface band bending and exponential photoelectron-signal attenuation to model depth-dependent spectral changes of Si 1s and Si 2s core level lines. The data were acquired from hydrogenated boron-doped microcrystalline thin-film silicon, which is applied in silicon-based solar cells. The core level spectra, measured by hard X-ray photoelectron spectroscopy using different excitation energies, reveal the presence of a 0.29 nm thick surface oxide layer. In the silicon film a downward surface band bending of eVbb = -0.65 eV over ∼6 nm obtained via inverse modeling explains the observed core level shifts and line broadening. Moreover, the computational model allows the extraction of the "real" Si 1s and Si 2s bulk core level binding energies as 1839.13 and 150.39 eV, and their natural Lorentzian line widths as 496 and 859 meV, respectively. These values significantly differ from those directly extracted from the measured spectra. Because band bending usually occurs at material surfaces we highly recommend the detailed consideration of signal integration over depth for quantitative statements from depth-dependent measurements.

  13. LDA+DMFT approach to core-level spectroscopy: Application to 3 d transition metal compounds

    NASA Astrophysics Data System (ADS)

    Hariki, Atsushi; Uozumi, Takayuki; Kuneš, Jan

    2017-07-01

    We present a computational study of 2 p core-level x-ray photoemission spectra of transition metal monoxides M O (M =Ni ,Co,Mn) and sesquioxides M2O3 (M =V ,Cr,Fe) using a theoretical framework based on the local-density approximation + dynamical mean-field theory. We find a very good description of the fine spectral features, which is a considerable improvement over the conventional cluster model. We analyze the role of nonlocal screening and its relationship to long-range magnetic order and lattice geometry. Our results reveal the potential of the present method for the analysis and interpretation of modern high-energy-resolution experiments.

  14. The evolution of Ga and As core levels in the formation of Fe/GaAs (001):A high resolution soft x-ray photoelectron spectroscopic study

    SciTech Connect

    Thompson, Jamie; Neal, James; Shen, Tiehan; Morton, Simon; Tobin, James; Waddill, George Dan; Matthew, Jim; Greig, Denis; Hopkinson, Mark

    2008-07-14

    A high resolution soft x-ray photoelectron spectroscopic study of Ga and As 3d core levels has been conducted for Fe/GaAs (001) as a function of Fe thickness. This work has provided unambiguous evidence of substrate disrupting chemical reactions induced by the Fe overlayer--a quantitative analysis of the acquired spectra indicates significantly differing behavior of Ga and As during Fe growth, and our observations have been compared with existing theoretical models. Our results demonstrate that the outdiffusing Ga and As remain largely confined to the interface region, forming a thin intermixed layer. Whereas at low coverages Fe has little influence on the underlying GaAs substrate, the onset of substrate disruption when the Fe thickness reaches 3.5 Angstrom results in major changes in the energy distribution curves (EDCs) of both As and Ga 3d cores. Our quantitative analysis suggests the presence of two additional As environments of metallic character: one bound to the interfacial region and another which, as confirmed by in situ oxidation experiments, surface segregates and persists over a wide range of overlayer thickness. Analysis of the corresponding Ga 3d EDCs found not two, but three additional environments--also metallic in nature. Two of the three are interface resident whereas the third undergoes outdiffusion at low Fe coverages. Based on the variations of the integrated intensities of each component, we present a schematic of the proposed chemical makeup of the Fe/GaAs (001) system.

  15. The evolution of Ga and As core levels in the formation of Fe/GaAs (001): A high resolution soft x-ray photoelectron spectroscopic study

    SciTech Connect

    Thompson, Jamie D. W.; Neal, James R.; Shen, Tiehan H.; Morton, Simon A.; Tobin, James G.; Dan Waddill, G.; Matthew, Jim A. D.; Greig, Denis; Hopkinson, Mark

    2008-07-15

    A high resolution soft x-ray photoelectron spectroscopic study of Ga and As 3d core levels has been conducted for Fe/GaAs (001) as a function of Fe thickness. This work has provided unambiguous evidence of substrate disrupting chemical reactions induced by the Fe overlayer--a quantitative analysis of the acquired spectra indicates significantly differing behavior of Ga and As during Fe growth, and our observations have been compared with existing theoretical models. Our results demonstrate that the outdiffusing Ga and As remain largely confined to the interface region, forming a thin intermixed layer. Whereas at low coverages Fe has little influence on the underlying GaAs substrate, the onset of substrate disruption when the Fe thickness reaches 3.5 A results in major changes in the energy distribution curves (EDCs) of both As and Ga 3d cores. Our quantitative analysis suggests the presence of two additional As environments of metallic character: one bound to the interfacial region and another which, as confirmed by in situ oxidation experiments, surface segregates and persists over a wide range of overlayer thickness. Analysis of the corresponding Ga 3d EDCs found not two, but three additional environments--also metallic in nature. Two of the three are interface resident whereas the third undergoes outdiffusion at low Fe coverages. Based on the variations of the integrated intensities of each component, we present a schematic of the proposed chemical makeup of the Fe/GaAs (001) system.

  16. The Evolution of Ga and As Core Levels in the Formation of Fe/GaAs(001): A High Resolution Soft X-ray Photoelectron Spectroscopic Study

    SciTech Connect

    Thompson, J W; Neal, J R; Shen, T H; Morton, S A; Tobin, J G; Waddill, G D; Matthew, J D; Greig, D; Hopkinson, M

    2006-12-08

    A high resolution soft x-ray photoelectron spectroscopic study of Ga and As 3d core levels has been conducted for Fe/GaAs (001) as a function of Fe thickness. This work has provided unambiguous evidence of substrate disrupting chemical reactions induced by the Fe overlayer--a quantitative analysis of the acquired spectra indicates significantly differing behavior of Ga and As during Fe growth, and our observations have been compared with existing theoretical models. Our results demonstrate that the outdiffusing Ga and As remain largely confined to the interface region, forming a thin intermixed layer. Whereas at low coverages Fe has little influence on the underlying GaAs substrate, the onset of substrate disruption when the Fe thickness reaches 3.5 {angstrom} results in major changes in the energy distribution curves (EDCs) of both As and Ga 3d cores. Our quantitative analysis suggests the presence of two new As environments of metallic character; one bound to the interfacial region and another which, as confirmed by in-situ oxidation experiments, surface segregates and persists over a wide range of overlayer thickness. Analysis of the corresponding Ga 3d EDCs found not two, but three new environments--also metallic in nature. Two of the three are interface-resident whereas the third undergoes outdiffusion at low Fe coverages. Based on the variations of the integrated intensities of each component, we present a schematic of the proposed chemical make-up of the Fe/GaAs (001) system.

  17. Interaction between adsorbed hydrogen and potassium on a carbon nanocone containing material as studied by photoemission

    SciTech Connect

    Yu, Xiaofeng; Raaen, Steinar

    2015-09-14

    Hydrogen adsorption on a potassium doped carbon nanocone containing material was studied by photoelectron spectroscopy and work function measurement. The valence band spectra indicate that there is charge transfer from potassium to carbon. Upon deposition on carbon potassium is in its ionic state for lower doping and shows both ionic and metallic behavior at higher doping. Adsorption of hydrogen facilitates diffusion of potassium on the carbon material as seen by changes in the K{sub 2p} core level spectrum. Variations in the measured sample work function indicate that hydrogen initially adsorb on the K dopants and subsequently adsorb on the carbon cone containing material.

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

    NASA Astrophysics Data System (ADS)

    Lyo, In-Whan

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

  19. Angle Resolved Photoemission Study of a Mott Insulator and Its Evolution to a High Temperature Superconductor

    NASA Astrophysics Data System (ADS)

    Ronning, F.

    2002-03-01

    One of the most remarkable facts about the high temperature superconductors is their close proximity to an antiferromagnetically ordered Mott insulating phase. This fact suggests that to understand superconductivity in the cuprates we must first understand the insulating regime. Due to material properties the technique of angle resolved photoemission is ideally suited to study the electronic structure in the cuprates. Thus, a natural starting place to unlocking the secrets of high Tc would appears to be with a photoemission investigation of insulating cuprates. This dissertation presents the results of precisely such a study. In particular, we have focused on the compound Ca2-xNaxCuO2Cl2. With increasing Na content this system goes from an antiferromagnetic Mott insulator with a Neel transition of 256K to a superconductor with an optimal transition temperature of 28K. At half filling we have found an asymmetry in the integrated spectral weight, which can be related to the occupation probability, n(k). This has led us to identify a d-wave-like dispersion in the insulator, which in turn implies that the high energy pseudogap as seen by photoemission is a remnant property of the insulator. These results are robust features of the insulator which we found in many different compounds and experimental conditions. By adding Na we were able to study the evolution of the electronic structure across the insulator to metal transition. We found that the chemical potential shifts as holes are doped into the system. This picture is in sharp contrast to the case of La2-xSrxCuO4 where the chemical potential remains fixed and states are created inside the gap. Furthermore, the low energy excitations (ie the Fermi surface) in metallic Ca1.9Na0.1CuO2Cl2 is most well described as a Fermi arc, although the high binding energy features reveal the presence of shadow bands. Thus, the results in this dissertation provide a new avenue for understanding the evolution of the Mott insulator to

  20. Photoemission Electron Microscopy Study of Ultrathin FeNi Alloy Films on Cu(111)

    NASA Astrophysics Data System (ADS)

    Sato, Yu; Johnson, Tracey; Giacomo, Jason; Chiang, Shirley; Zhu, Xiangdong; Land, Donald; Nolting, Frithjof; Scholl, Andreas

    2002-03-01

    We are studying the system of FeNi/Cu(111) to understand and control the surface/interface magnetism relevant to the application of the giant magnetoresistive effect to magnetic recording heads. We used the Photoemission Electron Microscope (PEEM2) at the Advanced Light Source to observe the domain structures of the alloy films. PEEM has the unique capability of imaging the film's magnetic structure with high spatial resolution and elemental specificity. At two different thicknesses, we have made sixteen samples and studied the dependence of magnetic structure on varying Fe concentration and substrate quality. Samples with higher Fe content were non-magnetic at room temperature. We speculate this is a structure-driven effect related to the "Invar effect" in the bulk alloy. The PEEM images clearly show that Fe and Ni form a good alloy and have the same domain structures with their magnetization aligned. Further, we find a strong thickness and concentration dependence of the magnetic domain structures.

  1. Study of non-linear photoemission effects in III-V semiconductors

    SciTech Connect

    Tang, H.; Alley, R.K.; Aoyagi, H.

    1993-10-01

    Our experience at SLAC with photoemission-based polarized electron sources has shown that charge limit is an important phenomenon that may significantly limit the performance of a photocathode for applications requiring high intensity electron beams. In the process of developing high performance photocathodes for the ongoing and future SLC high energy physics programs, we have studied the various aspects of the charge limit phenomenon. We find that the charge limit effect arises as a result of non-linear response of a photocathode to high intensity light illumination. The size of the charge limit not only depends on the quantum efficiency of the cathode but also depends critically on the extraction electric field. In addition, we report the observation of charge oversaturation when the intensity of the incident light becomes too large.

  2. Photoemission spectroscopy study of the lanthanum lutetium oxide/silicon interface

    SciTech Connect

    Nichau, A.; Schnee, M.; Schubert, J.; Bernardy, P.; Hollaender, B.; Buca, D.; Mantl, S.; Besmehn, A.; Breuer, U.; Rubio-Zuazo, J.; Castro, G. R.; Muecklich, A.; Borany, J. von

    2013-04-21

    Rare earth oxides are promising candidates for future integration into nano-electronics. A key property of these oxides is their ability to form silicates in order to replace the interfacial layer in Si-based complementary metal-oxide field effect transistors. In this work a detailed study of lanthanum lutetium oxide based gate stacks is presented. Special attention is given to the silicate formation at temperatures typical for CMOS processing. The experimental analysis is based on hard x-ray photoemission spectroscopy complemented by standard laboratory experiments as Rutherford backscattering spectrometry and high-resolution transmission electron microscopy. Homogenously distributed La silicate and Lu silicate at the Si interface are proven to form already during gate oxide deposition. During the thermal treatment Si atoms diffuse through the oxide layer towards the TiN metal gate. This mechanism is identified to be promoted via Lu-O bonds, whereby the diffusion of La was found to be less important.

  3. Photoemission study of the electronic structure and charge density waves of Na₂Ti₂Sb₂O

    SciTech Connect

    Tan, S. Y.; Jiang, J.; Ye, Z. R.; Niu, X. H.; Song, Y.; Zhang, C. L.; Dai, P. C.; Xie, B. P.; Lai, X. C.; Feng, D. L.

    2015-04-30

    The electronic structure of Na₂Ti₂Sb₂O single crystal is studied by photon energy and polarization dependent angle-resolved photoemission spectroscopy (ARPES). The obtained band structure and Fermi surface agree well with the band structure calculation of Na₂Ti₂Sb₂O in the non-magnetic state, which indicates that there is no magnetic order in Na₂Ti₂Sb₂O and the electronic correlation is weak. Polarization dependent ARPES results suggest the multi-band and multi-orbital nature of Na₂Ti₂Sb₂O. Photon energy dependent ARPES results suggest that the electronic structure of Na₂Ti₂Sb₂O is rather two-dimensional. Moreover, we find a density wave energy gap forms below the transition temperature and reaches 65 meV at 7 K, indicating that Na₂Ti₂Sb₂O is likely a weakly correlated CDW material in the strong electron-phonon interaction regime. (author)

  4. Electronic structure and magnetic anisotropy of L10-FePt thin film studied by hard x-ray photoemission spectroscopy and first-principles calculations

    NASA Astrophysics Data System (ADS)

    Ueda, S.; Mizuguchi, M.; Miura, Y.; Kang, J. G.; Shirai, M.; Takanashi, K.

    2016-07-01

    We have studied the electronic structure of the L10 ordered FePt thin film by hard x-ray photoemission spectroscopy (HAXPES), cluster model, and first-principles calculations to investigate the relationship between the electronic structure and perpendicular magneto-crystalline anisotropy (MCA). The Fe 2p core-level HAXPES spectrum of the ordered film revealed the strong electron correlation in the Fe 3d states and the hybridization between the Fe 3d and Pt 5d states. By comparing the experimental valence band structure with the theoretical density of states, the strong electron correlation in the Fe 3d states modifies the valence band electronic structure of the L10 ordered FePt thin film through the Fe 3d-Pt 5d hybridization. These results strongly suggest that the strong electron correlation effect in the Fe 3d states and the Fe 3d-Pt 5d hybridization as well as the spin-orbit interaction in the Pt 5d states play important roles in the perpendicular MCA for L10-FePt.

  5. Electronic structure and magnetic anisotropy of L1{sub 0}-FePt thin film studied by hard x-ray photoemission spectroscopy and first-principles calculations

    SciTech Connect

    Ueda, S.; Mizuguchi, M.; Kang, J. G.; Takanashi, K.; Miura, Y.; Shirai, M.

    2016-07-25

    We have studied the electronic structure of the L1{sub 0} ordered FePt thin film by hard x-ray photoemission spectroscopy (HAXPES), cluster model, and first-principles calculations to investigate the relationship between the electronic structure and perpendicular magneto-crystalline anisotropy (MCA). The Fe 2p core-level HAXPES spectrum of the ordered film revealed the strong electron correlation in the Fe 3d states and the hybridization between the Fe 3d and Pt 5d states. By comparing the experimental valence band structure with the theoretical density of states, the strong electron correlation in the Fe 3d states modifies the valence band electronic structure of the L1{sub 0} ordered FePt thin film through the Fe 3d-Pt 5d hybridization. These results strongly suggest that the strong electron correlation effect in the Fe 3d states and the Fe 3d-Pt 5d hybridization as well as the spin-orbit interaction in the Pt 5d states play important roles in the perpendicular MCA for L1{sub 0}-FePt.

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

    NASA Astrophysics Data System (ADS)

    Bian, Guang

    Dirac cones centered at the time-reversal-invariant M¯ points at the zone boundary. The critical behavior of the TI film near the quantum critical point is also studied theoretically. When the strength of the spin-orbit coupling (SOC) is tuned across the critical point, the topological surface states, while protected by symmetry in the bulk limit, can be missing completely in topological films even at large film thicknesses. We have observed, using angle-resolved photoemission, a structural phase transformation of Bi films deposited on Si(111)-(7x7). Films with thicknesses 20 to ~100 A, upon annealing, first order into a metastable pseudocubic (PC) phase and then transform into a stable rhombohedral (RH) phase with very different topologies for the quantum well subband structures. The PC phase shows a surface band with a maximum near the Fermi level at G , whereas the RH phase shows a Dirac-like subband around M¯ along K¯ -- M¯ -- K¯ . The formation of the metastable phase over a wide thickness range can be attributed to a surface nucleation mechanism. Finally, we have studied the electronic structure of the Bi/Ag surface alloy, a system possessing a huge Rashba splitting in its surface bands. The Bi/Ag surface alloy is prepared by depositing Bi onto ultrathin Ag films followed by annealing. The electronic structure of the system is measured using circular angle resolved photoemission spectroscopy (CARPES). The results reveal two interesting phenomena: the hybridization of spin polarized surface states with Ag bulk quantum well states and the umklapp scattering by the perturbed surface potential. In addition, our CARPES spectra show clearly a unique dichroism pattern which is closely related to the spin texture of this 2D strongly spin-orbit coupled electron system.

  7. Scanning internal photoemission studies of sodium-contaminated metal-oxide-semiconductor capacitors

    NASA Astrophysics Data System (ADS)

    Bouthillier, T. M.; Young, L.; Tsoi, H. Y.

    1983-02-01

    Following DiStefano and also Williams and Woods we have used scanning internal photoemission to map barrier inhomogeneities in sodium-contaminated Al/SiO2/Si Metal-Oxide-Semiconductor capacitors. A computer controlled system was used with a He/Cd laser. A well-known and striking result of the previous work is that peaks tend to be found in the internal photoemission. In some cases these peaks have been attributed to the segregation of an initially uniform sodium ion distribution into clusters of a few μm diameter. This clustering occurred during a low temperature anneal under positive gate bias. The mechanism for the supposed segregation is of considerable interest. One possibility is that the segregation maps pre-existing inhomogeneities either in the silicon substrate or in the oxide. Another mechanism, proposed by Williams and Woods, involves the image force lowering of the potential energy of the sodium ions. The lowering is increased as the induced electron charge density in the silicon increases with progressive clustering. This positive feedback was proposed to lead to instability. A thermodynamic development of the model by Wojtowcz led to the concept of two-dimensional phase transitions in the sodium distribution. In the present work we report the result that peaks can be produced by a low temperature anneal with the sodium either at the Al/SiO2 interface or drifted to the Si/SiO2 interface. In the first case, the sodium must be drifted to the silicon side before the peaks appear. This may show that nucleation centers are produced by the anneal and mapped by the sodium. Alternatively, if un-nucleated segregation occurs it must be a function of sodium in SiO2 rather than of sodium near the Si/SiO2 interface. Correlation with weak spot breakdown was again observed and the effects of using HCl oxides were studied.

  8. The surface study of ReFeO3 (Re =Lu, Yb) thin films by X-ray Photoemission Spectroscopy and Density Function Calculation

    NASA Astrophysics Data System (ADS)

    Cao, Shi; Paudel, Tula; Sinha, Kishan; Jiang, Xuanyuan; Wang, Wenbin; Tsymbal, Evgeny; Xu, Xiaoshan; Dowben, Peter

    2015-03-01

    The rare-earth ferrites, ReFeO3, may have a large magneto-electric response, with high surface/interface polarization, thus the surfaces are of considerable interest. We have characterized the surfaces of hexagonal ReFeO3 (Re = Lu, Yb) and orthorhombic LuFeO3 thin films by angle resolved X-ray photoemission spectroscopy (ARXPS) and compared with density function theory (DFT). The surfaces will terminate in either Fe-O or Re-O depending on whether in the hexagonal or orthorhombic phase of the rare earth ferrite, but consistent with the expectations of DFT. The orthorhombic or hexagonal phases of these rare earth ferrites have the Fe in different crystal fields, which in turn affects the of Fe-O ligands. These changes in electronegativity are experimentally evident as differences in the Fe 2p core level photoemission satellite features. Surface preparation also effects surface termination and will be discussed.

  9. The effect of low-temperature annealing on ferromagnetic Ga1-xMnxAs thin films studied by photoemission spectroscopy

    NASA Astrophysics Data System (ADS)

    Ji, C. J.; He, H. T.; Cao, X. C.; Qiu, K.; Zhong, F.; Li, X. H.; Han, Q. F.; Xu, F. Q.; Wang, J. N.; Wang, Y. Q.

    2007-06-01

    A systematic photoemission and variable temperature resistivity measurements are carried out on Ga0.946Mn0.054As ferromagnetic semiconductors. It is showed that the Mn 3d valence band and the As 3d core-level spectrum are modified by the annealing treatment. Correlating these modifications with the observed changes in the resistivity and Curie temperatures, we have identified that the low-temperature annealing most likely induces three changes: interstitial Mn out-diffusion, slight increase of the substitution Mn components, and reduction of excess As.

  10. Predicting core level binding energies shifts: Suitability of the projector augmented wave approach as implemented in VASP.

    PubMed

    Pueyo Bellafont, Noèlia; Viñes, Francesc; Hieringer, Wolfgang; Illas, Francesc

    2017-03-30

    Here, we assess the accuracy of various approaches implemented in Vienna ab initio simulation package code to estimate core-level binding energy shifts (ΔBEs) using a projector augmented wave method to treat core electrons. The performance of the Perdew-Burke-Ernzerhof (PBE) and the Tao-Perdew-Staroverov-Scuseria (TPSS) exchange-correlation density functionals is examined on a dataset of 68 molecules containing B→F atoms in diverse chemical environments, accounting for 185 different 1s core level binding energy shifts, for which both experimental gas-phase X-ray photoemission (XPS) data and accurate all electron ΔBEs are available. Four procedures to calculate core-level shifts are investigated. Janak-Slater transition state approach yields mean absolute errors of 0.37 (0.21) eV at PBE (TPSS) level, similar to highly accurate all electron ΔSCF approaches using same functionals, and close to XPS experimental accuracy of 0.1 eV. The study supports the use of these procedures to assign ΔBEs of molecular moieties on material surfaces of interest in surface science, nanotechnology, and heterogeneous catalysis. © 2017 Wiley Periodicals, Inc.

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

    NASA Astrophysics Data System (ADS)

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

    2016-05-01

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

  12. Structural studies of molecular and metallic overlayers using angle- resolved photoemission extended fine structure

    SciTech Connect

    Huang, Zhengqing

    1992-10-01

    Angle-resolved photoemission extended fine structure (ARPEFS) was used to study molecular and metallic overlayers on metal surfaces through analysis of p2mg(2x1)CO/Ni(110) and the p(2x2)K/Ni(111) adsorption. For the dense p2mg(2x1)CO/Ni(110) surface layer, photoemission intensities from C 1s level were measured in three directions at photoelectron kinetic energies 60-400 eV. Using multiple-scattering spherical-wave (MSSW) modeling, it was found that CO molecules are adsorbed on short-bridge sites, with adjacent CO along the [110] direction displaced alternatively in opposite directions towards the [001] azimuths to form a zigzag chain geometry. The tilt angle is 16±2° from the surface normal for the direction linking the C atom and the center of the Ni bridge. The carbon C-Ni interatomic distance was determined to be 1.94±0.02Å. The first- to second-layer spacing of Ni is 1.27±0.04Å, up from 1.10Å for the clean Ni(110) surface, but close to the 1.25Å Ni interlayer spacing in the bulk. The C-O bond length and tilt angle were varied within small ranges (1.10--1.20Å and 15--23°) in our MSSW simulations. Best agreement between experiment and simulations was achieved at 1.16Å and 19°. This yields an O-O distance of 2.95Å for the two nearest CO molecules, (van der Waals` radius ~ 1.5 Å for oxygen). Two different partial-wave phase-shifts were used in MSSW, and structural results from both are in very good agreement. For the p(2x2)K/Ni(111) overlayer, ARPEFS {chi}(k) curves from K 1s level measured along [111] and [771] at 130K showed that the K atoms are preferentially adsorbed on the atop sites, in agreement with a LEED study of the same system.

  13. Structural studies of molecular and metallic overlayers using angle- resolved photoemission extended fine structure

    SciTech Connect

    Huang, Z.

    1992-10-01

    Angle-resolved photoemission extended fine structure (ARPEFS) was used to study molecular and metallic overlayers on metal surfaces through analysis of p2mg(2[times]1)CO/Ni(110) and the p(2[times]2)K/Ni(111) adsorption. For the dense p2mg(2[times]1)CO/Ni(110) surface layer, photoemission intensities from C 1s level were measured in three directions at photoelectron kinetic energies 60-400 eV. Using multiple-scattering spherical-wave (MSSW) modeling, it was found that CO molecules are adsorbed on short-bridge sites, with adjacent CO along the [110] direction displaced alternatively in opposite directions towards the [001] azimuths to form a zigzag chain geometry. The tilt angle is 16[plus minus]2[degree] from the surface normal for the direction linking the C atom and the center of the Ni bridge. The carbon C-Ni interatomic distance was determined to be 1.94[plus minus]0.02[Angstrom]. The first- to second-layer spacing of Ni is 1.27[plus minus]0.04[Angstrom], up from 1.10[Angstrom] for the clean Ni(110) surface, but close to the 1.25[Angstrom] Ni interlayer spacing in the bulk. The C-O bond length and tilt angle were varied within small ranges (1.10--1.20[Angstrom] and 15--23[degrees]) in our MSSW simulations. Best agreement between experiment and simulations was achieved at 1.16[Angstrom] and 19[degrees]. This yields an O-O distance of 2.95[Angstrom] for the two nearest CO molecules, (van der Waals' radius [approximately] 1.5 [Angstrom] for oxygen). Two different partial-wave phase-shifts were used in MSSW, and structural results from both are in very good agreement. For the p(2[times]2)K/Ni(111) overlayer, ARPEFS [chi](k) curves from K 1s level measured along [111] and [771] at 130K showed that the K atoms are preferentially adsorbed on the atop sites, in agreement with a LEED study of the same system.

  14. Angle-resolved photoemission spectroscopy studies of metallic surface and interface states of oxide insulators.

    PubMed

    Plumb, Nicholas C; Radović, Milan

    2017-09-29

    Over the last decade, conducting states embedded in insulating transition metal oxides (TMOs) have served as gateways to discovering and probing surprising phenomena that can emerge in complex oxides, while also opening opportunities for engineering advanced devices. These states are commonly realized at thin film interfaces, such as the well-known case of LaAlO3 (LAO) grown on SrTiO3 (STO). In recent years, the use of angle-resolved photoemission spectroscopy (ARPES) to investigate the k-space electronic structure of such materials led to the discovery that metallic states can also be formed on the bare surfaces of certain TMOs. In this topical review, we report on recent studies of low-dimensional metallic states confined at insulating oxide surfaces and interfaces as seen from the perspective of ARPES, which provides a direct view of the occupied band structure. While offering a fairly broad survey of progress in the field, we draw particular attention to STO, whose surface is so far the best-studied, and whose electronic structure is probably of the most immediate interest, given the ubiquitous use of STO substrates as the basis for conducting oxide interfaces. The ARPES studies provide crucial insights into the electronic band structure, orbital character, dimensionality/confinement, spin structure, and collective excitations in STO surfaces and related oxide surface/interface systems. The obtained knowledge increases our understanding of these complex materials and gives new perspectives on how to manipulate their properties.

  15. X-ray photoemission electron microscopy for the study of semiconductor materials

    SciTech Connect

    Anders, S.; Stammler, T.; Padmore, H.; Terminello, L.J.; Jankowski, A.F.; Stohr, J.; Diaz, J.; Cossy-Gantner, A.

    1998-03-01

    Photoemission Electron Microscopy (PEEM) using X-rays is a novel combination of two established materials analysis techniques--PEEM using UV light, and Near Edge X-ray Absorption Fine Structure (NEXAFS) spectroscopy. This combination allows the study of elemental composition and bonding structure of the sample by NEXAFS spectroscopy with a high spatial resolution given by the microscope. A simple, two lens, 10 kV operation voltage PEEM has been used at the Stanford Synchrotron Radiation Laboratory and at the Advanced Light Source (ALS) in Berkeley to study various problems including materials of interest for the semiconductor industry. In the present paper the authors give a short overview over the method and the instrument which was used, and describe in detail a number of applications. These applications include the study of the different phases of titanium disilicide, various phases of boron nitride, and the analysis of small particles. A brief outlook is given on possible new fields of application of the PEEM technique, and the development of new PEEM instruments.

  16. Study of the P3HT/PCBM interface using photoemission yield spectroscopy

    NASA Astrophysics Data System (ADS)

    Grzibovskis, Raitis; Vembris, Aivars

    2016-04-01

    Photogeneration efficiency and charge carrier extraction from active layer are the parameters that determine the efficiency of organic photovoltaics (OPVs). Devices made of organic materials often consist of thin (up to 100nm) layers. At this thickness different interface effects become more pronounced. The electron affinity and ionization energy shift can affect the charge carrier transport across metal-organic interface which can affect the performance of the entire device. In the case of multilayer OPVs, energy level compatibility at the organic-organic interface is as important. Photoemission yield spectroscopy was used for organic-organic interface study by ionization energy measurements. In this work we studied "sandwich" type samples of two well-known organic photovoltaic materials- poly(3- hexylthiophene-2,5-diyl) (P3HT) and [6,6]-phenyl C61 butyric acid methyl ester (PCBM). Ionization energy changes at the P3HT/PCBM interface depending on PCBM layer thickness were studied. P3HT layer was obtained by spin-coating while PCBM was deposited on the P3HT by thermal evaporation in vacuum. No ionization energy shift of P3HT was observed. On the contrary, PCBM at the interface with P3HT created additional 0.40eV barrier for hole transport from PCBM to P3HT.

  17. Manifestation of screening effects and A-O covalency in the core level spectra of A site elements in the ABO3 structure of Ca1-xSrxRuO3

    NASA Astrophysics Data System (ADS)

    Singh, Ravi Shankar; Maiti, Kalobaran

    2007-08-01

    We investigate the evolution of Ca2p and Sr3d core level spectra in Ca1-xSrxRuO3 using photoemission spectroscopy. Core level spectra in this system exhibit multiple features and unusual evolution with the composition and temperatures. Analysis of the core level spectra in conjunction with the band structure results indicates final state effects due to different core hole screening channels. Such screening in the photoemission final states can be attributed to the large A-O covalency in these systems. Changes in the core level spectra with temperature and composition suggest significant modification in A-O (A=Ca/Sr) covalency in Ca-dominated samples, which gradually reduces with the increase in Sr content and becomes insignificant in SrRuO3 . This study thus provides a direct evidence of cation-oxygen covalency and its evolution with temperature, which may be useful in understanding the unusual ground state properties of these materials.

  18. Resonant photoemission spectroscopic studies of SnO2 thin films

    NASA Astrophysics Data System (ADS)

    Kumar, Sunil; Chauhan, R. S.; Panchal, Gyanendra; Singh, C. P.; Dar, Tanveer A.; Phase, D. M.; Choudhary, R. J.

    2017-09-01

    We report the structural and electronic properties of single phase, polycrystalline rutile tetragonal SnO2 thin film grown on Si (100) substrate by pulsed laser deposition technique. X-ray photoelectron and resonant photoemission spectroscopic (RPES) studies divulge that Sn is present in 4+ (˜91%) valence state with a very small involvement of 2+ (˜9%) valence state at the surface. Valence band spectrum of the film shows prominent contribution due to the Sn4+ valence state. RPES measurements were performed in the Sn 4d→5p photo absorption region. This study shows that O-2p, Sn-5s, and Sn-5p partial density of states are the main contributions to the valence band of this material. The resonance behavior of these three contributions has been analyzed. Constant initial state versus photon energy plots suggest that the low binding energy feature at ˜2.8 eV results from the hybridization of the O-2p and mixed valence states of Sn, while remaining features at higher binding energies are due to the hybridization between O-2p (bonding) orbitals and Sn4+ valence state.

  19. A soft x-ray photoemission study of the chemisorption and reaction of diethylsilane on Si(100)

    SciTech Connect

    Lapiano-Smith, D.A.; Himpsel, F.J.; Terminello, L.J.

    1993-06-01

    Soft x-ray synchrotron radiation was utilized as the excitation source in a high-resolution photoemission experiment on chemisorption and subsequent reaction of diethylsilane on the Si(100) surface. We have found that diethylsilane chemisorbs dissociatively to form Si-CH{sub 2}CH{sub 3} surface species on Si(100) following a room temperature exposure. These species are identified by two very sharp peaks observed in the valence band spectra positioned at 17.9 and 14.3 eV binding energy. In addition, C 1s core level spectra, measured following exposures of Si(100) substrates as a function of surface temperature, show that carbon, in some form, exists on the Si surface following exposures at every temperature from room temperature to about 600C. While only {minus}CH{sub 2}CH{sub 3}, ethyl groups are observed on the surface at room temperature, these species appear to partially dehydrogenate at 300C, producing a mixture of {minus}CH{sub 2}CH{sub 3} groups and other intermediate carbonaceous species. At a growth temperature of about 400C the intermixing of elemental carbon with Si begins. At higher temperatures, we observe the continued degradation of diethylsilane to produce a Si + C alloy on the surface at 600C. Results indicate that diethylsilane has potential as a molecular precursor for SiC formation by chemical vapor deposition techniques.

  20. PHOTOEMISSION PROPERTIES OF LEAD.

    SciTech Connect

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

    2004-07-05

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

  1. An x-ray photoemission electron microscope using an electron mirror aberration corrector for the study of complex materials

    NASA Astrophysics Data System (ADS)

    Feng, J.; Forest, E.; MacDowell, A. A.; Marcus, M.; Padmore, H.; Raoux, S.; Robin, D.; Scholl, A.; Schlueter, R.; Schmid, P.; Stöhr, J.; Wan, W.; Wei, D. H.; Wu, Y.

    2005-04-01

    A new ultrahigh-resolution photoemission electron microscope called PEEM3 is being developed at the advanced light source (ALS). An electron mirror combined with a sophisticated magnetic beam separator is used to provide simultaneous correction of spherical and chromatic aberrations. Installed on an elliptically polarized undulator beamline, PEEM3 will be operated with very high spatial resolution and high flux to study the composition, structure, electric and magnetic properties of complex materials.

  2. The formation of the reacted interface for the Si/Cu/Pd system: An ultraviolet photoemission study

    NASA Astrophysics Data System (ADS)

    Abbati, I.; Carbone, C.; Ciucci, G.; Michelis, B. De; Fasana, A.; Mondini, R.

    1983-12-01

    Various coverage of Pd were deposited on substrates formed by few layers of Cu on Si (111) face at room temperature. Photoemission results show that the formation of Pd 2 Si-like compound is strongly inhibited by the presence of the Cu/Si interlayer and suggest that for the studied system the heat of formation of the compound is not the only parameter that controls the thickness of the intermixed region.

  3. Synchrotron radiation photoemission study of metal overlayers on hydrogenated amorphous silicon at room temperature

    SciTech Connect

    Pi, J.

    1990-09-21

    In this dissertation, metals deposited on a hydrogenated amorphous silicon (a-Si:H) film at room temperature are studied. The purpose of this work is mainly understanding the electronic properties of the interface, using high-resolution synchrotron radiation photoemission techniques as a probe. Atomic hydrogen plays an important role in passivating dangling bonds of a-Si:H films, thus reducing the gap-state distribution. In addition, singly bonded hydrogen also reduces states at the top of the valence band which are now replaced by deeper Si-H bonding states. The interface is formed by evaporating metal on an a-Si:H film in successive accumulations at room temperature. Au, Ag, and Cr were chosen as the deposited metals. Undoped films were used as substrates. Since some unique features can be found in a-Si:H, such as surface enrichment of hydrogen diffused from the bulk and instability of the free surface, we do not expect the metals/a-Si:H interface to behave exactly as its crystalline counterpart. Metal deposits, at low coverages, are found to gather preferentially around regions deficient in hydrogen. As the thickness is increased, some Si atoms in those regions are likely to leave their sites to intermix with metal overlayers like Au and Cr. 129 refs., 30 figs.

  4. Effects of spin excitons on the surface states of SmB6: A photoemission study

    NASA Astrophysics Data System (ADS)

    Arab, Arian; Gray, A. X.; Nemšák, S.; Evtushinsky, D. V.; Schneider, C. M.; Kim, Dae-Jeong; Fisk, Zachary; Rosa, P. F. S.; Durakiewicz, T.; Riseborough, P. S.

    2016-12-01

    We present the results of a high-resolution valence-band photoemission spectroscopic study of SmB6 which shows evidence for a V-shaped density of states of surface origin within the bulk gap. The spectroscopy data are interpreted in terms of the existence of heavy 4 f surface states, which may be useful in resolving the controversy concerning the disparate surface Fermi-surface velocities observed in experiments. Most importantly, we find that the temperature dependence of the valence-band spectrum indicates that a small feature appears at a binding energy of about -9 meV at low temperatures. We attribute this feature to a resonance caused by the spin-exciton scattering in SmB6 which destroys the protection of surface states due to time-reversal invariance and spin-momentum locking. The existence of a low-energy spin exciton may be responsible for the scattering, which suppresses the formation of coherent surface quasiparticles and the appearance of the saturation of the resistivity to temperatures much lower than the coherence temperature associated with the opening of the bulk gap.

  5. Band alignments in Fe/graphene/Si(001) junctions studied by x-ray photoemission spectroscopy

    SciTech Connect

    Le Breton, J.-C. Tricot, S.; Delhaye, G.; Lépine, B.; Turban, P.; Schieffer, P.

    2016-08-01

    The control of tunnel contact resistance is of primary importance for semiconductor-based spintronic devices. This control is hardly achieved with conventional oxide-based tunnel barriers due to deposition-induced interface states. Manipulation of single 2D atomic crystals (such as graphene sheets) weakly interacting with their substrate might represent an alternative and efficient way to design new heterostructures for a variety of different purposes including spin injection into semiconductors. In the present paper, we study by x-ray photoemission spectroscopy the band alignments and interface chemistry of iron–graphene-hydrogenated passivated silicon (001) surfaces for a low and a high n-doping concentration. We find that the hydrogen passivation of the Si(001) surface remains efficient even with a graphene sheet on the Si(001) surface. For both doping concentrations, the semiconductor is close to flat-band conditions which indicates that the Fermi level is unpinned on the semiconductor side of the Graphene/Si(001):H interface. When iron is deposited on the graphene/Si(001):H structures, the Schottky barrier height remains mainly unaffected by the metallic overlayer with a very low barrier height for electrons, a sought-after property in semiconductor based spintronic devices. Finally, we demonstrate that the graphene layer intercalated between the metal and semiconductor also serves as a protection against iron-silicide formation even at elevated temperatures preventing from the formation of a Si-based magnetic dead layer.

  6. Bi2-Bi2Se3 Superlattice Materials Studied by Photoemission Spectroscopy

    NASA Astrophysics Data System (ADS)

    Weber, Andrew; Pletikosic, Ivo; Gibson, Quinn; Ji, Huiwen; Schoop, Leslie; Sadowski, Jurek; Caruso, Anthony; Vescovo, Elio; Fedorov, Alexei; Cava, Robert; Valla, Tonica

    2014-03-01

    Although searches are carried out independently for new 2D quantum spin Hall or 3D topological materials for their robust, spin-polarized edge or surface conduction states, little has been done to experimentally show that both phases can coexist in a single material or explore how they may interact. The superlattice series Bi2m(Bi2Se3)n , featuring stacked layers of Bi2 and Bi2Se3, may contain systems where a combination of 2D and 3D topological phenomena should be at play, the latter of which can be identified by combined computational and spin-and angle-resolved photoemission spectroscopy studies. We find that several members of the series, (m =0, n =1), (m =1, n =1) and (m =2, n =1) have spin-chiral surface states at the center of the surface Brillouin zone, a trait of strong topological insulators. The characterization of the topological surface states will be discussed for these series members.

  7. Effects of spin excitons on the surface states of SmB6 : A photoemission study

    DOE PAGES

    Arab, Arian; Gray, A. X.; Nemšák, S.; ...

    2016-12-12

    We present the results of a high-resolution valence-band photoemission spectroscopic study of SmB 6 which shows evidence for a V-shaped density of states of surface origin within the bulk gap. The spectroscopy data are interpreted in terms of the existence of heavy 4 f surface states, which may be useful in resolving the controversy concerning the disparate surface Fermi-surface velocities observed in experiments. Most importantly, we find that the temperature dependence of the valence-band spectrum indicates that a small feature appears at a binding energy of about - 9 meV at low temperatures. We also attribute this feature to amore » resonance caused by the spin-exciton scattering in SmB 6 which destroys the protection of surface states due to time-reversal invariance and spin-momentum locking. Thus, the existence of a low-energy spin exciton may be responsible for the scattering, which suppresses the formation of coherent surface quasiparticles and the appearance of the saturation of the resistivity to temperatures much lower than the coherence temperature associated with the opening of the bulk gap.« less

  8. Photoemission study of the electronic structure and charge density waves of Na₂Ti₂Sb₂O

    DOE PAGES

    Tan, S. Y.; Jiang, J.; Ye, Z. R.; ...

    2015-04-30

    The electronic structure of Na₂Ti₂Sb₂O single crystal is studied by photon energy and polarization dependent angle-resolved photoemission spectroscopy (ARPES). The obtained band structure and Fermi surface agree well with the band structure calculation of Na₂Ti₂Sb₂O in the non-magnetic state, which indicates that there is no magnetic order in Na₂Ti₂Sb₂O and the electronic correlation is weak. Polarization dependent ARPES results suggest the multi-band and multi-orbital nature of Na₂Ti₂Sb₂O. Photon energy dependent ARPES results suggest that the electronic structure of Na₂Ti₂Sb₂O is rather two-dimensional. Moreover, we find a density wave energy gap forms below the transition temperature and reaches 65 meV atmore » 7 K, indicating that Na₂Ti₂Sb₂O is likely a weakly correlated CDW material in the strong electron-phonon interaction regime. (author)« less

  9. Angle-resolved photoemission studies of lattice polaron formation in the cuprate Ca2CuO2Cl2

    SciTech Connect

    Shen, K.M.

    2010-05-03

    To elucidate the nature of the single-particle excitations in the undoped parent cuprates, we have performed a detailed study of Ca{sub 2}CuO{sub 2}Cl{sub 2} using photoemission spectroscopy. The photoemission lineshapes of the lower Hubbard band are found to be well-described by a polaron model. By comparing the lineshape and temperature dependence of the lower Hubbard band with additional O 2p and Ca 3p states, we conclude that the dominant broadening mechanism arises from the interaction between the photohole and the lattice. The strength of this interaction was observed to be strongly anisotropic and may have important implications for the momentum dependence of the first doped hole states.

  10. Low-energy electron diffraction and photoemission study of epitaxial films of Cu on Ag l brace 001 r brace

    SciTech Connect

    Li, H.; Tian, D.; Quinn, J.; Li, Y.S.; Jona, F. ); Marcus, P.M. )

    1991-03-15

    The epitaxy of Cu on Ag{l brace}001{r brace} is studied by qualitative and quantitative low-energy electron diffraction (LEED) and by angle-resolved photoemission. LEED indicates that ultrathin (two- to three-atomic-layer) films have a limited amount of long-range order, and the ordered component has interlayer spacings of 1.45{plus minus}0.06 A, which compares well with the theoretically determined cubic lattice constant 2.87{plus minus}0.06 A of a metastable body-centered-cubic (bcc) modification of Cu. Thicker (10- to 12-layer) films have almost no long-range order, and photoemission indicates that regions of bcc and fcc Cu coexist amid large amounts of defects.

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

    SciTech Connect

    Tobin, J G

    1998-07-01

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

  12. Trends in adsorbate induced core level shifts

    NASA Astrophysics Data System (ADS)

    Nilsson, Viktor; Van den Bossche, Maxime; Hellman, Anders; Grönbeck, Henrik

    2015-10-01

    Photoelectron core level spectroscopy is commonly used to monitor atomic and molecular adsorption on metal surfaces. As changes in the electron binding energies are convoluted measures with different origins, calculations are often used to facilitate the decoding of experimental signatures. The interpretation could in this sense benefit from knowledge on trends in surface core level shifts for different metals and adsorbates. Here, density functional theory calculations have been used to systematically evaluate core level shifts for (111) and (100) surfaces of 3d, 4d, and 5d transition metals upon CO, H, O and S adsorption. The results reveal trends and several non-intuitive cases. Moreover, the difficulties correlating core level shifts with charging and d-band shifts are underlined.

  13. Linear-Response and Real-Time Time-Dependent Density Functional Theory Studies of Core-Level Near-Edge X-Ray Absorption.

    PubMed

    Lopata, K; Van Kuiken, B E; Khalil, M; Govind, N

    2012-09-11

    We discuss our implementation and application of time-dependent density functional theory (TDDFT) to core-level near-edge absorption spectroscopy, using both linear-response (LR) and real-time (RT) approaches. We briefly describe our restricted excitation window TDDFT (REW-TDDFT) approach for core excitations, which has also been reported by other groups. This is followed by a detailed discussion of real-time TDDFT techniques tailored to core excitations, including obtaining spectral information through delta-function excitation, postprocessing time-dependent signals, and resonant excitation through quasi-monochromatic excitation. We present results for the oxygen K-edge of water and carbon monoxide; the carbon K-edge of carbon monoxide; the ruthenium L3-edge for the hexaamminerutheium(III) ion, including scalar relativistic corrections via the zeroth order regular approximation (ZORA); and the carbon and fluorine K-edges for a series of fluorobenzenes. In all cases, the calculated spectra are found to be in reasonable agreement with experimental results, requiring only a uniform shift ranging from -4 eV to +19 eV, i.e., on the order of a few percent of the excitation energy. Real-time TDDFT visualization of excited state charge densities is used to visually examine the nature of each excitation, which gives insight into the effects of atoms bound to the absorbing center.

  14. Nanopaleomagnetism of meteoritic Fe-Ni studied using X-ray photoemission electron microscopy

    NASA Astrophysics Data System (ADS)

    Bryson, James F. J.; Herrero-Albillos, Julia; Kronast, Florian; Ghidini, Massimo; Redfern, Simon A. T.; van der Laan, Gerrit; Harrison, Richard J.

    2014-06-01

    X-ray photoemission electron microscopy (XPEEM) enables natural remanent magnetisation to be imaged with ˜30 nm resolution across a field of view of 5-20 μm. The method is applied to structural features typical of the Widmanstätten microstructure (kamacite - tetrataenite rim - cloudy zone - plessite) in the Tazewell IIICD iron meteorite. Kamacite lamellae and the tetrataenite rim are multidomain, whereas plessite consists of laths of different phases displaying a range of stable magnetisation directions. The cloudy zone (CZ) displays a complex interlocking domain pattern resulting from nanoscale islands of tetrataenite with easy axes distributed along three possible crystallographic directions. Quantitative analysis of the coarse and intermediate CZ was achieved using a combination of image simulations and histogram profile matching. Remanence information was extracted from individual regions of interest ˜400 nm wide, demonstrating for the first time the capability of XPEEM to perform quantitative paleomagnetic analysis at sub-micron length scales. The three tetrataenite easy axis orientations occur with equal probability in the coarse and intermediate CZ, suggesting that spinodal decomposition in these regions was not strongly influenced by internal interaction fields, and that they are suitable candidates for future paleomagnetic studies. The fine CZ shows a strong dominance of one easy axis. This effect is attributed to island-island exchange interactions that render the fine CZ unsuitable for paleomagnetic study. Variations in the relative strength (proportion of dominant easy axis) and direction (direction of dominant easy axis) of a paleomagnetic field can be resolved from different regions of the CZ using XPEEM, raising the prospect of obtaining a time-resolved measurement of the active dynamo period in meteorites originating from the upper unmelted regions of differentiated asteroids (e.g. chondrites, pallasites, mesosiderites).

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

    NASA Astrophysics Data System (ADS)

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

    1996-09-01

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

  16. Hard and soft x-ray standing-wave photoelectron spectroscopy and angle-resolved photoemission spectroscopy study of LaNiO3/SrTiO 3 superlattice and its interfaces

    NASA Astrophysics Data System (ADS)

    Eiteneer, Daria N.

    Abstract Many classes of materials that exhibit interesting characteristics in the modulation of the electronic and magnetic properties when they are made of more than one compound, often arranged in multilayers and superlattices. In such cases, the electronic, electric, and magnetic properties of the multilayer, as well as their densities-of-states, are vastly different from the properties of the constituent materials, with the most important features often located at the interfaces. Specifically, perovskite nickelates are examples of materials that lie at the heart of correlated electron physics. Prior studies have been done on superlattices that contain multilayers of two perovskites. Specifically, it has been shown that LaNiO3 (LNO) undergoes a Mott metal-insulator transition when sandwiched between the layers of SrTiO3 (STO). However, even with prior theoretical simulations and experimental studies, no conclusion has been reached so far as to the exact reason for such a transition. To further the investigation of these ideas, we are undertaking a detailed study of the electronic structure of a LaNiO3/SrTiO3 superlattice with 10 repeats of [4 unit-cell LNO/3 unit-cell STO] bilayer grown on an (LaAlO3)0.3(Sr2AlTaO6)0.7 substrate. To provide a complete characterization of this superlattice, it is crucial to characterize the core levels of the atoms at the interface, as well as to measure the depth-dependent density of states and the element-specific magnetization through the interface. The standing-wave photoemission technique provides a unique capability for characterizing the LNO/STO interfaces by depth-resolving the electronic structure of the superlattice, particularly in its momentum-resolving form of standing-wave angle-resolved photoemission using soft x-rays in the ca. 1 keV regime. The main advantages of SW-XPS are its non-destructiveness, large effective attenuation length, and the enhanced depth resolution for buried interfaces via standing

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

    SciTech Connect

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

    1997-11-01

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

  18. Hard X-ray photoemission study of the Fabre salts (TMTTF)2X (X = SbF6 and PF6)

    NASA Astrophysics Data System (ADS)

    Medjanik, Katerina; de Souza, Mariano; Kutnyakhov, Dmytro; Gloskovskii, Andrei; Müller, Jens; Lang, Michael; Pouget, Jean-Paul; Foury-Leylekian, Pascale; Moradpour, Alec; Elmers, Hans-Joachim; Schönhense, Gerd

    2014-11-01

    Core-level photoemission spectra of the Fabre salts with X = SbF6 and PF6 were taken using hard X-rays from PETRA III, Hamburg. In these salts TMTTF layers show a significant stack dimerization with a charge transfer of 1 e per dimer to the anion SbF6 or PF6. At room temperature and slightly below the core-level spectra exhibit single lines, characteristic for a well-screened metallic state. At reduced temperatures progressive charge localization sets in, followed by a 2nd order phase transition into a charge-ordered ground state. In both salts groups of new core-level signals occur, shifted towards lower kinetic energies. This is indicative of a reduced transverse-conductivity across the anion layers, visible as layer-dependent charge depletion for both samples. The surface potential was traced via shifts of core-level signals of an adsorbate. A well-defined potential could be established by a conducting cap layer of 5 nm aluminum which appears "transparent" due to the large probing depth of HAXPES (8-10 nm). At the transition into the charge-ordered phase the fluorine 1 s line of (TMTTF)2SbF6 shifts by 2.8 eV to higher binding energy. This is a spectroscopic fingerprint of the loss of inversion symmetry accompanied by a cooperative shift of the SbF6 anions towards the more positively charged TMTTF donors. This shift does not occur for the X = PF6 compound, most likely due to smaller charge disproportion or due to the presence of charge disorder.

  19. UV photoemission study of heteroepitaxial AlGaN films grown on 6H-SiC

    NASA Astrophysics Data System (ADS)

    Benjamin, M. C.; Bremser, M. D.; Weeks, T. W.; King, S. W.; Davis, R. F.; Nemanich, R. J.

    1996-09-01

    This study presents results of UV photoemission measurements of the surface and interface properties of heteroepitaxial AlGaN on 6H-SiC. Previous results have demonstrated a negative electron affinity of AlN on 6H-SiC. In this study Al xGa 1- xN alloy films were grown by organometallic vapor phase epitaxy (OMVPE) and doped with silicon. The analytical techniques included UPS, Auger electron spectroscopy, and LEED. All analysis took place in an integrated UHV transfer system which included the analysis techniques, a surface processing chamber and a gas source MBE. The OMVPE alloy samples were transported in air to the surface characterization system while the AlN and GaN investigations were prepared in situ. The surface electronic states were characterized by surface normal UV photoemission to determine whether the electron affinity was positive or negative. Two aspects of the photoemission distinguish a surface that exhibits a NEA: (1) the spectrum exhibits a sharp peak in the low kinetic energy region, and (2) the width of the spectrum is hv - Eg. The in situ prepared AlN samples exhibited the characteristics of a NEA while the GaN and Al 0.13Ga 0.87N samples did not. The Al 0.55Ga 0.45N sample shows a low positive electron affinity. Annealing of the sample to > 400°C resulted in the disappearance of the sharp emission features, and this effect was related to contaminant effects on the surface. The results suggest the potential of nitride based cold cathode electron emitters.

  20. Band splitting and Weyl nodes in trigonal tellurium studied by angle-resolved photoemission spectroscopy and density functional theory

    NASA Astrophysics Data System (ADS)

    Nakayama, K.; Kuno, M.; Yamauchi, K.; Souma, S.; Sugawara, K.; Oguchi, T.; Sato, T.; Takahashi, T.

    2017-03-01

    We have performed high-resolution angle-resolved photoemission spectroscopy (ARPES) on trigonal tellurium consisting of helical chains in the crystal. Through the band-structure mapping in the three-dimensional Brillouin zone, we found a definitive evidence for the band splitting originating from the chiral nature of crystal. A direct comparison of the band dispersion between the ARPES results and the first-principles band-structure calculations suggests the presence of Weyl nodes and tiny spin-polarized hole pockets around the H point. The present result opens a pathway toward studying the interplay among crystal symmetry, band structure, and exotic physical properties in chiral crystals.

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

    NASA Astrophysics Data System (ADS)

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

    2012-03-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2012-03-01

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

  3. Photoemission study of tris(8-hydroxyquinoline) aluminum/aluminum oxide/tris(8-hydroxyquinoline) aluminum interface

    SciTech Connect

    Ding Huanjun; Zorba, Serkan; Gao Yongli; Ma Liping; Yang Yang

    2006-12-01

    The evolution of the interface electronic structure of a sandwich structure involving aluminum oxide and tris(8-hydroxyquinoline) aluminum (Alq), i.e. (Alq/AlO{sub x}/Alq), has been investigated with photoemission spectroscopy. Strong chemical reactions have been observed due to aluminum deposition onto the Alq substrate. The subsequent oxygen exposure releases some of the Alq molecules from the interaction with aluminum. Finally, the deposition of the top Alq layer leads to an asymmetry in the electronic energy level alignment with respect to the AlO{sub x} interlayer.

  4. Time resolved resonant photoemission study of energy level alignment at donor/acceptor interfaces

    NASA Astrophysics Data System (ADS)

    Costantini, R.; Pincelli, T.; Cossaro, A.; Verdini, A.; Goldoni, A.; Cichoň, S.; Caputo, M.; Pedio, M.; Panaccione, G.; Silly, M. G.; Sirotti, F.; Morgante, A.; Dell'Angela, M.

    2017-09-01

    The knowledge of the picosecond dynamics of the energy level alignment between donor and acceptor materials in organic photovoltaic devices under working conditions is a challenge for fundamental material research. We measured by means of time-resolved Resonant X-ray Photoemission Spectroscopy (RPES) the energy level alignment in ZnPc/C60 films. We employed 800 nm femtosecond laser pulses to pump the system simulating sunlight excitation and X-rays from the synchrotron as a probe. We measured changes in the valence bands due to pump induced modifications of the interface dipole. Our measurements prove the feasibility of time-resolved RPES with high repetition rate sources.

  5. Zirconia-germanium interface photoemission spectroscopy using synchrotron radiation

    SciTech Connect

    Chui, Chi On

    2005-04-05

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

  6. Investigation of the potassium fluoride post deposition treatment on the CIGSe/CdS interface using hard X-ray photoemission spectroscopy - a comparative study.

    PubMed

    Ümsür, Bünyamin; Calvet, Wolfram; Steigert, Alexander; Lauermann, Iver; Gorgoi, Mihaela; Prietzel, Karsten; Greiner, Dieter; Kaufmann, Christian A; Unold, Thomas; Lux-Steiner, Martha Ch

    2016-05-18

    The impact of the potassium fluoride post deposition treatment on CIGSe chalcopyrite absorbers is investigated by means of depth resolved hard X-ray photoemission spectroscopy of the near surface region. Two similar, slightly Cu-poor CIGSe absorbers were used with one being treated by potassium fluoride prior to the chemical bath deposition of an ultrathin CdS layer. The thickness of the CdS layer was chosen to be in the range of about 10 nm in order to allow the investigation of the CIGSe/CdS interface by the application of hard X-rays, increasing the information depth up to 30 nm. Besides strong intermixing on both samples, an increased Cu depletion of the KF treated absorber was observed in combination with an increased accumulation of Cd and S. In addition, a general shift of about 0.15 eV to higher binding energies of the CIGSe valence band at the absorber surface as well as the CIGSe and CdS related core levels was measured on the KF treated sample. This phenomenon is attributed to the impact of additional cadmium which acts as donor and releases further electrons into the conduction band of the absorber. Finally, the electrons accumulate at the CdS surface after having passed the interface region. This additional surface charge leads to a pronounced shift in the photoemission spectra as observed on the KF treated CIGSe absorber compared to the non-treated absorber.

  7. Study of photoemission mechanism for varied doping GaN photocathode

    NASA Astrophysics Data System (ADS)

    Qiao, Jianliang; Xu, Yuan; Niu, Jun; Gao, Youtang; Chang, Benkang

    2015-10-01

    Negative electron affinity (NEA) GaN photocathode has many virtues, such as high quantum efficiency, low dark current, concentrated electrons energy distribution and angle distribution, adjustive threshold and so on. The quantum efficiency is an important parameter for the preparation and evaluation of NEA GaN photocathode. The varied doping GaN photocathode has the directional inside electric field within the material, so the higher quantum efficiency can be obtained. The varied doping NEA GaN photocathode has better photoemission performance. According to the photoemission theory of NEA GaN photocathode, the quantum efficiency formulas for uniform doping and varied doping NEA GaN photocathodes were given. In the certain condition, the quantum efficiency formula for varied doping GaN photocathode consists with the uniform doping. The activation experiment was finished for varied doping GaN photocathode. The cleaning method and technics for varied doping GaN photocathode were given in detail. To get an atom clean surface, the heat cleaning must be done after the chemical cleaning. Using the activation and evaluation system for NEA photocathode, the varied doping GaN photocathode was activated with Cs and O, and the photocurrent curve for varied doping GaN photocathode was gotten.

  8. Angle-resolved photoemission extended fine structure

    SciTech Connect

    Barton, J.J.

    1985-03-01

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

  9. Direct Measurement of Core-Level Relaxation Dynamics on a Surface-Adsorbate System

    NASA Astrophysics Data System (ADS)

    Miaja-Avila, L.; Saathoff, G.; Mathias, S.; Yin, J.; La-O-Vorakiat, C.; Bauer, M.; Aeschlimann, M.; Murnane, M. M.; Kapteyn, H. C.

    2008-07-01

    The coupling between electronic states in a surface-adsorbate system is fundamental to the understanding of many surface interactions. In this Letter, we present the first direct time-resolved observations of the lifetime of core-excited states of an atom adsorbed onto a surface. By comparing laser-assisted photoemission from a substrate with a delayed Auger decay process from an adsorbate, we measure the lifetime of the 4d-1 core level of xenon on Pt(111) to be 7.1±1.1fs. This result opens up time-domain measurements of surface dynamics where energy-resolved measurements may provide incomplete information.

  10. Angle resolved photoemission studies of the Rashba states in ferroelectric GeTe

    NASA Astrophysics Data System (ADS)

    Kim, Beomyoung; Kyung, Wonshik; Han, Garam; Kim, Yeongkwan; Denlinger, Jonathan; Chung, In; Kim, Changyoung

    2015-03-01

    There has been significant increase in the research of spin orbit coupling (SOC) induced exotic phenomena. The Rashba effect, theoretically predicted to exist, is one of the SOC related phenomena. The phenomenon was later experimentally observed in the surface states of metals and topological insulators as well as interfaces of hetero structures that have inversion symmetry breaking (ISB). Even bulk states with intrinsic ISB such as BiTe is found to have Rashba split bands. It was very recently proposed that ferroelectric GeTe has Rashba effect in the bulk. This is a unique situation where ISB is provided not by the structure ISB but by an electrical polarization. We have performed angle-resolved photoemission spectroscopy (ARPES) on GeTe single crystals to investigate the unique bulk Rashba state. Our results indeed show the existence of a Rashba-type band splitting as theoretically predicted. We discuss various aspect of the Rashba state in GeTe.

  11. Capability of insulator study by photoemission electron microscopy at SPring-8

    PubMed Central

    Ohkochi, Takuo; Kotsugi, Masato; Yamada, Keisuke; Kawano, Kenji; Horiba, Koji; Kitajima, Fumio; Oura, Masaki; Shiraki, Susumu; Hitosugi, Taro; Oshima, Masaharu; Ono, Teruo; Kinoshita, Toyohiko; Muro, Takayuki; Watanabe, Yoshio

    2013-01-01

    The observation method of photoemission electron microscopy (PEEM) on insulating samples has been established in an extremely simple way. Surface conductivity is induced locally on an insulating surface by continuous radiation of soft X-rays, and Au films close to the area of interest allow the accumulated charges on the insulated area to be released to ground level. Magnetic domain observations of a NiZn ferrite, local X-ray absorption spectroscopy of sapphire, high-resolution imaging of a poorly conducting Li0.9CoO2 film surface, and Au pattern evaporation on a fine rock particle are demonstrated. Using this technique, all users’ experiments on poorly conducting samples have been performed successfully at the PEEM experimental station of SPring-8. PMID:23765305

  12. Simulation study of the photoemission effects in an electrostatic plasma sheath containing charged nanoparticles

    NASA Astrophysics Data System (ADS)

    Jalilpour, P.; Foroutan, G.

    2017-06-01

    Numerical simulations of the multi-fluid equations are utilized to investigate the effects of a directed photon flux on the structure of an electrostatic plasma sheath in the presence of nano-sized dust grains. The results revealed that the sheath width decreases with an increase in the photon flux as well as the photoelectric efficiency, and that the effect is prominent at high plasma number densities. With the increase in the incident flux, the absolute dust charge decreases immediately until it changes sign and becomes positive at moderate fluxes and then increases quite slowly. The ion drag is also reduced by the photoemission, while the electric force is enhanced. The net effect is an enhancement of the total force on the dust grains towards the sheath edge, leading to a significantly reduced dust speed and consequently an increased dust number density throughout the sheath.

  13. Band Discontinuities in Gallium Phosphide/Crystalline Silicon Heterojunctions Studied by Internal Photoemission

    NASA Astrophysics Data System (ADS)

    Sakata, Isao; Kawanami, Hitoshi

    2008-09-01

    We measured the band lineup of gallium phosphide (GaP) on crystalline silicon (c-Si) heterojunctions (HJs) by using internal photoemission (IPE), where the heterojunctions were prepared by using solid-source molecular beam epitaxy. It was found that the conduction-band and valence-band discontinuities, denoted by ΔEc and ΔEv, are 0.09+/-0.01 and 1.05+/-0.01 eV, respectively. By performing measurements on samples with different GaP layer thicknesses, we clarified that ΔEv of the present GaP-on-Si HJs is not affected by strain normal to the growth direction. The values of ΔEc and ΔEv obtained for the GaP-on-Si HJs are significantly different from those reported for thin Si-on-GaP HJs, and the implications of this discrepancy are briefly discussed.

  14. Absolute Binding Energies of Core Levels in Solids from First Principles

    NASA Astrophysics Data System (ADS)

    Ozaki, Taisuke; Lee, Chi-Cheng

    2017-01-01

    A general method is presented to calculate absolute binding energies of core levels in metals and insulators, based on a penalty functional and an exact Coulomb cutoff method in the framework of density functional theory. The spurious interaction of core holes between supercells is avoided by the exact Coulomb cutoff method, while the variational penalty functional enables us to treat multiple splittings due to chemical shift, spin-orbit coupling, and exchange interaction on equal footing, both of which are not accessible by previous methods. It is demonstrated that the absolute binding energies of core levels for both metals and insulators are calculated by the proposed method in a mean absolute (relative) error of 0.4 eV (0.16%) for eight cases compared to experimental values measured with x-ray photoemission spectroscopy within a generalized gradient approximation to the exchange-correlation functional.

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

    NASA Astrophysics Data System (ADS)

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

    2007-03-01

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

  16. An Angle Resolved Photoemission Study of a Mott Insulator and Its Evolution to a High Temperature Superconductor

    SciTech Connect

    Ronning, Filip

    2002-03-19

    One of the most remarkable facts about the high temperature superconductors is their close proximity to an antiferromagnetically ordered Mott insulating phase. This fact suggests that to understand superconductivity in the cuprates we must first understand the insulating regime. Due to material properties the technique of angle resolved photoemission is ideally suited to study the electronic structure in the cuprates. Thus, a natural starting place to unlocking the secrets of high Tc would appears to be with a photoemission investigation of insulating cuprates. This dissertation presents the results of precisely such a study. In particular, we have focused on the compound Ca{sub 2-x}Na{sub x}CuO{sub 2}Cl{sub 2}. With increasing Na content this system goes from an antiferromagnetic Mott insulator with a Neel transition of 256K to a superconductor with an optimal transition temperature of 28K. At half filling we have found an asymmetry in the integrated spectral weight, which can be related to the occupation probability, n(k). This has led us to identify a d-wave-like dispersion in the insulator, which in turn implies that the high energy pseudogap as seen by photoemission is a remnant property of the insulator. These results are robust features of the insulator which we found in many different compounds and experimental conditions. By adding Na we were able to study the evolution of the electronic structure across the insulator to metal transition. We found that the chemical potential shifts as holes are doped into the system. This picture is in sharp contrast to the case of La{sub 2-x}Sr{sub x}CuO{sub 4} where the chemical potential remains fixed and states are created inside the gap. Furthermore, the low energy excitations (ie the Fermi surface) in metallic Ca{sub 1.9}Na{sub 0.1}CuO{sub 2}Cl{sub 2} is most well described as a Fermi arc, although the high binding energy features reveal the presence of shadow bands. Thus, the results in this dissertation provide a

  17. Identification of underlayer components in the surface core-level spectra of W(111)

    NASA Astrophysics Data System (ADS)

    Purcell, Kevin G.; Jupille, Jacques; Derby, Glyn P.; King, David A.

    1987-07-01

    Core-level photoemission spectra from a W(111) surface using synchrotron radiation are presented. These core-level spectra are shown to be composed of four components with the same peak shape: one from bulk atoms and three from different crystallographic sites in the selvedge. The selvedge peaks comprise a peak from the topmost surface atoms (shifted by -0.45+/-0.01 eV) and two different underlayer sites (shifted by -0.30+/-0.02 eV and -0.11+/-0.02 eV from the bulk peak). This contrasts with a previous model, proposed by Wertheim, Citrin and Van der Veen, which used only two surface components: a broadened surface atom peak and one underlayer peak. The data presented can be fitted with three peaks, yielding good agreement with the peak energies obtained by these authors; however, we show that the four-peak model gives a better fit to the experimental spectra. The use of two underlayer peaks is in good agreement both with intuitive arguments based on the coordination number of atoms in the selvedge and with two previous theoretical calculations of the surface core-level shift. The values determined from the fitting parameters for the core-level line shape are also in good agreement with values calculated by other workers.

  18. Identification of underlayer components in the surface core-level spectra of W(111)

    SciTech Connect

    Purcell, K.G.; Jupille, J.; Derby, G.P.; King, D.A.

    1987-07-15

    Core-level photoemission spectra from a W(111) surface using synchrotron radiation are presented. These core-level spectra are shown to be composed of four components with the same peak shape: one from bulk atoms and three from different crystallographic sites in the selvedge. The selvedge peaks comprise a peak from the topmost surface atoms (shifted by -0.45 +- 0.01 eV) and two different underlayer sites (shifted by -0.30 +- 0.02 eV and -0.11 +- 0.02 eV from the bulk peak). This contrasts with a previous model, proposed by Wertheim, Citrin and Van der Veen, which used only two surface components: a broadened surface atom peak and one underlayer peak. The data presented can be fitted with three peaks, yielding good agreement with the peak energies obtained by these authors; however, we show that the four-peak model gives a better fit to the experimental spectra. The use of two underlayer peaks is in good agreement both with intuitive arguments based on the coordination number of atoms in the selvedge and with two previous theoretical calculations of the surface core-level shift. The values determined from the fitting parameters for the core-level line shape are also in good agreement with values calculated by other workers.

  19. A Mechanistic Study of CO2 Reduction at the Interface of a Gallium Phosphide (GaP) Surface using Core-level Spectroscopy - Oral Presentation

    SciTech Connect

    Flynn, Kristen

    2015-08-19

    Carbon dioxide (CO2) emission into the atmosphere has increased tremendously through burning of fossil fuels, forestry, etc.. The increased concentration has made CO2 reductions very attractive though the reaction is considered uphill. Utilizing the sun as a potential energy source, CO2 has the possibility to undergo six electron and four proton transfers to produce methanol, a useable resource. This reaction has been shown to occur selectively in an aqueous pyridinium solution with a gallium phosphide (GaP) electrode. Though this reaction has a high faradaic efficiency, it was unclear as to what role the GaP surface played during the reaction. In this work, we aim to address the fundamental role of GaP during the catalytic conversion, by investigating the interaction between a clean GaP surface with the reactants, products, and intermediates of this reaction using X-ray photoelectron spectroscopy. We have determined a procedure to prepare atomically clean GaP and our initial CO2 adsorption studies have shown that there is evidence of chemisorption and reaction to form carbonate on the clean surface at LN2 temperatures (80K), in contrast to previous theoretical calculations. These findings will enable future studies on CO2 catalysis.

  20. A Mechanistic Study of CO2 Reduction at the Interface of a Gallium Phosphide (GaP) Surface using Core-level Spectroscopy

    SciTech Connect

    Flynn, Kristen

    2015-08-18

    Carbon dioxide (CO2) emission into the atmosphere has increased tremendously through burning of fossil fuels, forestry, etc.. The increased concentration has made CO2 reductions very attractive though the reaction is considered uphill. Utilizing the sun as a potential energy source, CO2 has the possibility to undergo six electron and four proton transfers to produce methanol, a useable resource. This reaction has been shown to occur selectively in an aqueous pyridinium solution with a gallium phosphide (GaP) electrode. Though this reaction has a high faradaic efficiency, it was unclear as to what role the GaP surface played during the reaction. In this work, we aim to address the fundamental role of GaP during the catalytic conversion, by investigating the interaction between a clean GaP surface with the reactants, products, and intermediates of this reaction using X-ray photoelectron spectroscopy. We have determined a procedure to prepare atomically clean GaP and our initial CO2 adsorption studies have shown that there is evidence of chemisorption and reaction to form carbonate on the clean surface at LN2 temperatures (80K), in contrast to previous theoretical calculations. These findings will enable future studies on CO2 catalysis.

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

    NASA Technical Reports Server (NTRS)

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

    2001-01-01

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

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

    NASA Technical Reports Server (NTRS)

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

    2001-01-01

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

  3. Electronic structure of Fe-Pd alloys studied by using photoemission spectroscopy

    NASA Astrophysics Data System (ADS)

    Nahm, T.-U.

    2017-07-01

    We investigated the electronic structure of Fe x Pd1- x ( x = 0.25, 0.5, and 0.75) alloys by measuring valence-band and core-level photoelectron spectra. The Fe 3 d and Pd 4 d partial spectral weights were determined by using the Cooper minimum phenomenon of the Pd 4 d photoionization cross section. We found that the experimentally determined Fe partial spectral weight of Fe50Pd50 alloy differ much from the band calculation results, and we could not observe a spectral structure due to the Pd 4 d states mixed with the Fe 3 d majority states at the binding energy of 0.9 eV. We suggest that a plausible explanation for these discrepancies should be the spin-dependent lifetime of the Fe 3 d states.

  4. Study of spatial homogeneity and nitridation of an Al nanopattern template with spectroscopic photoemission and low energy electron microscopy

    NASA Astrophysics Data System (ADS)

    Qi, B.; Ólafsson, S.; Zakharov, A. A.; Göthelid, M.; Agnarsson, B.; Gislason, H. P.

    2013-01-01

    We report a study on the spatial homogeneity and nitridation of a nanopattern template using a spectroscopic photoemission and low energy electron microscopy. The template was composed of Al nanodots which were patterned into a SiO2/Si(1 1 1) surface using e-beam lithography and reactive ion etching. The template exhibited a global inhomogeneity in terms of the local topography, Al composition and structure of the individual nanopatterns. After nitridation, the individual nanopatterns were diminished, more corrugated and faceted. The nitridated nanopatterns were structurally ordered but differently orientated. The nitridation effectively removed the fluorine contaminants by decomposition of the fluorocarbon sidewalls, resulting in the AlN nanopatterns and partially nitridated Si substrate surface outside the nanopattern domains.

  5. Charge-density wave transition of 1T-VSe2 studied by angle-resolved photoemission spectroscopy

    NASA Astrophysics Data System (ADS)

    Terashima, K.; Sato, T.; Komatsu, H.; Takahashi, T.; Maeda, N.; Hayashi, K.

    2003-10-01

    High-resolution angle-resolved photoemission spectroscopy (ARPES) has been performed on a layered transition-metal dichalcogenide (TMDC) 1T-VSe2 to study the (4×4) charge-density wave (CDW) mechanism. We observed a partial Fermi-surface (FS) nesting on the electronlike FS centered at the M (L) point. The spectral weight near EF is considerably suppressed below the transition temperature (Tc=110 K) around the nested portion, while a negligible spectral change is observed even across Tc in other portions of FS. This suggests that the CDW transition in 1T-VSe2 is caused by the three-dimensional FS nesting. Implications are discussed in relation to the physical properties of 1T-VSe2 as well as the ARPES results of other TMDC’s.

  6. Bulk and surface electronic structure of hexagonal structured PtBi2 studied by angle-resolved photoemission spectroscopy

    NASA Astrophysics Data System (ADS)

    Yao, Q.; Du, Y. P.; Yang, X. J.; Zheng, Y.; Xu, D. F.; Niu, X. H.; Shen, X. P.; Yang, H. F.; Dudin, P.; Kim, T. K.; Hoesch, M.; Vobornik, I.; Xu, Z.-A.; Wan, X. G.; Feng, D. L.; Shen, D. W.

    2016-12-01

    PtBi2 with a layered hexagonal crystal structure was recently reported to exhibit an unconventional large linear magnetoresistance, while the mechanism involved is still elusive. Using high-resolution angle-resolved photoemission spectroscopy, we present a systematic study on its bulk and surface electronic structure. Through careful comparison with first-principle calculations, our experiment distinguishes the low-lying bulk bands from entangled surface states, allowing the estimation of the real composition of samples. We find significant electron doping in PtBi2, implying a substantial Bi-deficiency-induced disorder therein. Intriguingly, we discover a Dirac-cone-like surface state on the boundary of the Brillouin zone, which is identified as an accidental Dirac band without topological protection. Our findings exclude linear band dispersion in the quantum limit as the cause of the unconventional large linear magnetoresistance but give support to the classical disorder model from the perspective of the electronic structure.

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

    NASA Astrophysics Data System (ADS)

    Mishchenko, A. S.; Nagaosa, N.

    2006-03-01

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

  8. Spin-resolved photoemission study of epitaxially grown MoSe 2 and WSe 2 thin films

    DOE PAGES

    Mo, Sung-Kwan; Hwang, Choongyu; Zhang, Yi; ...

    2016-09-12

    Few-layer thick MoSe2 and WSe2 possess non-trivial spin textures with sizable spin splitting due to the inversion symmetry breaking embedded in the crystal structure and strong spin–orbit coupling. Here, we report a spin-resolved photoemission study of MoSe2 and WSe2 thin film samples epitaxially grown on a bilayer graphene substrate. Furthermore, we only found spin polarization in the single- and trilayer samples—not in the bilayer sample—mostly along the out-of-plane direction of the sample surface. The measured spin polarization is found to be strongly dependent on the light polarization as well as the measurement geometry, which reveals intricate coupling between the spinmore » and orbital degrees of freedom in this class of material.« less

  9. Plasmon-Induced Optical Field Enhancement studied by Correlated Scanning and Photoemission Electron Microscopy

    SciTech Connect

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

    2013-04-21

    We use multi-photon photoemission electron microscopy (PEEM) to image the enhanced electric fields of silver nanoparticles supported on a silver thin film substrate. Electromagnetic field enhancement is measured by comparing the photoelectron yield of the nanoparticles with respect to the photoelectron yield of the surrounding silver thin film. We investigate the dependence of the photoelectron yield of the nanoparticle as a function of size and shape. Multi-photon PEEM results are presented for three average nanoparticle diameters: 122 ± 6, 75 ± 6, and 34 ± 2 nm. The enhancement in photoelectron yield of single nanoparticles illuminated with femtosecond laser pulses (400 nm, ~3.1 eV) is found to be a factor of 102 to 103 times greater than that produced by the flat silver thin film. High-resolution, multi-photon PEEM images of single silver nanoparticles reveal that the greatest enhancement in photoelectron yield is localized at distinct regions on the surface of the nanoparticle whose magnitude and spatial extent is dependent on the incident electric field polarization. In conjunction with correlated scanning electron microscopy (SEM), nanoparticles that deviate from nominally spherical shapes are found to exhibit irregular spatial distributions in the multi-photon PEEM images that are correlated with the unique shape and topology of the nanoparticle.

  10. Angle-resolved photoemission study of the Kitaev candidate α -RuCl3

    NASA Astrophysics Data System (ADS)

    Zhou, Xiaoqing; Li, Haoxiang; Waugh, J. A.; Parham, S.; Kim, Heung-Sik; Sears, J. A.; Gomes, A.; Kee, Hae-Young; Kim, Young-June; Dessau, D. S.

    2016-10-01

    α -RuCl3 has been hinted to be a spin-orbital-assisted Mott insulator in proximity to a Kitaev spin liquid state. Here we present angle-resolved photoemission measurements on single-crystal α -RuCl3 in both the pristine and electron-doped states, and combine them with Local Density Approximation (LDA)+Spin Orbital Coupling (SOC)+U calculations performed for several low-energy competing magnetically ordered states as well as the paramagnetic state. A large Mott gap is found in the measured band structure of the pristine compound that persists to more than 30 times beyond the magnetic ordering temperature, though the paramagnetic calculation shows almost no gap. Upon electron doping, spectral weight is transferred into the gap but the new states still maintain a sizable gap from the Fermi edge. These findings are most consistent with a Mott insulator with a somewhat exotic evolution out of the Mott state with both temperature and doping, likely related to unusually strong spin fluctuations.

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

    NASA Astrophysics Data System (ADS)

    Young, Benjamin; Warner, James; Heskett, David

    2016-02-01

    Inverse photoemission spectroscopy (IPES) performed on clean Ni(110) reveals an unoccupied electronic surface state with energy 2.5 eV above the Fermi level for emission near the Ȳ point of the Surface Brillouin Zone. Ion bombardment of the sample creates defects that reduce the intensity of the peak in IPES spectra. Sharp, intense diffraction spots in low-energy electron diffraction (LEED) patterns taken of the clean surface become dimmer after bombardment. Results of these measurements are compared to Monte Carlo simulations of the sputtering process to ascertain the approximate size of clean patches on the sample necessary to sustain the IPES and LEED features. At 170 K, the IPES surface state peak appears closely associated with the population of surface atomic sites contained in clean circular patches of about 50 atoms. The LEED patterns persist to greater degrees of sputtering and are associated with smaller clean patches. Both measurements performed at 300 K indicate significant self-annealing of the sputtering damage.

  12. X-ray photoemission analysis of clean and carbon monoxide-chemisorbed platinum(111) stepped surfaces using a curved crystal

    PubMed Central

    Walter, Andrew L.; Schiller, Frederik; Corso, Martina; Merte, Lindsay R.; Bertram, Florian; Lobo-Checa, Jorge; Shipilin, Mikhail; Gustafson, Johan; Lundgren, Edvin; Brión-Ríos, Anto´n X.; Cabrera-Sanfelix, Pepa; Sánchez-Portal, Daniel; Ortega, J. Enrique

    2015-01-01

    Surface chemistry and catalysis studies could significantly gain from the systematic variation of surface active sites, tested under the very same conditions. Curved crystals are excellent platforms to perform such systematics, which may in turn allow to better resolve fundamental properties and reveal new phenomena. This is demonstrated here for the carbon monoxide/platinum system. We curve a platinum crystal around the high-symmetry (111) direction and carry out photoemission scans on top. This renders the spatial core-level imaging of carbon monoxide adsorbed on a ‘tunable' vicinal surface, allowing a straightforward visualization of the rich chemisorption phenomenology at steps and terraces. Through such photoemission images we probe a characteristic elastic strain variation at stepped surfaces, and unveil subtle stress-release effects on clean and covered vicinal surfaces. These results offer the prospect of applying the curved surface approach to rationally investigate the chemical activity of surfaces under real pressure conditions. PMID:26561388

  13. X-ray photoemission analysis of clean and carbon monoxide-chemisorbed platinum(111) stepped surfaces using a curved crystal

    SciTech Connect

    Walter, Andrew L.; Schiller, Frederik; Merte, Lindsay R.; Bertram, Florian; Lobo-Checa, Jorge; Gustafson, Johan; Lundgren, Edvin; Brión-Ríos, Anto´n X.; Cabrera-Sanfelix, Pepa; Sánchez-Portal, Daniel

    2015-11-12

    Surface chemistry and catalysis studies could significantly gain from the systematic variation of surface active sites, tested under the very same conditions. Curved crystals are excellent platforms to perform such systematics, which may in turn allow to better resolve fundamental properties and reveal new phenomena. This is demonstrated here for the carbon monoxide/platinum system. We curve a platinum crystal around the high-symmetry (111) direction and carry out photoemission scans on top. This renders the spatial core-level imaging of carbon monoxide adsorbed on a 'tunable' vicinal surface, allowing a straightforward visualization of the rich chemisorption phenomenology at steps and terraces. Through such photoemission images we probe a characteristic elastic strain variation at stepped surfaces, and unveil subtle stress-release effects on clean and covered vicinal surfaces. Lastly, these results offer the prospect of applying the curved surface approach to rationally investigate the chemical activity of surfaces under real pressure conditions.

  14. X-ray photoemission analysis of clean and carbon monoxide-chemisorbed platinum(111) stepped surfaces using a curved crystal

    DOE PAGES

    Walter, Andrew L.; Schiller, Frederik; Corso, Martina; ...

    2015-11-12

    Surface chemistry and catalysis studies could significantly gain from the systematic variation of surface active sites, tested under the very same conditions. Curved crystals are excellent platforms to perform such systematics, which may in turn allow to better resolve fundamental properties and reveal new phenomena. This is demonstrated here for the carbon monoxide/platinum system. We curve a platinum crystal around the high-symmetry (111) direction and carry out photoemission scans on top. This renders the spatial core-level imaging of carbon monoxide adsorbed on a 'tunable' vicinal surface, allowing a straightforward visualization of the rich chemisorption phenomenology at steps and terraces. Throughmore » such photoemission images we probe a characteristic elastic strain variation at stepped surfaces, and unveil subtle stress-release effects on clean and covered vicinal surfaces. Lastly, these results offer the prospect of applying the curved surface approach to rationally investigate the chemical activity of surfaces under real pressure conditions.« less

  15. Reply to J. Hlavka's Comment on Role of Photocurrent in Low Temperature Photoemission Studies of Schottky-Barrier Formation

    NASA Technical Reports Server (NTRS)

    Hecht, M.

    1997-01-01

    Dr. Hlavka addresses three aspects of the treatment of temperature dependent photovoltage effects in photoemission spectroscopy of Schottky barrier formation which were first published in references 1 and 2.

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

    DOE PAGES

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

    2015-03-01

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

  17. Uranium passivation by C + implantation: A photoemission and secondary ion mass spectrometry study

    NASA Astrophysics Data System (ADS)

    Nelson, A. J.; Felter, T. E.; Wu, K. J.; Evans, C.; Ferreira, J. L.; Siekhaus, W. J.; McLean, W.

    2006-03-01

    Implantation of 33 keV C + ions into polycrystalline U 238 with a dose of 4.3 × 10 17 cm -2 produces a physically and chemically modified surface layer that prevents further air oxidation and corrosion. X-ray photoelectron spectroscopy and secondary ion mass spectrometry were used to investigate the surface chemistry and electronic structure of this C + ion implanted polycrystalline uranium and a non-implanted region of the sample, both regions exposed to air for more than a year. In addition, scanning electron microscopy was used to examine and compare the surface morphology of the two regions. The U 4f, O 1s and C 1s core-level and valence band spectra clearly indicate carbide formation in the modified surface layer. The time-of-flight secondary ion mass spectrometry depth profiling results reveal an oxy-carbide surface layer over an approximately 200 nm thick UC layer with little or no residual oxidation at the carbide layer/U metal transitional interface.

  18. Uranium passivation by C+ implantation: a photoemission and secondary ion mass spectrometry study

    SciTech Connect

    Nelson, A J; Felter, T E; Wu, K J; Evans, C; Ferreira, J; Siekhaus, W; McLean, W

    2005-01-20

    Implantation of 33 keV C{sup +} ions into polycrystalline U{sup 238} with a dose of 4.3 x 10{sup 17} cm{sup -2} produces a physically and chemically modified surface layer that prevents further air oxidation and corrosion. X-ray photoelectron spectroscopy and secondary ion mass spectrometry were used to investigate the surface chemistry and electronic structure of this C{sup +} ion implanted polycrystalline uranium and a non-implanted region of the sample, both regions exposed to air for more than a year. In addition, scanning electron microscopy was used to examine and compare the surface morphology of the two regions. The U 4f, O 1s and C 1s core-level and valence band spectra clearly indicate carbide formation in the modified surface layer. The time-of-flight secondary ion mass spectrometry depth profiling results reveal an oxy-carbide surface layer over an approximately 200 nm thick UC layer with little or no residual oxidation at the carbide layer/U metal transitional interface.

  19. Angle- and spin-resolved photoemission from ferromagnets

    NASA Astrophysics Data System (ADS)

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

    1996-07-01

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

  20. Photoemission and LEED study of the Sn/Rh(111) surface--early oxidation steps and thermal stability.

    PubMed

    Hanyš, Petr; Píš, Igor; Mašek, Karel; Sutara, František; Matolín, Vladimír; Nehasil, Václav

    2012-01-11

    We have deposited two monolayers of Sn onto Rh(111) single crystal. After the deposition, no ordered structure was revealed by low energy electron diffraction (LEED). We oxidized the obtained system in a low-pressure oxygen atmosphere at 420 K. The oxidized sample was then gradually heated to study the thermal stability of the oxide layer. We characterized the system by synchrotron radiation stimulated photoelectron spectroscopy and LEED. Valence band and core level photoelectron spectra of rhodium, tin and oxygen were used to study the oxidation of the Sn-Rh(111) surface and its behaviour upon annealing. A low stoichiometric oxide of Sn was created on the surface. The oxidation process did not continue towards creation of SnO(2) with higher oxygen dose. The annealing at 970 K caused decomposition of the surface oxide of Sn and creation of an ordered (√3 × √3)R30° Sn-Rh(111) surface alloy.

  1. Core level shifts of intercalated graphene

    NASA Astrophysics Data System (ADS)

    Schröder, Ulrike A.; Petrović, Marin; Gerber, Timm; Martínez-Galera, Antonio J.; Grånäs, Elin; Arman, Mohammad A.; Herbig, Charlotte; Schnadt, Joachim; Kralj, Marko; Knudsen, Jan; Michely, Thomas

    2017-03-01

    Through intercalation of metals and gases the Dirac cone of graphene on Ir(111) can be shifted with respect to the Fermi level without becoming destroyed by strong hybridization. Here, we use x-ray photoelectron spectroscopy to measure the C 1s core level shift (CLS) of graphene in contact with a number of structurally well-defined intercalation layers (O, H, Eu, and Cs). By analysis of our own and additional literature data for decoupled graphene, the C 1s CLS is found to be a non-monotonic function of the doping level. For small doping levels the shifts are well described by a rigid band model. However, at larger doping levels, a second effect comes into play which is proportional to the transferred charge and counteracts the rigid band shift. Moreover, not only the position, but also the C 1s peak shape displays a unique evolution as a function of doping level. Our conclusions are supported by intercalation experiments with Li, with which, due to the absence of phase separation, the doping level of graphene can be continuously tuned.

  2. Photoemission studies of a new topological insulator class: Experimental discovery of the bismuth-X3 topological insulator class

    NASA Astrophysics Data System (ADS)

    Xia, Yuqi

    Topological insulators are materials with a bulk band gap, which carry conducting surface states that are protected against disorder. In three dimensions, the insulators carry 2D Dirac fermions on their surfaces. The opening of a magnetic surface gap can exhibit a topological magnetoelectric effect, and support Majorana fermions which can be manipulated for quantum computation. Previous spin and angle-resolved photoemission studies have shown that Bi 1-xSbx alloy belongs to this class of materials, with a characteristic number nu 0 = 1. Some materials challenges with Bi1-x Sbx alloy however are the significant degree of bulk disorder and a small band gap. Both problems make gating difficult for the manipulation and control of the charge carriers. While ordinary materials such as superconductors and liquid crystals can be described by an order parameter, topological insulators are not associated with a local order parameter resulting from a spontaneous broken symmetry. Rather, they manifest a topological order which requires a direct probe of how their energy bands are connected. Measurement techniques designed to detect a particular order parameter are therefore insufficient to identify the topological character of a material. Alternatively, one can look for properties analogous to the quantum Hall effect as a signature of a topologically ordered system. However, using transport probes to isolate the surface states of the topological insulator requires a pristine bulk with minimal charge carrier density. While advances have been made recently in this direction, a good candidate for such measurements has been elusive. In this thesis, we describe a systematic study of a new topological insulator class with a large band gap and a single surface state Fermi surface. Using synchrochon-based angle-resolved photoemission spectroscopy (ARPES), we measured the topological character of these materials by observing the dispersion of their metallic electronic states confined

  3. Photoemission and Electrical Studies of the Titanium/gallium -ARSENIDE(110) and PLATINUM/GALLIUM-ARSENIDE(110) Interfaces.

    NASA Astrophysics Data System (ADS)

    McCants, Carl Emery

    Multilayer metallization using Ti-based contacts such as Ti-Pt-Au is used for Schottky gate contacts in the fabrication of GaAs metal-semiconductor field-effect transistors (MESFET's) and high electron mobility transistors (HEMT's). Ti was initially used as a wetting metal; however, the chemical interactions with the GaAs substrate and their effect on the electrical properties were not well understood. A systematic investigation of the interfacial and electrical properties of Ti and Pt deposited in ultrahigh vacuum on cleaved GaAs(110) surfaces was undertaken to address these issues. Soft x-ray, x-ray and ultraviolet photoemission spectroscopies of the Ti/GaAs(110) interface formed at room temperature (RT), at low temperature (LT) and after annealing to 475^circC, and the Pt/GaAs(110) interface at RT will be presented. Emphasis will be placed on the Ti studies, with differences between the Ti and Pt reaction products examined. Current-voltage measurements were made at RT for both interfaces and for the Ti/GaAs(110) after annealing to 450^ circC. Computer controlled curve fitting techniques, used to decompose the photoemission data, allowed for the determination of the extent of chemical reactions, gave an indication of the nature of the reaction products, and separated band bending shifts. The annealing studies on the Ti/GaAs(110) show that the Schottky barrier height increases by 0.1 eV at 200^circC on n-GaAs(110) and also suggest that the Ti-As compound formed at RT is stable at high temperatures. At LT, the Ti/GaAs(110) interface shows only small differences in band bending and almost none in chemical reactions than is observed at room temperature. This is in contrast to a common behavior for less reactive metals and does not support models of Schottky barrier formation that depend solely on changes in the metallicity of the overlayer due to substrate temperature. These results agree with the Advanced Unified Defect model which suggests that As antisites along

  4. Band alignment in organic devices: Photoemission studies of model oligomers on In{sub 2}O{sub 3}

    SciTech Connect

    Blyth, R. I. R.; Duschek, R.; Koller, G.; Netzer, F. P.; Ramsey, M. G.

    2001-07-01

    The interfaces of In{sub 2}O{sub 3}, a model for indium{endash}tin{endash}oxide (ITO), with benzene, thiophene, and benzaldehyde, models for technologically important organic molecules, are studied using angle resolved ultraviolet photoemission and work function measurements. Band alignment diagrams for hypothetical Al/organic/ITO devices have been drawn, using values determined from this work and previously published studies of these molecules on Al(111). The similarity between the bonding of benzene and thiophene on Al(111) and In{sub 2}O{sub 3}, i.e., largely electrostatic, leads to near identical alignment at both metal and oxide interfaces. This indicates that clean Al and ITO will make a very poor electron/hole injecting pair. We suggest that the apparent efficiency of Al as an electron injecting contact in real devices is due to the presence of oxygen at the Al/organic interface. For benzaldehyde the interaction with In{sub 2}O{sub 3} is largely electrostatic, in contrast to the covalent bonds formed on Al(111). This leads to very different alignment at the Al and oxide interfaces, showing the importance of the particular organic{endash}inorganic interaction in determining band alignment. {copyright} 2001 American Institute of Physics.

  5. The development of photoemission spectroscopy and its application to the study of semiconductor interfaces Observations on the interplay between basic and applied research (Welch Memorial Lecture)

    NASA Technical Reports Server (NTRS)

    Spicer, W. E.

    1985-01-01

    A sketch is given of the development of photoemission electron spectroscopy (PES) with emphasis on the author's own experience. Emphasis is placed: (1) on the period between 1958-1970; (2) on the various developments which were required for PES to emerge; and (3) on the strong interactions between applied/fundamental and knowledge/empirically based research. A more detailed discussion is given of the recent (1975-present) application of PES to study the interfaces of III-V semiconductors.

  6. The development of photoemission spectroscopy and its application to the study of semiconductor interfaces Observations on the interplay between basic and applied research (Welch Memorial Lecture)

    NASA Technical Reports Server (NTRS)

    Spicer, W. E.

    1985-01-01

    A sketch is given of the development of photoemission electron spectroscopy (PES) with emphasis on the author's own experience. Emphasis is placed: (1) on the period between 1958-1970; (2) on the various developments which were required for PES to emerge; and (3) on the strong interactions between applied/fundamental and knowledge/empirically based research. A more detailed discussion is given of the recent (1975-present) application of PES to study the interfaces of III-V semiconductors.

  7. Electronic structure of the Sr/Si(001) Zintl template from density functional theory and photoemission

    NASA Astrophysics Data System (ADS)

    Seo, Hosung; Choi, Miri; Hatch, Richard; Posadas, Agham; Demkov, Alexander

    2013-03-01

    Since the first demonstration of epitaxial growth of crystalline SrTiO3 on Si(001) by Mckee and co-workers, sub-monolayer Sr on Si(001) has been extensively investigated. Charge transfer induced by half-monolayer of Sr has been shown to be a key element enabling wetting of Si by SrTiO3. However, a detailed understanding of the electronic structure reconstruction is not complete. Such knowledge could be extended and applied to the other epitaxial crystalline oxides on semiconductors. Recently, using in-situ x-ray core-level spectroscopy, we have studied the change in electronic structure of Si(001) induced by sub-monolayer Sr deposition in terms of surface core level shift. One of the interesting features is shift of the Si 2p level toward the higher binding energy by 0.49eV after Sr deposition. In this talk, we present a detailed theoretical investigation of the surface core level shifts in sub-monolayer Sr/Si(001). Using the final state theory, we calculate the bulk 2p binding energy to be increased by 0.42eV when half-monolayer of Sr is deposited in excellent agreement with experiment. We are able to compare the calculated evolution of the surface band structure in sub-monolayer Sr/Si(001) to angle-resolved photoemission spectroscopy (ARPES) data.

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

    NASA Technical Reports Server (NTRS)

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

    1981-01-01

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

  9. Interlayer-state-driven superconductivity in CaC6 studied by angle-resolved photoemission spectroscopy

    NASA Astrophysics Data System (ADS)

    Kyung, Wonshik; Kim, Yeongkwan; Han, Garam; Leem, Choonshik; Kim, Chul; Koh, Yoonyoung; Kim, Beomyoung; Kim, Youngwook; Kim, Jun Sung; Kim, Keun Su; Rotenberg, Eli; Denlinger, Jonathan D.; Kim, Changyoung

    2015-12-01

    We performed angle-resolved photoemission experiments on CaC6 and measured kz-dependent electronic structures to investigate the interlayer states. The results reveal a spherical interlayer Fermi surface centered at the Γ point. We also find that the graphene-driven band possesses a weak kz dispersion. The overall electronic structure shows a peculiar single-graphene-layer periodicity in the kz direction although the CaC6 unit cell is supposed to contain three graphene layers. This suggests that the c -axis ordering of Ca has little effect on the electronic structure of CaC6. In addition to CaC6, we also studied the a low-temperature superconductor BaC6. For BaC6, the graphene-band Dirac-point energy is smaller than that of CaC6. Based on data from CaC6 and BaC6, we rule out the Cx y phonon mode as the origin of the superconductivity in CaC6, which strongly suggests interlayer-state-driven superconductivity.

  10. Electronic structure of metal hydrides. VI. Photoemission studies and band theory of VH, NbH, and TaH

    SciTech Connect

    Peterman, D.J.; Misemer, D.K.; Weaver, J.H.; Peterson, D.T.

    1983-01-15

    The electronic structures of VH/sub x/, NbH/sub x/, and TaH/sub x/ (0.6< or =x< or =1.0) have been studied with the use of photoemission spectroscopy with synchrotron radiation (10< or =h..nu..< or =100 eV). Two hydrogen-derived features are observed at approx.5.5- and 7.5-eV binding energies, and the metal d bands are shown to be modified by the hydrogen interaction. These results show no agreement with rigid-band models based on the density of states of the pure metals and relatively poor agreement with previous band-structure calculations for monohydrides. We have calculated the energy bands of ..gamma..-phase NbH (self-consistently) and of NbH/sub 0/ and NbH/sub 2/ (non-self-consistently). Together, the calculations and experiments show how the metal-hydrogen interaction alters the electronic properties of the bcc metals.

  11. Anisotropic electronic band structure of intrinsic Si(110) studied by angle-resolved photoemission spectroscopy and first-principles calculations

    NASA Astrophysics Data System (ADS)

    Matsushita, Stephane Yu; Takayama, Akari; Kawamoto, Erina; Hu, Chunping; Hagiwara, Satoshi; Watanabe, Kazuyuki; Takahashi, Takashi; Suto, Shozo

    2017-09-01

    We have studied the electronic band structure of the hydrogen-terminated Si(110)-(1 ×1 ) [H:Si(110)-(1 ×1 )] surface using angle-resolved photoemission spectroscopy (ARPES) and first-principles calculations in the framework of density functional theory with local density approximation (LDA). The bulk-truncated H:Si(110)-(1 ×1 ) surface is a good template to investigate the electronic band structure of the intrinsic Si(110). In the ARPES spectra, seven bulk states and one surface state due to the H-H interaction are observed clearly. The four bulk states consisting of Si 3 px y orbitals exhibit anisotropic band dispersions along the high symmetric direction of Γ ¯-X ¯ and Γ ¯-X¯' directions, where one state shows one-dimensional character. The calculated band structures show a good agreement with the experimental results except the surface state. We discuss the exact nature of electronic band structures and the applicability of LDA. We have estimated the anisotropic effective masses of electrons and holes of Si(110) for device application.

  12. Core level binding energies of functionalized and defective graphene

    PubMed Central

    Kaukonen, Markus; Havu, Paula; Ljungberg, Mathias P; Ayala, Paola; Kauppinen, Esko I

    2014-01-01

    Summary X-ray photoelectron spectroscopy (XPS) is a widely used tool for studying the chemical composition of materials and it is a standard technique in surface science and technology. XPS is particularly useful for characterizing nanostructures such as carbon nanomaterials due to their reduced dimensionality. In order to assign the measured binding energies to specific bonding environments, reference energy values need to be known. Experimental measurements of the core level signals of the elements present in novel materials such as graphene have often been compared to values measured for molecules, or calculated for finite clusters. Here we have calculated core level binding energies for variously functionalized or defected graphene by delta Kohn–Sham total energy differences in the real-space grid-based projector-augmented wave density functional theory code (GPAW). To accurately model extended systems, we applied periodic boundary conditions in large unit cells to avoid computational artifacts. In select cases, we compared the results to all-electron calculations using an ab initio molecular simulations (FHI-aims) code. We calculated the carbon and oxygen 1s core level binding energies for oxygen and hydrogen functionalities such as graphane-like hydrogenation, and epoxide, hydroxide and carboxylic functional groups. In all cases, we considered binding energy contributions arising from carbon atoms up to the third nearest neighbor from the functional group, and plotted C 1s line shapes by using experimentally realistic broadenings. Furthermore, we simulated the simplest atomic defects, namely single and double vacancies and the Stone–Thrower–Wales defect. Finally, we studied modifications of a reactive single vacancy with O and H functionalities, and compared the calculated values to data found in the literature. PMID:24605278

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

    NASA Astrophysics Data System (ADS)

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

    2013-09-01

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

  14. A revolutionary rotatable electron energy analyzer for advanced high-resolution spin-polarized photoemission studies. Final Report

    SciTech Connect

    Waddill, G. D.; Willis, R. F.

    1999-10-01

    This report details the construction and testing of a unique analyzer for spin-polarized photoemission studies of magnetic materials. This report details the progress of this project for the period from 9/1/96 through 8/31/99. Progress can be divided into two distinct areas. These are the fabrication, construction, and initial testing of the instrumentation, and the concurrent program of preliminary investigations into materials and experiments appropriate for future studies using the instrumentation developed. The analyzer complete with special input electron optics and Mott detector has been assembled in a special design UHV chamber equipped with all the capabilities needed to perform the described programs of research. These include a sophisticated five motorized axis sample manipulator with low and high temperature capability and rapid temperature cycling (acquired in collaboration with Dr. J.G. Tobin of LLNL), vacuum leak detection and gauging, in situ thin film growth instrumentation, and sample cleaning and magnetizing capabilities, The initial testing of the analyzer has been completed with successful data acquisition using both the multichannel detector mode, and spin-dependent using the Mott detector channeltrons. The data collected using the Mott detector were not truly spin dependent (see below), but demonstrate the operation of the lens and detector design. Acquisition of truly spin-dependent data await use of the EPU. Preliminary indications suggest that the analyzer performs at or above the original design parameters. In the second area of progress, we have conducted a number of preliminary studies toward the ends of identifying appropriate initial systems for investigation, and to further explore new experiments that the new instrumentation will help to pioneer. More detailed descriptions of all of these advances are given.

  15. Multiatom Resonant Photoemission: Theory and Systematics

    SciTech Connect

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

    1999-05-01

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

  16. Angle-resolved photoemission spectroscopy studies of the Mott insulator to superconductor evolution in calcium-sodium-copper-chloride

    NASA Astrophysics Data System (ADS)

    Shen, Kyle Michael

    The parent compounds of the high-temperature cuprate superconductors are antiferromagnetic Mott insulators. To explain the microscopic mechanism behind high-temperature superconductivity, it is first necessary to understand how the electronic states evolve from the parent Mott insulator into the superconducting compounds. This dissertation presents angle-resolved photoemission spectroscopy (ARPES) studies of one particular family of the cuprate superconductors, Ca 2-xNaxCuO 2Cl2, to investigate how the single-electron excitations develop throughout momentum space as the system is hole doped from the Mott insulator into a superconductor with a transition temperature of 22 K. These measurements indicate that, due to very strong electron-boson interactions, the quasiparticle residue, Z, approaches zero in the parent Mott insulator due to the formation of small lattice polarons. As a result, many fundamental quantities such as the chemical potential, quasiparticle excitations, and the Fermi surface evolve in manners wholly unexpected from conventional weakly-interacting theories. In addition, highly anisotropic interactions have been observed in momentum space where quasiparticle-like excitations persist to low doping levels along the nodal direction of the d-wave super-conducting gap, in contrast to the unusual excitations near the d-wave antinode. This anisotropy may reflect the propensity of the lightly doped cuprates towards forming a competing, charge-ordered state. These results provide a novel and logically consistent explanation of the hole doping evolution of the lineshape, spectral weight, chemical potential, quasiparticle dispersion, and Fermi surface as Ca2- xNaxCuO2Cl2 evolves from the parent Mott insulator into a high-temperature superconductor.

  17. Electronic structure of RSb ( R=Y, Ce, Gd, Dy, Ho, Tm, Lu) studied by angle-resolved photoemission spectroscopy

    DOE PAGES

    Wu, Yun; Lee, Yongbin; Kong, Tai; ...

    2017-07-15

    Here, we use high-resolution angle-resolved photoemission spectroscopy (ARPES) and electronic structure calculations to study the electronic properties of rare-earth monoantimonides RSb (R = Y, Ce, Gd, Dy, Ho, Tm, Lu). The experimentally measured Fermi surface (FS) of RSb consists of at least two concentric hole pockets at the Γ point and two intersecting electron pockets at the X point. These data agree relatively well with the electronic structure calculations. Detailed photon energy dependence measurements using both synchrotron and laser ARPES systems indicate that there is at least one Fermi surface sheet with strong three-dimensionality centered at the Γ point. Duemore » to the “lanthanide contraction”, the unit cell of different rare-earth monoantimonides shrinks when changing the rare-earth ion from CeSb to LuSb. This results in the differences in the chemical potentials in these compounds, which are demonstrated by both ARPES measurements and electronic structure calculations. Interestingly, in CeSb, the intersecting electron pockets at the X point seem to be touching the valence bands, forming a fourfold-degenerate Dirac-like feature. On the other hand, the remaining rare-earth monoantimonides show significant gaps between the upper and lower bands at the X point. Furthermore, similar to the previously reported results of LaBi, a Dirac-like structure was observed at the Γ point in YSb, CeSb, and GdSb, compounds showing relatively high magnetoresistance. This Dirac-like structure may contribute to the unusually large magnetoresistance in these compounds.« less

  18. Electronic structure of R Sb (R =Y , Ce, Gd, Dy, Ho, Tm, Lu) studied by angle-resolved photoemission spectroscopy

    NASA Astrophysics Data System (ADS)

    Wu, Yun; Lee, Yongbin; Kong, Tai; Mou, Daixiang; Jiang, Rui; Huang, Lunan; Bud'ko, S. L.; Canfield, P. C.; Kaminski, Adam

    2017-07-01

    We use high-resolution angle-resolved photoemission spectroscopy (ARPES) and electronic structure calculations to study the electronic properties of rare-earth monoantimonides RSb (R = Y, Ce, Gd, Dy, Ho, Tm, Lu). The experimentally measured Fermi surface (FS) of RSb consists of at least two concentric hole pockets at the Γ point and two intersecting electron pockets at the X point. These data agree relatively well with the electronic structure calculations. Detailed photon energy dependence measurements using both synchrotron and laser ARPES systems indicate that there is at least one Fermi surface sheet with strong three-dimensionality centered at the Γ point. Due to the "lanthanide contraction", the unit cell of different rare-earth monoantimonides shrinks when changing the rare-earth ion from CeSb to LuSb. This results in the differences in the chemical potentials in these compounds, which are demonstrated by both ARPES measurements and electronic structure calculations. Interestingly, in CeSb, the intersecting electron pockets at the X point seem to be touching the valence bands, forming a fourfold-degenerate Dirac-like feature. On the other hand, the remaining rare-earth monoantimonides show significant gaps between the upper and lower bands at the X point. Furthermore, similar to the previously reported results of LaBi, a Dirac-like structure was observed at the Γ point in YSb, CeSb, and GdSb, compounds showing relatively high magnetoresistance. This Dirac-like structure may contribute to the unusually large magnetoresistance in these compounds.

  19. Ultrafast scattering processes of hot electrons in InSb studied by time- and angle-resolved photoemission spectroscopy

    NASA Astrophysics Data System (ADS)

    Tanimura, H.; Kanasaki, J.; Tanimura, K.

    2015-01-01

    Ultrafast scattering processes of hot electrons photoinjected into the conduction band of InSb have been studied using time- and angle-resolved photoemission spectroscopy. The nascent distributions of hot-electron packets are captured directly in energy and momentum spaces, and their ultrafast scattering processes are traced at femtosecond temporal resolution on a state-resolved basis. Hot electrons injected in the Γ valley with excess energies above the minimum of the L valley show ultrafast intervalley scattering, with transition times of the order of 40 fs. The relaxation processes in the L valley are resolved in energy and momentum spaces, including their backscattering into the Γ valley during relaxation. In contrast, relaxation of hot electrons with excess energy below the minimum of the L valley is governed by the direct impact ionization (IMP). We reveal state-selective features of the IMP process, and we have determined the direct IMP rate to be 7 ×1012s-1 for hot electrons with excess energy in the range of 0.35 to 0.6 eV. The direct IMP process results in a rapid increase, within 300 fs after excitation, of the electron density at the conduction band minimum (CBM), and phonon-assisted IMP by hot electrons scattered in the L valley and those backscattered into the Γ valley persistently enhances the electron density up to 8 ps after excitation. By analyzing correlations between the IMP rates of hot electrons and the electron densities near the CBM, an important role of a transient Auger recombination is proposed to quantify the yield of low-energy electrons generated in the IMP process.

  20. Comment on ‘Electronic structure of Mo(1-x)Re x alloys studied through resonant photoemission spectroscopy’

    NASA Astrophysics Data System (ADS)

    Evans, Prescott; Dowben, P. A.

    2017-03-01

    Further analysis of the resonant photoemission data, found within Sundar et al (2016 J. Phys.: Condens. Matter 28 315502), show the intensities do not follow the elemental composition in the Mo1-x Re x alloy. Similar trends are observed in the published data for Gd1-x Ni x alloy films. The analysis of the resonant photoemission intensities suggests that Mo in the Mo1-x Re x alloy and Gd in the Gd1-x Ni x alloy have nearest neighbor bonds to Re and Ni respectively. This means the A-B bond is favored over the average of the A-A bond and the B-B bond in these binary alloys, so that the short range order favors strong local ordering rather than clustering alloys.

  1. Comment on 'Electronic structure of Mo(1-x)Re x alloys studied through resonant photoemission spectroscopy'.

    PubMed

    Evans, Prescott; Dowben, P A

    2017-03-08

    Further analysis of the resonant photoemission data, found within Sundar et al (2016 J. Phys.: Condens. Matter 28 315502), show the intensities do not follow the elemental composition in the Mo1-x Re x alloy. Similar trends are observed in the published data for Gd1-x Ni x alloy films. The analysis of the resonant photoemission intensities suggests that Mo in the Mo1-x Re x alloy and Gd in the Gd1-x Ni x alloy have nearest neighbor bonds to Re and Ni respectively. This means the A-B bond is favored over the average of the A-A bond and the B-B bond in these binary alloys, so that the short range order favors strong local ordering rather than clustering alloys.

  2. Magnetic x-ray linear dichroism in resonant and non-resonant Gd 4f photoemission

    SciTech Connect

    Mishra, S.; Gammon, W.J.; Pappas, D.P.

    1997-04-01

    The enhancement of the magnetic linear dichroism in resonant 4f photoemission (MLDRPE) is studied from a 50 monolayer film of Gd/Y(0001). The ALS at beamline 7.0.1 provided the source of linearly polarized x-rays used in this study. The polarized light was incident at an angle of 30 degrees relative to the film plane, and the sample magnetization was perpendicular to the photon polarization. The linear dichroism of the 4f core levels is measured as the photon energy is tuned through the 4d-4f resonance. The authors find that the MLDRPE asymmetry is strongest at the resonance. Near the threshold the asymmetry has several features which are out of phase with the fine structure of the total yield.

  3. Hard x-ray photoemission and density functional theory study of the internal electric field in SrTiO3/LaAlO3 oxide heterostructures

    NASA Astrophysics Data System (ADS)

    Slooten, E.; Zhong, Zhicheng; Molegraaf, H. J. A.; Eerkes, P. D.; de Jong, S.; Massee, F.; van Heumen, E.; Kruize, M. K.; Wenderich, S.; Kleibeuker, J. E.; Gorgoi, M.; Hilgenkamp, H.; Brinkman, A.; Huijben, M.; Rijnders, G.; Blank, D. H. A.; Koster, G.; Kelly, P. J.; Golden, M. S.

    2013-02-01

    A combined experimental and theoretical investigation of the electronic structure of the archetypal oxide heterointerface system LaAlO3 on SrTiO3 is presented. High-resolution, hard x-ray photoemission is used to uncover the occupation of Ti 3d states and the relative energetic alignment—and hence internal electric fields—within the LaAlO3 layer. First, the Ti 2p core-level spectra clearly show occupation of Ti 3d states already for two unit cells of LaAlO3. Second, the LaAlO3 core levels were seen to shift to lower binding energy as the LaAlO3 overlayer thickness, n, was increased, agreeing with the expectations from the canonical electron transfer model for the emergence of conductivity at the interface. However, not only is the energy offset of only ˜300 meV between n=2 (insulating interface) and n=6 (metallic interface) an order of magnitude smaller than the simple expectation, but it is also clearly not the sum of a series of unit-cell-by-unit-cell shifts within the LaAlO3 block. Both of these facts argue against the simple charge-transfer picture involving a cumulative shift of the LaAlO3 valence bands above the SrTiO3 conduction bands, resulting in charge transfer only for n≥4. We discuss effects which could frustrate this elegant and simple charge-transfer model, concluding that although it cannot be ruled out, photodoping by the x-ray beam is unlikely to be the cause of the observed behavior. Turning to the theoretical data, our density functional simulations show that the presence of oxygen vacancies at the LaAlO3 surface at the 25% level reverses the direction of the internal field in the LaAlO3. Therefore, taking the experimental and theoretical results together, a consistent picture emerges for real-life samples in which nature does not wait until n=4 and already for n=2 mechanisms other than internal-electric-field-driven electron transfer from idealized LaAlO3 to near-interfacial states in the SrTiO3 substrate are active in heading off the

  4. Time-resolved photoemission study of the electronic structure and dynamics of chemisorbed alkali atoms on Ru(0001)

    NASA Astrophysics Data System (ADS)

    Zhang, Shengmin; Wang, Cong; Cui, Xuefeng; Wang, Yanan; Argondizzo, Adam; Zhao, Jin; Petek, Hrvoje

    2016-01-01

    We investigate the electronic structure and photoexcitation dynamics of alkali atoms (Rb and Cs) chemisorbed on transition-metal Ru(0001) single-crystal surface by angle- and time-resolved multiphoton photoemission. Three- and four-photon photoemission (3PP and 4PP) spectroscopic features due to the σ and π resonances arising from the n s and n p states of free alkali atoms are observed from ˜2 eV below the vacuum level in the zero-coverage limit. As the alkali coverage is increased to a maximum of 0.02 monolayers, the resonances are stabilized by formation of a surface dipole layer, but in contrast to alkali chemisorption on noble metals, both resonances form dispersive bands with nearly free-electron mass. Density functional theory calculations attribute the band formation to substrate-mediated interaction involving hybridization with the unoccupied d bands of the substrate. Time-resolved measurements quantify the phase and population relaxation times in the three-photon photoemission (3PP) process via the σ and π resonances. Differences between alkali-atom chemisorption on noble and transition metals are discussed.

  5. Quanty for core level spectroscopy - excitons, resonances and band excitations in time and frequency domain

    NASA Astrophysics Data System (ADS)

    Haverkort, Maurits W.

    2016-05-01

    Depending on the material and edge under consideration, core level spectra manifest themselves as local excitons with multiplets, edge singularities, resonances, or the local projected density of states. Both extremes, i.e., local excitons and non-interacting delocalized excitations are theoretically well under control. Describing the intermediate regime, where local many body interactions and band-formation are equally important is a challenge. Here we discuss how Quanty, a versatile quantum many body script language, can be used to calculate a variety of different core level spectroscopy types on solids and molecules, both in the frequency as well as the time domain. The flexible nature of Quanty allows one to choose different approximations for different edges and materials. For example, using a newly developed method merging ideas from density renormalization group and quantum chemistry [1-3], Quanty can calculate excitons, resonances and band-excitations in x-ray absorption, photoemission, x-ray emission, fluorescence yield, non-resonant inelastic x-ray scattering, resonant inelastic x-ray scattering and many more spectroscopy types. Quanty can be obtained from: http://www.quanty.org.

  6. Studies of Dirac and Weyl fermions by angle resolved photoemission spectroscopy

    NASA Astrophysics Data System (ADS)

    Huang, Lunan

    This dissertation consists of three parts. First, we study magnetic domains in Nd2Fe14 B single crystals using high resolution magnetic force microscopy (MFM). In addition to the elongated, wavy nano-domains reported by a previous MFM study, we found that the micrometer size, star-shaped fractal pattern is constructed of an elongated network of nano-domains about 20 nm in width, with resolution-limited domain walls thinner than 2 nm. Second, we studied extra Dirac cones of multilayer graphene on SiC surface by ARPES and SPA-LEED. We discovered extra Dirac cones on Fermi surface due to SiC 6 x 6 and graphene 6√3 x 6√3 coincidence lattice on both single-layer and three-layer graphene sheets. We interpreted the position and intensity of the Dirac cone replicas, based on the scattering vectors from LEED patterns. We found the positions of replica Dirac cones are determined mostly by the 6 x 6 SiC superlattice even graphene layers grown thicker. Finally, we studied the electronic structure of MoTe2 by ARPES and experimentally confirmed the prediction of type II Weyl state in this material. By combining the result of Density Functional Theory calculations and Berry curvature calculations with out experimental data, we identified Fermi arcs, track states and Weyl points, all features predicted to exist in a type II Weyl semimetal. This material is an excellent playground for studies of exotic Fermions.

  7. Studies of Dirac and Weyl fermions by angle resolved photoemission spectroscopy

    SciTech Connect

    Huang, Lunan

    2016-01-01

    This dissertation consists of three parts. First, we study magnetic domains in Nd2Fe14B single crystals using high resolution magnetic force microscopy (MFM). In addition to the elongated, wavy nano-domains reported by a previous MFM study, we found that the micrometer size, star-shaped fractal pattern is constructed of an elongated network of nano-domains about 20 nm in width, with resolution-limited domain walls thinner than 2 nm. Second, we studied extra Dirac cones of multilayer graphene on SiC surface by ARPES and SPA-LEED. We discovered extra Dirac cones on Fermi surface due to SiC 6 x 6 and graphene 6√ 3 6√ 3 coincidence lattice on both single-layer and three-layer graphene sheets. We interpreted the position and intensity of the Dirac cone replicas, based on the scattering vectors from LEED patterns. We found the positions of replica Dirac cones are determined mostly by the 6 6 SiC superlattice even graphene layers grown thicker. Finally, we studied the electronic structure of MoTe2 by ARPES and experimentally con rmed the prediction of type II Weyl state in this material. By combining the result of Density Functional Theory calculations and Berry curvature calculations with out experimental data, we identi ed Fermi arcs, track states and Weyl points, all features predicted to exist in a type II Weyl semimetal. This material is an excellent playground for studies of exotic Fermions.

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

    SciTech Connect

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

    2015-04-27

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

  9. Photoemission study of praseodymia in its highest oxidation state: The necessity of in situ plasma treatment

    SciTech Connect

    Schaefer, A.; Zielasek, V.; Baeumer, M.; Gevers, S.; Wollschlaeger, J.; Schroeder, T.; Falta, J.

    2011-02-07

    A cold radio frequency oxygen plasma treatment is demonstrated as a successful route to prepare clean, well-ordered, and stoichiometric PrO{sub 2} layers on silicon. High structural quality of these layers is shown by x-ray diffraction. So far unobserved spectral characteristics in Pr 3d x-ray photoelectron (XP) spectra of PrO{sub 2} are presented as a fingerprint for praseodymia in its highest oxidized state. They provide insight in the electronic ground state and the special role of praseodymia among the rare earth oxides. They also reveal that former XP studies suffered from a significant reduction at the surface.

  10. X-ray photoemission studies of superficially oxidized cesium antimonide photoemitters

    NASA Technical Reports Server (NTRS)

    Bates, C. W., Jr.; Wertheim, G. K.; Buchanan, D. N. E.; Clements, K. E.; Van Atekum, T. M.

    1981-01-01

    Superficially oxidized cesium antimonide photoemitting surfaces prepared in ultrahigh vacuum were studied by X-ray photoelectron spectroscopy. Oxidation of Cs3Sb to produce a surface with enhanced photosensitivity converts part of the antimony to elemental antimony and part of the cesium to cesium suboxide. The latter is identified on the basis of an O1 s peak at 531.3 eV, characteristic of Cs11O3. The production of Cs2O is not ruled out in this process since its signature at 527.5 eV is masked by an antimony shake-up peak at 527 eV.

  11. X-ray photoemission studies of superficially oxidized cesium antimonide photoemitters

    NASA Technical Reports Server (NTRS)

    Bates, C. W., Jr.; Wertheim, G. K.; Buchanan, D. N. E.; Clements, K. E.; Van Atekum, T. M.

    1981-01-01

    Superficially oxidized cesium antimonide photoemitting surfaces prepared in ultrahigh vacuum were studied by X-ray photoelectron spectroscopy. Oxidation of Cs3Sb to produce a surface with enhanced photosensitivity converts part of the antimony to elemental antimony and part of the cesium to cesium suboxide. The latter is identified on the basis of an O1 s peak at 531.3 eV, characteristic of Cs11O3. The production of Cs2O is not ruled out in this process since its signature at 527.5 eV is masked by an antimony shake-up peak at 527 eV.

  12. Photoemission studies of organic phosphors doped in electron and hole transport hosts

    NASA Astrophysics Data System (ADS)

    Maekinen, Antti J.; Hill, Ian G.; Kafafi, Zakya H.

    2002-02-01

    Using a combination of ultraviolet and x-ray photoelectron spectroscopies (UPS, XPS), we have studied the relative energy level alignment of two phosphorescent guest molecules, 2,3,7,8,12,13,17,18-octaethyl-21H,23H-porphine platinum (PtOEP) and tris(2-phenylpyridine)iridium (Ir(ppy)3), doped in an electron transport host, tris(8-hydroxyquinolinato) aluminum (III) (Alq3), and in a hole transport host, 4,4'-bis(carbazol-9-yl)biphenyl (CBP). In each of the guest-host systems, we find that the vacuum levels of the guest and the host molecules align, and that the position of the highest occupied molecular orbital (HOMO) of the phosphorescent guest is independent of the guest molecule concentration (0.8 - 56% by mass) in the composite films. These results are used to shed light on possible electroluminescence mechanism(s) in the emissive layer of an organic light-emitting device utilizing the studied guest-host structures.

  13. First in-flight synchrotron X-ray absorption and photoemission study of carbon soot nanoparticles

    NASA Astrophysics Data System (ADS)

    Ouf, F.-X.; Parent, P.; Laffon, C.; Marhaba, I.; Ferry, D.; Marcillaud, B.; Antonsson, E.; Benkoula, S.; Liu, X.-J.; Nicolas, C.; Robert, E.; Patanen, M.; Barreda, F.-A.; Sublemontier, O.; Coppalle, A.; Yon, J.; Miserque, F.; Mostefaoui, T.; Regier, T. Z.; Mitchell, J.-B. A.; Miron, C.

    2016-11-01

    Many studies have been conducted on the environmental impacts of combustion generated aerosols. Due to their complex composition and morphology, their chemical reactivity is not well understood and new developments of analysis methods are needed. We report the first demonstration of in-flight X-ray based characterizations of freshly emitted soot particles, which is of paramount importance for understanding the role of one of the main anthropogenic particulate contributors to global climate change. Soot particles, produced by a burner for several air-to-fuel ratios, were injected through an aerodynamic lens, focusing them to a region where they interacted with synchrotron radiation. X-ray photoelectron spectroscopy and carbon K-edge near-edge X-ray absorption spectroscopy were performed and compared to those obtained for supported samples. A good agreement is found between these samples, although slight oxidation is observed for supported samples. Our experiments demonstrate that NEXAFS characterization of supported samples provides relevant information on soot composition, with limited effects of contamination or ageing under ambient storage conditions. The highly surface sensitive XPS experiments of airborne soot indicate that the oxidation is different at the surface as compared to the bulk probed by NEXAFS. We also report changes in soot’s work function obtained at different combustion conditions.

  14. First in-flight synchrotron X-ray absorption and photoemission study of carbon soot nanoparticles.

    PubMed

    Ouf, F-X; Parent, P; Laffon, C; Marhaba, I; Ferry, D; Marcillaud, B; Antonsson, E; Benkoula, S; Liu, X-J; Nicolas, C; Robert, E; Patanen, M; Barreda, F-A; Sublemontier, O; Coppalle, A; Yon, J; Miserque, F; Mostefaoui, T; Regier, T Z; Mitchell, J-B A; Miron, C

    2016-11-24

    Many studies have been conducted on the environmental impacts of combustion generated aerosols. Due to their complex composition and morphology, their chemical reactivity is not well understood and new developments of analysis methods are needed. We report the first demonstration of in-flight X-ray based characterizations of freshly emitted soot particles, which is of paramount importance for understanding the role of one of the main anthropogenic particulate contributors to global climate change. Soot particles, produced by a burner for several air-to-fuel ratios, were injected through an aerodynamic lens, focusing them to a region where they interacted with synchrotron radiation. X-ray photoelectron spectroscopy and carbon K-edge near-edge X-ray absorption spectroscopy were performed and compared to those obtained for supported samples. A good agreement is found between these samples, although slight oxidation is observed for supported samples. Our experiments demonstrate that NEXAFS characterization of supported samples provides relevant information on soot composition, with limited effects of contamination or ageing under ambient storage conditions. The highly surface sensitive XPS experiments of airborne soot indicate that the oxidation is different at the surface as compared to the bulk probed by NEXAFS. We also report changes in soot's work function obtained at different combustion conditions.

  15. Photoemission studies on the 3D Dirac semiemtal state in Na3Bi

    NASA Astrophysics Data System (ADS)

    Xu, Suyang; Chang, Liu; Kushwaha, Satya K.; Sankar, Raman; Krizan, Jason W.; Belopolski, Ilya; Neupane, Madhab; Bian, Guang; Alidoust, Nasser; Chang, Tay-Rong; Jeng, Horng-Tay; Huang, Cheng-Yi; Tsai, Wei-Feng; Lin, Hsin; Shibayev, Pavel P.; Chou, Fangcheng; Cava, Robert J.; Hasan, M. Zahid

    2015-03-01

    A three-dimensional Dirac semimetal is a novel state of matter that has recently attracted interest in condensed matter physics and materials science. We present electronic structure measurements on the (100) surface of a recently discovered Dirac semimetal material Na3Bi. Our experimental data, for the first time, reveal a Lifshitz transition between the two bulk Dirac cones in the bulk band structure of Na3Bi. These results identify the first example of a band structure singularity in 3D Dirac materials. This is in contrast to its 2D analogs such as in twisted bilayer graphene or the surface states of topological crystalline insulators, which have been studied extensively. The observation of multiple bulk Dirac nodes along the rotational crystal axis away from the Kramers point also serve as a signature for the symmetry-protected nature of the Dirac semimetal state in Na3Bi as elaborated in recent theories. The work at Princeton and Princeton-led synchrotron-based ARPES measurements is supported by U.S. DOE DE-FG-02-05ER46200.

  16. Photoemission Spectroscopy Studies of Methylammonium Lead Iodide Perovskite Thin Films and Interfaces

    NASA Astrophysics Data System (ADS)

    Thibau, Emmanuel S.

    Organometal halide perovskites have recently emerged as promising materials for fundamentally low-cost, high-performance optoelectronics. In this thesis, we utilize thermal co-evaporation of PbI2 and CH3NH 3 I to fabricate thin films of CH3NH3PbI 3. We first investigate the effect of stoichiometry on some of its structural, optical and electronic properties. Then, we study the energy level alignment of CH3NH3PbI3 with 6 organic semiconductors, revealing good agreement between the data and the theory of vacuum level alignment. Finally, the interface formed between CH3NH 3PbI3 and MoO3 is examined. The findings suggest migration of iodide species into the oxide layer, resulting in deterioration of its chemical and electronic properties. Insertion of an organic interlayer is shown to mitigate these undesirable effects. The results of this work could be of use in device engineering, where knowledge of such interfacial phenomena is of utmost importance in achieving optimized device structures.

  17. First in-flight synchrotron X-ray absorption and photoemission study of carbon soot nanoparticles

    PubMed Central

    Ouf, F.-X.; Parent, P.; Laffon, C.; Marhaba, I.; Ferry, D.; Marcillaud, B.; Antonsson, E.; Benkoula, S.; Liu, X.-J.; Nicolas, C.; Robert, E.; Patanen, M.; Barreda, F.-A.; Sublemontier, O.; Coppalle, A.; Yon, J.; Miserque, F.; Mostefaoui, T.; Regier, T. Z.; Mitchell, J.-B. A.; Miron, C.

    2016-01-01

    Many studies have been conducted on the environmental impacts of combustion generated aerosols. Due to their complex composition and morphology, their chemical reactivity is not well understood and new developments of analysis methods are needed. We report the first demonstration of in-flight X-ray based characterizations of freshly emitted soot particles, which is of paramount importance for understanding the role of one of the main anthropogenic particulate contributors to global climate change. Soot particles, produced by a burner for several air-to-fuel ratios, were injected through an aerodynamic lens, focusing them to a region where they interacted with synchrotron radiation. X-ray photoelectron spectroscopy and carbon K-edge near-edge X-ray absorption spectroscopy were performed and compared to those obtained for supported samples. A good agreement is found between these samples, although slight oxidation is observed for supported samples. Our experiments demonstrate that NEXAFS characterization of supported samples provides relevant information on soot composition, with limited effects of contamination or ageing under ambient storage conditions. The highly surface sensitive XPS experiments of airborne soot indicate that the oxidation is different at the surface as compared to the bulk probed by NEXAFS. We also report changes in soot’s work function obtained at different combustion conditions. PMID:27883014

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

    NASA Astrophysics Data System (ADS)

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

    2017-06-01

    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%.

  19. Bulk photoemission from metal films and nanoparticles

    SciTech Connect

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

    2015-01-31

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

  20. Synchronization and Characterization of an Ultra-Short Laser for Photoemission and Electron-Beam Diagnostics Studies at a Radio Frequency Photoinjector

    SciTech Connect

    Maxwell, Timothy; Ruan, Jinhao; Piot, Philippe; Lumpkin, Alex

    2012-03-01

    A commercially-available titanium-sapphire laser system has recently been installed at the Fermilab A0 photoinjector laboratory in support of photoemission and electron beam diagnostics studies. The laser system is synchronized to both the 1.3-GHz master oscillator and a 1-Hz signal use to trigger the radiofrequency system and instrumentation acquisition. The synchronization scheme and performance are detailed. Long-term temporal and intensity drifts are identified and actively suppressed to within 1 ps and 1.5%, respectively. Measurement and optimization of the laser's temporal profile are accomplished using frequency-resolved optical gating.

  1. Direct surface magnetometry with photoemission magnetic x-ray dichroism

    SciTech Connect

    Tobin, J.G.; Goodman, K.W.; Schumann, F.O.

    1997-04-01

    Element specific surface magnetometry remains a central goal of synchrotron radiation based studies of nanomagnetic structures. One appealing possibility is the combination of x-ray absorption dichroism measurements and the theoretical framework provided by the {open_quotes}sum rules.{close_quotes} Unfortunately, sum rule analysis are hampered by several limitations including delocalization of the final state, multi-electronic phenomena and the presence of surface dipoles. An alternative experiment, Magnetic X-Ray Dichroism in Photoelectron Spectroscopy, holds out promise based upon its elemental specificity, surface sensitivity and high resolution. Computational simulations by Tamura et al. demonstrated the relationship between exchange and spin orbit splittings and experimental data of linear and circular dichroisms. Now the authors have developed an analytical framework which allows for the direct extraction of core level exchange splittings from circular and linear dichroic photoemission data. By extending a model initially proposed by Venus, it is possible to show a linear relation between normalized dichroism peaks in the experimental data and the underlying exchange splitting. Since it is reasonable to expect that exchange splittings and magnetic moments track together, this measurement thus becomes a powerful new tool for direct surface magnetometry, without recourse to time consuming and difficult spectral simulations. The theoretical derivation will be supported by high resolution linear and circular dichroism data collected at the Spectromicroscopy Facility of the Advanced Light Source.

  2. A Dust Grain Photoemission Experiment

    NASA Technical Reports Server (NTRS)

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

    2000-01-01

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

  3. A Dust Grain Photoemission Experiment

    NASA Technical Reports Server (NTRS)

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

    2000-01-01

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

  4. Electron-electron correlation in graphite: a combined angle-resolved photoemission and first-principles study.

    PubMed

    Grüneis, A; Attaccalite, C; Pichler, T; Zabolotnyy, V; Shiozawa, H; Molodtsov, S L; Inosov, D; Koitzsch, A; Knupfer, M; Schiessling, J; Follath, R; Weber, R; Rudolf, P; Wirtz, L; Rubio, A

    2008-01-25

    The full three-dimensional dispersion of the pi bands, Fermi velocities, and effective masses are measured with angle-resolved photoemission spectroscopy and compared to first-principles calculations. The band structure by density-functional theory underestimates the slope of the bands and the trigonal warping effect. Including electron-electron correlation on the level of the GW approximation, however, yields remarkable improvement in the vicinity of the Fermi level. This demonstrates the breakdown of the independent electron picture in semimetallic graphite and points toward a pronounced role of electron correlation for the interpretation of transport experiments and double-resonant Raman scattering for a wide range of carbon based materials.

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

    NASA Astrophysics Data System (ADS)

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

    2005-08-01

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

  6. Toward a comprehensive understanding of solid-state core-level XPS linewidths: Experimental and theoretical studies on the Si2p and O1s linewidths in silicates

    NASA Astrophysics Data System (ADS)

    Bancroft, G. M.; Nesbitt, H. W.; Ho, R.; Shaw, D. M.; Tse, J. S.; Biesinger, M. C.

    2009-08-01

    High resolution X-ray Photoelectron Spectroscopy (XPS) core-level Si2p and O1s spectra of the nonconductors α-SiO2 (quartz) at 120 and 300 K and vitreous SiO2 at 300 K were obtained with a Kratos Axis Ultra XPS instrument (instrumental resolution of <0.4eV ) which incorporates a unique charge compensation system that minimizes differential charge broadening on nonconductors. The Si2p and O1s linewidths at 300 K ( ˜1.1 and ˜1.2eV , respectively) are similar for all silicates (and similar to previous thin film SiO2 spectra obtained previously), showing that differential charging does not contribute significantly to our spectra. At 120 K, there is a small decrease (0.04 eV) in the Si2p linewidth of α-SiO2 , but no measurable decrease in O1s linewidth. The O1s lines are generally and distinctly asymmetric. We consider all possible sources of line broadening and show that final state vibrational broadening (FSVB) and phonon broadening are the major causes of the broad and asymmetric lines. Previous high resolution gas phase XPS studies have identified large FSVB contributions to the Si2p spectra of SiCl4 , SiF4 , and Si(OCH3)4 molecules, and this vibrational structure leads total Si2p3/2 linewidths of up to ˜0.5eV , even with individual peak linewidths of <0.1eV . The Si atom of Si(OCH3)4 is an excellent analog for Si in crystalline SiO2 because the Si-O bond lengths and symmetric stretch frequencies are similar in both compounds. Similar vibrational contributions to the Si2p and O1s spectra of solid silicates are anticipated if the Si2p and O1s core-hole states produce similar changes to the Si-O bond length in both phases. To investigate the possibility, Car-Parrinello molecular dynamics calculations were performed and show that changes to Si-O bond lengths between ion and ground states (Δr) for both Si2p and O1s hole states are similar for both crystalline SiO2 and gaseous Si(OCH3)4 . Δr are -0.04Å for Si2p and ˜+0.05Å for O1s in both compounds. Indeed, the

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

    SciTech Connect

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

    2016-05-06

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

  8. Studies of magnetism and exchange scattering in solids using synchrotron radiation and spin polarized photoemission. Final technical report, June 1, 1981-May 31, 1984

    SciTech Connect

    Rothberg, G.M.

    1984-01-01

    Progress has been made toward developing Spin Polarized EXAFS (SPEXAFS) as a technique for studying magnetism in solids. The first observations have been made of EXAFS by means of photoemission with sufficient data to permit a traditional Fourier-transform analysis of atomic structure. Some of the advantages of photoelectron detection of EXAFS are: (1) vuv light may be used thereby extending greatly the useable range of photon energies; (2) the number of elements that may be studied for surface EXAFS is increased; (3) the possibility exists for measurements that cannot be done in other ways. In addition to its intrinsic interest, this result is crucial to the study of the spin dependence of EXAFS. These measurements were carried out on the vuv storage ring at the National Synchrotron Light Source. Data obtained on the spin dependence of EXAFS in MnF/sub 2/ at room temperature tentatively show dependence of the Mn absorber atom phase shift on the exchange interaction within the absorber atom. This effect has not been discussed theoretically. Preliminary observations have been made of the Fano resonance in Mn 3d photoemission at the 3p to 3d threshold.

  9. Thickness-dependent change in the valence band offset of the SiO{sub 2}/Si interface studied using synchrotron-radiation photoemission spectroscopy

    SciTech Connect

    Toyoda, S. Oshima, M.

    2016-08-28

    We have studied the thickness-dependent change in the valence band offset (VBO) of the SiO{sub 2}/Si(001) interface using synchrotron-radiation photoemission spectroscopy with soft and hard X-rays. The SiO{sub 2}-film thickness (T{sub ox}) and X-ray irradiation time (t{sub irrad}) were systematically parameterized to distinguish between the “intrinsic” T{sub ox} effects in the VBOs and the “extrinsic” differential charging phenomena in SiO{sub 2} films on Si substrates. The results revealed that at a spontaneous time (t{sub irrad} ≈ 5 s) that suppresses the differential charging phenomena as much as possible, the experimental VBO abruptly increases as a function of T{sub ox} and gradually saturates to the traditional VBO value range determined by the internal photoemission and photoconduction measurements. This effect is not attributed to the differential charging phenomena, but rather it is attributed to the “intrinsic” T{sub ox}-dependent change in the VBO. The two possible physical behaviors include electronic polarization and image charge. We have derived the electronic polarization contribution from experimental data by carefully describing the effects of the long-range image charges based on the classical dielectric-screening model.

  10. Development of a high-resolution soft x-ray (30--1500 eV) beamline at the Advanced Light Source and its use for the study of angle-resolved photoemission extended fine structure

    SciTech Connect

    Huff, Welcome Rex Anthony

    1996-02-01

    ALS Bending magnet beamline 9.3.2 is for high resolution spectroscopy, with circularly polarized light. Fixed included-angle SGM uses three gratings for 30--1500 eV photons; circular polarization is produced by an aperture for selecting the beam above or below the horizontal plane. Photocurrent from upper and lower jaws of entrance slit sets a piezoelectric drive feedback loop on the vertically deflecting mirror for stable beam. End station has a movable platform. With photomeission data from Stanford, structure of c(2x2)P/Fe(100) was determined using angle-resolved photoemission extended fine structure (ARPEFS). Multiple-scattering spherical-wave (MSSW) calculations indicate that P atoms adsorb in fourfold hollow sites 1.02A above the first Fe layer. Self-consistent-field Xα scattered wave calculation confirm that the Fe1-Fe2 space is contracted for S/Fe but not for P/Fe; comparison is made to atomic N and O on Fe(100). Final-state effects on ARPEFS curves used literature data from the S 1s and 2p core levels of c(2x2)S/Ni(001); a generalized Ramsauer-Townsend splitting is present in the 1s but not 2p data. An approximate method for analyzing ARPEFS data from a non-s initial state using only the higher-ℓ partial wave was tested successfully. ARPEFS data from clean surfaces were collected normal to Ni(111) (3p core levels) and 5° off-normal from Cu(111)(3s, 3p). Fourier transforms (FT) resemble adsorbate systems, showing backscattering signals from atoms up to 4 layers below emitters. 3p FTs show scattering from 6 nearest neighbors in the same crystal layer as the emitters. MSSW calulation indicate that Cu 3p photoemission is mostly d-wave. FTs also indicate double-scattering and single-scattering from laterally distant atoms; calculations indicate that the signal is dominated by photoemission from the first 2 crystal layers.

  11. Photoemission, vibrational and stimulated desorption studies of metal-semiconductor interfaces and of chemisorbed atoms and molecules

    NASA Astrophysics Data System (ADS)

    Margaritondo, G.

    1984-10-01

    This program has produced in recent years a number of fundamental results on the microscopic properties of metal-semiconductor interfaces and on the mechanism of photon stimulated desorption. Both areas of research are of fundamental interest in condensed matter physics. Furthermore they have important applications in technology. The microscopic metal-semiconductor interface properties are directly related to the behavior and performance of the Schottky barrier, one of the building blocks of modern solid-state devices. This program investigates the formation of metal-semiconductor interfaces with some of the most powerful surface-science experimental probes: photoemission spectroscopy with synchrotron radiation, Auger spectroscopy, low-energy electron defraction in high-resolution electron energy loss surface vibrational spectroscopy. The stimulated desorption process is potentially a good probe of the chemical properties of absorbed species, e.g., in catalytic systems.

  12. Disentangling structural information from core-level excitation spectra

    NASA Astrophysics Data System (ADS)

    Niskanen, Johannes; Sahle, Christoph J.; Gilmore, Keith; Uhlig, Frank; Smiatek, Jens; Föhlisch, Alexander

    2017-07-01

    Core-level spectra of liquids can be difficult to interpret due to the presence of a range of local environments. We present computational methods for investigating core-level spectra based on the idea that both local structural parameters and the x-ray spectra behave as functions of the local atomic configuration around the absorbing site. We identify correlations between structural parameters and spectral intensities in defined regions of interest, using the oxygen K-edge excitation spectrum of liquid water as a test case. Our results show that this kind of analysis can find the main structure-spectral relationships of ice, liquid water, and supercritical water.

  13. Surface structure and composition of the missing-row reconstruction of VC 0.8(1 1 0): A LEED, GIXRD and photoemission study

    NASA Astrophysics Data System (ADS)

    Gauthier, Y.; Zasada, I.; De Santis, M.; Langlais, V.; Virojanadara, C.; Johansson, L. I.

    2007-08-01

    Low energy electron diffraction, grazing incidence X-ray diffraction and photoemission were used to decipher the detailed structural arrangement and chemical composition of the surface region of a transition metal carbide, VC 0.8(1 1 0). In agreement with previous scanning tunneling microscopy (STM) studies, we find that the surface reconstructs with a ridge-and-valley grating structure along the [1 1¯ 0] direction resulting from {0 0 1} faceting for the (3 × 1) and the (4 × 1) phases. Both superstructures terminate on the vacuum side with a nearly stoïchiometric VC region due to C segregation, in contrast with the conclusions drawn from this previous STM study. However, the present experiments clearly show that these phases are metastable, and slow cooling results in a (1 × 1) surface, which is highly C depleted, similarly to the (1 0 0) face.

  14. Spin-resolved photoemission study of epitaxially grown MoSe 2 and WSe 2 thin films

    SciTech Connect

    Mo, Sung-Kwan; Hwang, Choongyu; Zhang, Yi; Fanciulli, Mauro; Muff, Stefan; Hugo Dil, J.; Shen, Zhi-Xun; Hussain, Zahid

    2016-09-12

    Few-layer thick MoSe2 and WSe2 possess non-trivial spin textures with sizable spin splitting due to the inversion symmetry breaking embedded in the crystal structure and strong spin–orbit coupling. Here, we report a spin-resolved photoemission study of MoSe2 and WSe2 thin film samples epitaxially grown on a bilayer graphene substrate. Furthermore, we only found spin polarization in the single- and trilayer samples—not in the bilayer sample—mostly along the out-of-plane direction of the sample surface. The measured spin polarization is found to be strongly dependent on the light polarization as well as the measurement geometry, which reveals intricate coupling between the spin and orbital degrees of freedom in this class of material.

  15. Electronic structure of NaxCu1-xIn5S8 compounds: X-ray photoemission spectroscopy study and band structure calculations

    NASA Astrophysics Data System (ADS)

    Guillot-Deudon, Catherine; Harel, Sylvie; Mokrani, Arezki; Lafond, Alain; Barreau, Nicolas; Fernandez, Vincent; Kessler, John

    2008-12-01

    The aim of the present work is to complete a preliminary study concerning the electronic band structure investigations of NaxCu1-xIn5S8 compounds with 0≤x≤1 , which are expected to be formed at the Cu(In,Ga)Se2/In2S3 interface. The band structure calculations demonstrate that for the compounds containing both Na and Cu, as the Cu content increases the band gap tends to decrease, and x-ray photoemission spectroscopy measurements show that this variation is mainly due to valence-band-maximum shift along the solid solution. The band gap strongly depends on the nature of the monovalent cation, and the band structure calculations demonstrate that the d electrons of copper are responsible for the shift of the valence band. In addition, it is worth noting that the Cu-containing compounds have indirect gaps.

  16. Fermi Surface Evolution and Luttinger Theorem in NaxCoO2: A Systematic Photoemission Study

    SciTech Connect

    Yang, H. B.; Pan, Z. H.; Sekharan, A. K. P.; Sato, T.; Souma, S.; Takahashi, T.; Jin, Rongying; Sales, Brian C; Mandrus, David; Fedorov, A. V.; Wang, Z.; Ding, H.

    2005-01-01

    We report a systematic angle-resolved photoemission study on Na{sub x}CoO{sub 2} for a wide range of Na concentrations (0.3 {le} x {le} 0.72). In all the metallic samples at different x, we observed (i) only a single holelike Fermi surface centered around {Gamma} and (ii) its area changes with x according to the Luttinger theorem. We also observed a surface state that exhibits a larger Fermi surface area. The e{prime}{sub g} band and the associated small Fermi surface pockets near the K points predicted by band calculations are found to sink below the Fermi energy in a manner almost independent of the doping and temperature.

  17. Spin-resolved photoemission study of epitaxially grown MoSe 2 and WSe 2 thin films

    SciTech Connect

    Mo, Sung-Kwan; Hwang, Choongyu; Zhang, Yi; Fanciulli, Mauro; Muff, Stefan; Hugo Dil, J.; Shen, Zhi-Xun; Hussain, Zahid

    2016-09-12

    Few-layer thick MoSe2 and WSe2 possess non-trivial spin textures with sizable spin splitting due to the inversion symmetry breaking embedded in the crystal structure and strong spin–orbit coupling. Here, we report a spin-resolved photoemission study of MoSe2 and WSe2 thin film samples epitaxially grown on a bilayer graphene substrate. Furthermore, we only found spin polarization in the single- and trilayer samples—not in the bilayer sample—mostly along the out-of-plane direction of the sample surface. The measured spin polarization is found to be strongly dependent on the light polarization as well as the measurement geometry, which reveals intricate coupling between the spin and orbital degrees of freedom in this class of material.

  18. Plasmon Enhanced Photoemission

    SciTech Connect

    Polyakov, Aleksandr

    2012-05-08

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

  19. Plasmon Enhanced Photoemission

    NASA Astrophysics Data System (ADS)

    Polyakov, Aleksandr N.

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

  20. Conduction-band electronic states of YbInCu{sub 4} studied by photoemission and soft x-ray absorption spectroscopies

    SciTech Connect

    Utsumi, Yuki; Kurihara, Hidenao; Maso, Hiroyuki; Tobimatsu, Komei; Sato, Hitoshi; Shimada, Kenya; Namatame, Hirofumi; Hiraoka, Koichi; Kojima, Kenichi; Ohkochi, Takuo; Fujimori, Shin-ichi; Takeda, Yukiharu; Saitoh, Yuji; Mimura, Kojiro; Ueda, Shigenori; Yamashita, Yoshiyuki; Yoshikawa, Hideki; Kobayashi, Keisuke; Oguchi, Tamio; Taniguchi, Masaki

    2011-09-15

    We have studied conduction-band (CB) electronic states of a typical valence-transition compound YbInCu{sub 4} by means of temperature-dependent hard x-ray photoemission spectroscopy (HX-PES) of the Cu 2p{sub 3/2} and In 3d{sub 5/2} core states taken at h{nu}=5.95 keV, soft x-ray absorption spectroscopy (XAS) of the Cu 2p{sub 3/2} core absorption region around h{nu}{approx}935 eV, and soft x-ray photoemission spectroscopy (SX-PES) of the valence band at the Cu 2p{sub 3/2} absorption edge of h{nu}=933.0 eV. With decreasing temperature below the valence transition at T{sub V}=42 K, we have found that (1) the Cu 2p{sub 3/2} and In 3d{sub 5/2} peaks in the HX-PES spectra exhibit the energy shift toward the lower binding-energy side by {approx}40 and {approx}30 meV, respectively, (2) an energy position of the Cu 2p{sub 3/2} main absorption peak in the XAS spectrum is shifted toward higher photon-energy side by {approx}100 meV, with an appearance of a shoulder structure below the Cu 2p{sub 3/2} main absorption peak, and (3) an intensity of the Cu L{sub 3}VV Auger spectrum is abruptly enhanced. These experimental results suggest that the Fermi level of the CB-derived density of states is shifted toward the lower binding-energy side. We have described the valence transition in YbInCu{sub 4} in terms of the charge transfer from the CB to Yb 4f states.

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

    PubMed

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

    2015-03-01

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

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

    PubMed Central

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

    2015-01-01

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

  3. First-principle calculation of core level binding energies of Li{sub x}PO{sub y}N{sub z} solid electrolyte

    SciTech Connect

    Guille, Émilie; Vallverdu, Germain Baraille, Isabelle

    2014-12-28

    We present first-principle calculations of core-level binding energies for the study of insulating, bulk phase, compounds, based on the Slater-Janak transition state model. Those calculations were performed in order to find a reliable model of the amorphous Li{sub x}PO{sub y}N{sub z} solid electrolyte which is able to reproduce its electronic properties gathered from X-ray photoemission spectroscopy (XPS) experiments. As a starting point, Li{sub 2}PO{sub 2}N models were investigated. These models, proposed by Du et al. on the basis of thermodynamics and vibrational properties, were the first structural models of Li{sub x}PO{sub y}N{sub z}. Thanks to chemical and structural modifications applied to Li{sub 2}PO{sub 2}N structures, which allow to demonstrate the relevance of our computational approach, we raise an issue concerning the possibility of encountering a non-bridging kind of nitrogen atoms (=N{sup −}) in Li{sub x}PO{sub y}N{sub z} compounds.

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

    SciTech Connect

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

    2014-04-14

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

  5. Study of photoemission and work function of large surface areas, phase 3, phase 4. [wavelength dependences of photoelectric space probe materials

    NASA Technical Reports Server (NTRS)

    1973-01-01

    The photoemission of materials which might be used in probe measurements of the exo-atmospheric electric field is considered by evaluating the wavelength dependence of their photoelectric yield for eleven elements over the range 800 to 3200 A. Yield data for zinc, copper beryllium, platinum, cadmium, graphite, carbon, gold, silver, tantalum, and tungsten show that copper-beryllium is a preferred material. Silver has one of the highest photoemissions when exposed to solar radiation.

  6. Two photon photoemission of deposited silver clusters

    NASA Astrophysics Data System (ADS)

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

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

  7. Chemical potential shift and gap-state formation in SrTiO3-δ revealed by photoemission spectroscopy

    NASA Astrophysics Data System (ADS)

    Pal, Prabir; Kumar, Pramod; Aswin, V.; Dogra, Anjana; Joshi, Amish G.

    2014-08-01

    In this study, we report on investigations of the electronic structure of SrTiO3 annealed at temperature ranging between 550 and 840 °C in an ultrahigh vacuum. Annealing induced oxygen vacancies (Ovac) impart considerable changes in the electronic structure of SrTiO3. Using core-level photoemission spectroscopy, we have studied the chemical potential shift (Δμ) as a function of annealing temperature. The result shows that the chemical potential monotonously increases with electron doping in SrTiO3-δ. The monotonous increase of the chemical potential rules out the existence of electronic phase separation in the sample. Using valence band photoemission, we have demonstrated the formation of a low density of states at the near Fermi level electronic spectrum of SrTiO3-δ. The gap-states were observed by spectral weight transfer over a large energy scale of the stoichiometric band gap of SrTiO3 system leading finally to an insulator-metal transition. We have interpreted our results from the point of structural distortions induced by oxygen vacancies.

  8. Angle resolved photoemission spectroscopy and surface states

    NASA Astrophysics Data System (ADS)

    Kar, Nikhiles

    2016-10-01

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

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

    SciTech Connect

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

    2011-09-01

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

  10. Valence band study of Sm0.1Ca0.9 - xSrxMnO3 using high resolution photoemission spectroscopy

    NASA Astrophysics Data System (ADS)

    Dalai, Manas Kumar; Sekhar, Biju Raja; Biswas, Deepnarayan; Thakur, Sangeeta; Maiti, Kalobaran; Chiang, Tai-Chang; Martin, Christine

    2014-03-01

    We have studied the valence band electronic structure of Sm0.1Ca0.9- xSrxMnO3 (x = 0, 0.1, 0.3 and 0.6) at various temperatures using high resolution photoemission spectroscopy (HRPES). The data were taken using a Scienta R4000 energy analyser and the resolution was set at 5 meV. The doping dependent studies of Sm0.1Ca0.9-x SrxMnO3 at 50 K, 100 K and 295 K are quite interesting. The density of eg states near the Fermi level decreases with Sr substitution at the Ca site at 50 K. Also the similar trend has been observed at 100 K. At 295 K the changes in the eg states is quite different than the earlier temperatures where the intensity remains the same for x = 0, 0.1 and 0.3 and then decreases for x = 0.6. These changes in the density of states near the Fermi level will be explained by taking into account the structural, electrical and magnetic properties associated with this system. Permanent affiliation of Manas Kumar Dalai ; CSIR-National Physical Laboratory, New Delhi-110012, India. MKD acknowledges the Indo-US Science and Technology Forum (IUSSTF) for the fellowship.

  11. X-ray magnetic circular dichroism and photoemission studies of ferromagnetism in CaMn1-xRuxO3 thin films

    NASA Astrophysics Data System (ADS)

    Terai, K.; Yoshii, K.; Takeda, Y.; Fujimori, S. I.; Saitoh, Y.; Ohwada, K.; Inami, T.; Okane, T.; Arita, M.; Shimada, K.; Namatame, H.; Taniguchi, M.; Kobayashi, K.; Kobayashi, M.; Fujimori, A.

    2008-03-01

    We have studied the electronic and magnetic properties of epitaxially grown CaMn1-xRuxO3 thin films (x=1.0,0.75,0.5) by soft x-ray absorption, soft x-ray magnetic circular dichroism (XMCD), and hard x-ray photoemission spectroscopy (HXPES) measurements. The XMCD studies indicated that the spin moments of Mn and Ru are aligned in opposite directions. The valence-band HXPES spectra revealed that the Ru4d t2g states around the Fermi level and the Mn3d t2g up-spin states centered ˜2eV below it showed systematic concentration dependences. From these results, we propose that the localized Mn3d t2g states and the itinerant Ru4d t2g band are antiferromagnetically coupled and give rise to the ferromagnetic ordering, which is in analogy to the mechanism proposed for double perovskite oxides, such as Sr2FeMoO6 .

  12. Electronic structure and polar catastrophe at the surface of LixCoO2 studied by angle-resolved photoemission spectroscopy

    NASA Astrophysics Data System (ADS)

    Okamoto, Y.; Matsumoto, R.; Yagihara, T.; Iwai, C.; Miyoshi, K.; Takeuchi, J.; Horiba, K.; Kobayashi, M.; Ono, K.; Kumigashira, H.; Saini, N. L.; Mizokawa, T.

    2017-09-01

    We report an angle-resolved photoemission spectroscopy (ARPES) study of LixCoO2 single crystals which have a hole-doped CoO2 triangular lattice. Similar to NaxCoO2 , the Co 3 d a1 g band crosses the Fermi level with strongly renormalized band dispersion while the Co 3 d eg' bands are fully occupied in LixCoO2 (x =0.46 and 0.71). At x =0.46 , the Fermi surface area is consistent with the bulk hole concentration indicating that the ARPES result represents the bulk electronic structure. On the other hand, at x =0.71 , the Fermi surface area is larger than the expectation which can be associated with the inhomogeneous distribution of Li reported in the previous scanning tunneling microscopy study by Iwaya et al. [Phys. Rev. Lett. 111, 126104 (2013), 10.1103/PhysRevLett.111.126104]. However, the Co 3 d peak is systematically shifted towards the Fermi level with hole doping excluding phase separation between hole rich and hole poor regions in the bulk. Therefore, the deviation of the Fermi surface area at x =0.71 can be attributed to hole redistribution at the surface avoiding polar catastrophe. The bulk Fermi surface of Co 3 d a1 g is very robust around x =0.5 even in the topmost CoO2 layer due to the absence of the polar catastrophe.

  13. Electronic structure of the Na-adsorbed Si(100)2×1 surface studied by inverse and direct angle-resolved photoemission

    NASA Astrophysics Data System (ADS)

    Johansson, L. S. O.; Reihl, B.

    1993-01-01

    The surface electronic band structure of the Na-saturated Si(100)2×1 surface has been studied with angle-resolved inverse and direct photoemission. Single-domain 2×1-reconstructed surfaces were obtained by using vicinal samples. At a sodium coverage of roughly half the saturation coverage, an overlayer-derived empty surface state appears at the Γ¯ point 1.5 eV above the Fermi level. With increasing Na coverage, it moves downward in energy to 0.7 eV at saturation, where it displays a weak upward dispersion along both the Γ¯-J¯ and the Γ¯-J¯' direction. The filled dangling-bond surface band of the clean surface is split by the Na adsorption into two peaks, which also move downward in energy with increasing coverage. As a result, the surface band structure stays semiconducting at saturation with a band gap of about 2.1 eV. This electronic structure is similar to that of the Si(100)2×1-K surface. However, significant differences exist regarding energy positions and dispersions, indicating a weaker interaction within the overlayer and a stronger alkali-substrate interaction in the case of Na, which is also consistent with recent theoretical studies.

  14. High-resolution angle-resolved photoemission studies of high Tc superconductor Bi sub 2 Sr sub 2 CaCu sub 2 O sub 8

    SciTech Connect

    Liu, Rong.

    1990-09-21

    An angle-resolved photoemission study of the normal and superconducting states in Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub 8} was performed. Measurements in the normal state show bands dispersing through the Fermi level from at least 350 meV below E{sub F}. The Fermi level crossings are consistant with local-density band calculation, including a point calculated to be of Bi-O character. Additional measurements were made where bands crossed the Fermi level between 100 and 250K, along with measurements on an adjacent Pt foil. The Fermi edges of both materials agree to within the noise. Below the Fermi level, the spectra show correlation effects on the form of an increased effective mass. The shape of the spectra can be explained by a lifetime-broadened photohole and secondary electrons. The effective inverse photohole lifetime is linear in energy. A superconducting gap has been measured at a number of points where there is density at the Fermi level in the normal state. By proper modeling, a gap of 24 meV was obtained for all these points, including points of Cu-O and Bi-O character respectively, according to band calculation. The lack of gap anisotropy in the basal plane suggests that pinning in this material is not d-wave pairing.

  15. Hard x-ray photoemission study of Yb1-x Zr x B12: the effects of electron doping on the Kondo insulator YbB12.

    PubMed

    Rousuli, A; Sato, H; Iga, F; Hayashi, K; Ishii, K; Wada, T; Nagasaki, T; Mimura, K; Anzai, H; Ichiki, K; Ueda, S; Kondo, A; Kindo, K; Takabatake, T; Shimada, K; Namatame, H; Taniguchi, M

    2017-07-05

    We have carried out hard x-ray photoemission spectroscopy (HAXPES) of Yb1-x Zr x B12 ([Formula: see text]) to study the effects of electron doping on the Kondo insulator YbB12. The Yb valences of Yb1-x Zr x B12 at 300 K estimated from the Yb 3d HAXPES spectra decreased after substituting Yb with Zr from 2.93 for YbB12 to 2.83 for Yb0.125Zr0.875B12. A temperature dependent valence decrease was found upon cooling for all doping concentrations. We found peak shifts of the B 1s and Zr 3d5/2, and Yb(3+) 4f spectra toward the deeper binding-energy with increasing Zr concentration, which indicates a shift of the Fermi level to the higher energy and that of the Yb 4f hole level close to the Fermi level, respectively, due to electron doping. These results qualitatively show the enhanced hybridization between the Yb 4f and conduction-band states with Zr substitution, consistent with magnetic susceptibility measurements.

  16. Hard x-ray photoemission study of Yb1-x Zr x B12: the effects of electron doping on the Kondo insulator YbB12

    NASA Astrophysics Data System (ADS)

    Rousuli, A.; Sato, H.; Iga, F.; Hayashi, K.; Ishii, K.; Wada, T.; Nagasaki, T.; Mimura, K.; Anzai, H.; Ichiki, K.; Ueda, S.; Kondo, A.; Kindo, K.; Takabatake, T.; Shimada, K.; Namatame, H.; Taniguchi, M.

    2017-07-01

    We have carried out hard x-ray photoemission spectroscopy (HAXPES) of Yb1-x Zr x B12 (0≤slant x≤slant 0.875 ) to study the effects of electron doping on the Kondo insulator YbB12. The Yb valences of Yb1-x Zr x B12 at 300 K estimated from the Yb 3d HAXPES spectra decreased after substituting Yb with Zr from 2.93 for YbB12 to 2.83 for Yb0.125Zr0.875B12. A temperature dependent valence decrease was found upon cooling for all doping concentrations. We found peak shifts of the B 1s and Zr 3d5/2, and Yb3+ 4f spectra toward the deeper binding-energy with increasing Zr concentration, which indicates a shift of the Fermi level to the higher energy and that of the Yb 4f hole level close to the Fermi level, respectively, due to electron doping. These results qualitatively show the enhanced hybridization between the Yb 4f and conduction-band states with Zr substitution, consistent with magnetic susceptibility measurements.

  17. Electronic structure of Ce2RhIn8: A two-dimensional heavy-fermion system studied by angle-resolved photoemission spectroscopy

    DOE PAGES

    Jiang, Rui; Mou, Daixing; Liu, Chang; ...

    2015-04-01

    We use angle-resolved photoemission spectroscopy (ARPES) to study the 2D heavy fermion superconductor, Ce₂RhIn₈. The Fermi surface is rather complicated and consists of several hole and electron pockets with one of the sheets displaying strong nesting properties with a q-vector of (0.32, 0.32) π/a. We do not observe kz dispersion of the Fermi sheets, which is consistent with the expected 2D character of the electronic structure. Comparison of the ARPES data to band structure calculations suggests that a localized picture of the f-electrons works best. While there is some agreement in the overall band dispersion and location of the Fermimore » sheets, the model does not reproduce all observed bands and is not completely accurate for those it does. As a result, our data paves the way for improving the band structure calculations and the general understanding of the transport and thermodynamical properties of this material.« less

  18. Two-photon photoemission study of competing Auger and surface-mediated relaxation of hot electrons in CdSe quantum dot solids.

    PubMed

    Sippel, Philipp; Albrecht, Wiebke; Mitoraj, Dariusz; Eichberger, Rainer; Hannappel, Thomas; Vanmaekelbergh, Daniel

    2013-04-10

    Solids composed of colloidal quantum dots hold promise for third generation highly efficient thin-film photovoltaic cells. The presence of well-separated conduction electron states opens the possibility for an energy-selective collection of hot and equilibrated carriers, pushing the efficiency above the one-band gap limit. However, in order to reach this goal the decay of hot carriers within a band must be better understood and prevented, eventually. Here, we present a two-photon photoemission study of the 1Pe→1Se intraband relaxation dynamics in a CdSe quantum dot solid that mimics the active layer in a photovoltaic cell. We observe fast hot electron relaxation from the 1Pe to the 1Se state on a femtosecond-scale by Auger-type energy donation to the hole. However, if the oleic acid capping is exchanged for hexanedithiol capping, fast deep hole trapping competes efficiently with this relaxation pathway, blocking the Auger-type electron-hole energy exchange. A slower decay becomes then visible; we provide evidence that this is a multistep process involving the surface.

  19. Electronic structure of layered 1T-TaSe2 in commensurate charge-density-wave phase studied by angle-resolved photoemission spectroscopy

    NASA Astrophysics Data System (ADS)

    Aiura, Y.; Bando, H.; Kitagawa, R.; Maruyama, S.; Nishihara, Y.; Horiba, K.; Oshima, M.; Shiino, O.; Nakatake, M.

    2003-08-01

    We present a detailed angle-resolved photoemission study of the electronic structure of layered 1T-TaSe2 in the commensurate charge-density-wave (CDW) phase. A considerable reduction in the spectral weight of a quasiparticle band centered at the binding energy of about 0.25 eV below the Fermi level is observed in the momentum space ranging from the end of the first surface Brillouin zone to the second surface Brillouin zone. Moreover, no crossings of the Fermi level are visible in the whole Brillouin zone, meaning that the Fermi level lies in a pseudogap created by the tails of two overlapping Hubbard subbands. Our results indicate that not only the electron-phonon coupling, which is responsible for the formation of the CDW, but also the subsequent electron correlation effects in the Ta 5d band play an important role for the establishment of electronic structure of 1T-TaSe2 in the commensurate CDW phase.

  20. Effects of spin excitons on the surface states of SmB6 : A photoemission study

    SciTech Connect

    Arab, Arian; Gray, A. X.; Nemšák, S.; Evtushinsky, D. V.; Schneider, C. M.; Kim, Dae-Jeong; Fisk, Zachary; Rosa, P. F. S.; Durakiewicz, T.; Riseborough, P. S.

    2016-12-12

    We present the results of a high-resolution valence-band photoemission spectroscopic study of SmB 6 which shows evidence for a V-shaped density of states of surface origin within the bulk gap. The spectroscopy data are interpreted in terms of the existence of heavy 4 f surface states, which may be useful in resolving the controversy concerning the disparate surface Fermi-surface velocities observed in experiments. Most importantly, we find that the temperature dependence of the valence-band spectrum indicates that a small feature appears at a binding energy of about - 9 meV at low temperatures. We also attribute this feature to a resonance caused by the spin-exciton scattering in SmB 6 which destroys the protection of surface states due to time-reversal invariance and spin-momentum locking. Thus, the existence of a low-energy spin exciton may be responsible for the scattering, which suppresses the formation of coherent surface quasiparticles and the appearance of the saturation of the resistivity to temperatures much lower than the coherence temperature associated with the opening of the bulk gap.

  1. STM and LEED studies of atomically ordered terraced Si(557) surfaces

    SciTech Connect

    Chaika, A. N. Bozhko, S. I.; Ionov, A. M.; Myagkov, A. N.; Abrosimov, N. V.

    2007-04-15

    We report results of LEED, STM, and photoemission studies of the atomic and electronic structure of atomically ordered terraced Si(hhm) surfaces. LEED and STM data demonstrate the possibility of fabricating atomically accurate terraced structures based on Si(557) with different periodicities depending on the thermal treatment procedure. Atomically resolved STM images reveal (7 x 7) terrace ordering and triple step structure. Comparative photoemission studies of the valence band and Si 2p core level electronic structure have been done on clean stepped surfaces with different terrace widths (namely, Si(557), Si(556)) and flat Si(111)-(7 x 7)

  2. Dimensionality of the electronic states in Nd0.45Sr0.55MnO3 studied by soft X-ray photoemission

    NASA Astrophysics Data System (ADS)

    Fujiwara, H.; Sekiyama, A.; Yano, M.; Murakawa, T.; Miyamachi, T.; Tsunekawa, M.; Imada, S.; Schmid, B.; Sing, M.; Higashiya, A.; Muro, T.; Nakamura, T.; Noda, K.; Kuwahara, H.; Miyasaka, S.; Tokura, Y.; Suga, S.

    2007-03-01

    The electronic states of Nd0.45Sr0.55MnO3 in the two-dimensional metal phase have been revealed by the high-resolution Mn 2p-3d resonant photoemission. The vanishingly weak intensity at EF indicates an anomalous metal due to the two-dimensionality of the electronic states.

  3. Electronic and geometric structure of thin CoO(100) films studied by angle-resolved photoemission spectroscopy and Auger electron diffraction

    NASA Astrophysics Data System (ADS)

    Heiler, M.; Chassé, A.; Schindler, K.-M.; Hollering, M.; Neddermeyer, H.

    2000-05-01

    We have prepared ordered thin films of CoO by evaporating cobalt in an O 2 atmosphere on to a heated (500 K) Ag(100) substrate. The geometric and electronic structure of the films was characterized by means of Auger electron diffraction (AED) and angle-resolved photoemission spectroscopy (ARUPS), respectively. The experimental AED results were compared with simulated data, which showed that the film grows in (100) orientation on the Ag(100) substrate. Synchrotron-radiation-induced photoemission investigations were performed in the photon energy range from 25 eV to 67 eV. The dispersion of the transitions was found to be similar to that of previous results on a single-crystal CoO(100) surface. The resonance behaviour of the photoemission lines in the valence-band region was investigated by constant-initial-state (CIS) spectroscopy. The implications of this behaviour for assignment of the photoemission lines to specific electronic transitions is discussed and compared with published theoretical models of the electronic structure.

  4. Photoemission-based microelectronic devices

    PubMed Central

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

    2016-01-01

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

  5. Momentum resolution in inverse photoemission

    SciTech Connect

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

    2015-01-15

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

  6. Photoemission-based microelectronic devices

    NASA Astrophysics Data System (ADS)

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

    2016-11-01

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

  7. Anisotropy in the thermal hysteresis of resistivity and charge density wave nature of single crystal SrFeO3-δ: X-ray absorption and photoemission studies.

    PubMed

    Hsieh, S H; Solanki, R S; Wang, Y F; Shao, Y C; Lee, S H; Yao, C H; Du, C H; Wang, H T; Chiou, J W; Chin, Y Y; Tsai, H M; Chen, J-L; Pao, C W; Cheng, C-M; Chen, W-C; Lin, H J; Lee, J F; Chou, F C; Pong, W F

    2017-12-01

    The local electronic and atomic structures of the high-quality single crystal of SrFeO3-δ (δ~0.19) were studied using temperature-dependent x-ray absorption and valence-band photoemission spectroscopy (VB-PES) to investigate the origin of anisotropic resistivity in the ab-plane and along the c-axis close to the region of thermal hysteresis (near temperature for susceptibility maximum, Tm~78 K). All experiments herein were conducted during warming and cooling processes. The Fe L 3,2-edge X-ray linear dichroism results show that during cooling from room temperature to below the transition temperature, the unoccupied Fe 3d e g states remain in persistently out-of-plane 3d 3z(2)-r(2) orbitals. In contrast, in the warming process below the transition temperature, they change from 3d 3z(2)-r(2) to in-plane 3d x(2)-y(2) orbitals. The nearest-neighbor (NN) Fe-O bond lengths also exhibit anisotropic behavior in the ab-plane and along the c-axis below Tm. The anisotropic NN Fe-O bond lengths and Debye-Waller factors stabilize the in-plane Fe 3d x(2)-y(2) and out-of-plane 3d 3z(2)-r(2) orbitals during warming and cooling, respectively. Additionally, a VB-PES study further confirms that a relative band gap opens at low temperature in both the ab-plane and along the c-axis, providing the clear evidence of the charge-density-wave nature of SrFeO3-δ (δ~0.19) single crystal.

  8. Doping Dependence of the $(\\pi,\\pi)$ Shadow Band in La-Based Cuprates Studied by Angle-Resolved Photoemission Spectroscopy

    SciTech Connect

    Shen, Z. X.

    2011-08-15

    The ({pi},{pi}) shadow band (SB) in La-based cuprate family (La214) was studied by angle-resolved photoemission spectroscopy (ARPES) over a wide doping range from x = 0.01 to x = 0.25. Unlike the well-studied case of the Bi-based cuprate family, an overall strong, monotonic doping dependence of the SB intensity at the Fermi level (E{sub F}) was observed. In contrast to a previous report for the presence of the SB only close to x = 1/8, we found it exists in a wide doping range, associated with a doping-independent ({pi},{pi}) wave vector but strongly doping-dependent intensity: It is the strongest at x {approx} 0.03 and systematically diminishes as the doping increases until it becomes negligible in the overdoped regime. This SB with the observed doping dependence of intensity can in principle be caused by the antiferromagnetic fluctuations or a particular form of low-temperature orthorhombic lattice distortion known to persist up to x {approx} 0.21 in the system, with both being weakened with increasing doping. However, a detailed binding energy dependent analysis of the SB at x = 0.07 does not appear to support the former interpretation, leaving the latter as a more plausible candidate, despite a challenge in quantitatively linking the doping dependences of the SB intensity and the magnitude of the lattice distortion. Our finding highlights the necessity of a careful and global consideration of the inherent structural complications for correctly understanding the cuprate Fermiology and its microscopic implication.

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

    NASA Astrophysics Data System (ADS)

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

    2016-10-01

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

  10. Reaction of Water Vapor with alpha-Al203 and alpha-Fe203(0001) Surfaces: Synchrotron X-ray Photoemission Studies and Thermodynamic Calculations

    SciTech Connect

    Liu, Ping N.; Kendelewicz, Thomas; Brown, Gordon E.; Nelson, Eric J.; Chambers, Scott A. )

    1998-11-08

    X-ray photoemission experiments were carried out to study the reaction of water vapor with clean (0001) surfaces of single-crystal corundum (alpha-Al2O3) and single-crystal, thin-film hematite (alpha-Fe2O3) at constant reaction time (3 min) as a function of water vapor pressure[p(H2O)] and, in separate experiments, at longer reactions times(=30 min, with total exposure ranging from 1.8 L to 1.8 x 10 (10) L at constant p(H2)). A two-stage reaction was observed for each oxide surface, with dissociative chemisorption of water occurring mainly at defect sites below threshold pressures of {approx}1 Torr and {approx}10 (-4) Torr for the corundum and hematite (0001) surfaces, respectively. Extensive hydroxylation of these surfaces was found to occur above the respective threshold pressures. Longer exposures to water vapor below these threshold pressures did not result in increased hydroxylation; however, longer exposures above these threshold pressures resulted in increased hydroxylation, as expected. Th e threshold pressure of alpha-Al2O3 was accurately predicted using a simple equilibrium thermodynamic model for the conversion of corundum to gibbsite (Al(OH)3). In contrast, the measured threshold pressure for hematite is more than five orders of magnitude lower than the predicted threshold pressure for the conversion of hematite to FeOOH or Fe(OH)3. This difference between observation and prediction of hematite (0001) is not completely understood, but may be due to the presence of a passivating layer of Fe-hydroxide that reduces the surface energy of the hydroxylated hematite (0001).

  11. Electronic structures of Ga2O3(Gd2O3) gate dielectric on n-Ge(001) as grown and after CF4 plasma treatment: A synchrotron-radiation photoemission study

    NASA Astrophysics Data System (ADS)

    Pi, T.-W.; Lee, W. C.; Huang, M. L.; Chu, L. K.; Lin, T. D.; Chiang, T. H.; Wang, Y. C.; Wu, Y. D.; Hong, M.; Kwo, J.

    2011-03-01

    The interfacial electronic structure of Ga2O3(Gd2O3) (GGO) on n-Ge(001) is determined using high-resolution synchrotron radiation photoemission. The excitation photon energy was specifically chosen to observe the interaction at the GGO/Ge interface (hv = 463 eV) as well as the possible diffusion of Ge up to the GGO surface (hν = 120 eV). The Ge 3d core-level spectra were fit to extract the contributing components. Photoemission measurements were done for four samples, as deposited, N2 annealed, CF4 plasma treated, and the combined CF4 plasma treated and N2 annealed. No surface passivation was employed prior to the dielectric deposition. SRPES data clearly showed that the elemental Ge in the as-deposited sample was effectively kept in the wafer. Prevention of Ge diffusion was attributed to formation of a thin germanatelike oxide layer. Other than contributions from bulk Ge, an analytical fit to the Ge 3d cores gives two components that are associated with bonding to Gd2O3 (GdGe*) and to Ga2O3 (GaGe*), which had chemical shifts of 3.46 and 1.80 eV, respectively. We hereby label them as MGe*, where M stands for either Gd2O3 or Ga2O3. Area occupations of the GdGe* and GaGe* oxides are ˜87% and ˜10%, respectively. A CF4 plasma treatment disturbs the film itself as well as the interfacial oxide so that the GGO surface begins to show both elemental Ge and Ga. Nevertheless, the follow-up N2 annealing produces the GdGe*+GaGe* layer with characteristics similar to those at the GGO/Ge interface. Both GdGe* and GaGe* states in the CN-treated sample show simultaneously a smaller chemical shift by 0.31 ± 0.02 eV than those in the as-deposited sample. The treatments also induce upward band bending on both the high κ and the Ge sides, which causes the valence band offset at the GGO/Ge interface to be 2.95 eV.

  12. Atomic nature of the Schottky barrier height formation of the Ag/GaAs(001)-2 × 4 interface: An in-situ synchrotron radiation photoemission study

    NASA Astrophysics Data System (ADS)

    Cheng, Chiu-Ping; Chen, Wan-Sin; Lin, Keng-Yung; Wei, Guo-Jhen; Cheng, Yi-Ting; Lin, Yen-Hsun; Wan, Hsien-Wen; Pi, Tun-Wen; Tung, Raymond T.; Kwo, Jueinai; Hong, Minghwei

    2017-01-01

    The Interface of Ag with p-type α2 GaAs(001)-2 × 4 has been studied to further understand the formation mechanism of the Schottky barrier height (SBH). In the initial phase of Ag deposition, high-resolution core-level data show that Ag adatoms effectively passivate the surface As-As dimers without breaking them apart. The Ag(+)-As(-) dipoles are thus generated with a maximal potential energy of 0.26 eV; a SBH of 0.38 eV was measured. Greater Ag coverage causes elemental segregation of As/Ga atoms, reversing the direction of the net dipole. The band bending effect near the interface shows a downward shift of 0.08 eV, and the final SBH is similar to the value as measured at the initial Ag deposition. Both parameters are secured at 0.25 Å of Ag thickness prior to the observation of metallic behavior of Ag. Inadequacy of the metal-induced gap-state model for explaining SBH is evident.

  13. Photocathode device that replenishes photoemissive coating

    SciTech Connect

    Moody, Nathan A.; Lizon, David C.

    2016-06-14

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

  14. Photoemission Electron Microscopy of a Plasmonic Silver Nanoparticle Trimer

    SciTech Connect

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

    2013-07-01

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

  15. Lattice charge models and core level shifts in disordered alloys.

    PubMed

    Underwood, T L; Cole, R J

    2013-10-30

    Differences in core level binding energies between atoms belonging to the same chemical species can be related to differences in their intra- and extra-atomic charge distributions, and differences in how their core holes are screened. With this in mind, we consider the charge-excess functional model (CEFM) for net atomic charges in alloys (Bruno et al 2003 Phys. Rev. Lett. 91 166401). We begin by deriving the CEFM energy function in order to elucidate the approximations which underpin this model. We thereafter consider the particular case of the CEFM in which the strengths of the 'local interactions' within all atoms are the same. We show that for binary alloys the ground state charges of this model can be expressed in terms of charge transfer between all pairs of unlike atoms analogously to the linear charge model (Magri et al 1990 Phys. Rev. B 42 11388). Hence, the model considered is a generalization of the linear charge model for alloys containing more than two chemical species. We then determine the model's unknown 'geometric factors' over a wide range of parameter space. These quantities are linked to the nature of charge screening in the model, and we illustrate that the screening becomes increasingly universal as the strength of the local interactions is increased. We then use the model to derive analytical expressions for various physical quantities, including the Madelung energy and the disorder broadening in the core level binding energies. These expressions are applied to ternary random alloys, for which it is shown that the Madelung energy and magnitude of disorder broadening are maximized at the composition at which the two species with the largest 'electronegativity difference' are equal, while the remaining species have a vanishing concentration. This result is somewhat counterintuitive with regards to the disorder broadening since it does not correspond to the composition with the highest entropy. Finally, the model is applied to CuPd and Cu

  16. INVESTIGATION OF PHOTOEMISSION SOLAR ENERGY CONVERTERS

    DTIC Science & Technology

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

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

    NASA Astrophysics Data System (ADS)

    Liao, Qing; Thumm, Uwe

    2015-09-01

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

  18. Observation of core-level binding energy shifts between (100) surface and bulk atoms of epitaxial CuInSe{sub 2}

    SciTech Connect

    Nelson, A.J.; Berry, G.; Rockett, A.

    1997-04-01

    Core-level and valence band photoemission from semiconductors has been shown to exhibit binding energy differences between surface atoms and bulk atoms, thus allowing one to unambiguously distinguish between the two atomic positions. Quite clearly, surface atoms experience a potential different from the bulk due to the lower coordination number - a characteristic feature of any surface is the incomplete atomic coordination. Theoretical accounts of this phenomena are well documented in the literature for III-V and II-VI semiconductors. However, surface state energies corresponding to the equilibrium geometry of (100) and (111) surfaces of Cu-based ternary chalcopyrite semiconductors have not been calculated or experimental determined. These compounds are generating great interest for optoelectronic and photovoltaic applications, and are an isoelectronic analog of the II-VI binary compound semiconductors. Surface core-level binding energy shifts depend on the surface cohesive energies, and surface cohesive energies are related to surface structure. For ternary compound semiconductor surfaces, such as CuInSe{sub 2}, one has the possibility of variations in surface stoichiometry. Applying standard thermodynamical calculations which consider the number of individual surface atoms and their respective chemical potentials should allow one to qualitatively determine the magnitude of surface core-level shifts and, consequently, surface state energies.

  19. Chemical potential shift and gap-state formation in SrTiO{sub 3−δ} revealed by photoemission spectroscopy

    SciTech Connect

    Pal, Prabir Kumar, Pramod; Aswin, V.; Dogra, Anjana; Joshi, Amish G.

    2014-08-07

    In this study, we report on investigations of the electronic structure of SrTiO{sub 3} annealed at temperature ranging between 550 and 840 °C in an ultrahigh vacuum. Annealing induced oxygen vacancies (O{sub vac}) impart considerable changes in the electronic structure of SrTiO{sub 3}. Using core-level photoemission spectroscopy, we have studied the chemical potential shift (Δμ) as a function of annealing temperature. The result shows that the chemical potential monotonously increases with electron doping in SrTiO{sub 3−δ}. The monotonous increase of the chemical potential rules out the existence of electronic phase separation in the sample. Using valence band photoemission, we have demonstrated the formation of a low density of states at the near Fermi level electronic spectrum of SrTiO{sub 3−δ}. The gap-states were observed by spectral weight transfer over a large energy scale of the stoichiometric band gap of SrTiO{sub 3} system leading finally to an insulator-metal transition. We have interpreted our results from the point of structural distortions induced by oxygen vacancies.

  20. Ambient pressure photoemission spectroscopy of metal surfaces

    NASA Astrophysics Data System (ADS)

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

    2014-12-01

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

  1. Photoemission study of fluorination atmospheric pressure plasma processes on EPDM: Influence of the carrier and fluorinating gas

    NASA Astrophysics Data System (ADS)

    Martínez, L.; Huttel, Y.; Verheyde, B.; Vanhulsel, A.; Román, E.

    2010-11-01

    Fluorination plasma treatments at atmospheric pressure were used to modify the surface composition of EPDM elastomer. In this study, two different precursors (CF 4 and SF 6) and two carrier gases (He and Ar) were used for the surface modification of EPDM elastomer. The surface modifications were studied by means of X-ray photoelectron spectroscopy. We have observed a strong influence of the gas selection on the extent of the surface modification induced with these treatments. In general terms, the use of CF 4 generates a higher concentration of fluorine in the elastomer surface. On the other hand, the use of He as carrier gas also increases the effectiveness of the modification process. The fluorine uptake varies between 2 and 13%, although the formation of fluorine-containing functional groups was detected when the amount of fluorine on the surface exceeded 7%. After all treatments, an important oxygen uptake was observed, with amounts three or four times higher than the untreated elastomer.

  2. Photoemission of Mn6Cr single-molecule magnets

    NASA Astrophysics Data System (ADS)

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

    2009-11-01

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

  3. Relativistic calculations of angle-dependent photoemission time delay

    NASA Astrophysics Data System (ADS)

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

    2016-07-01

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

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

    NASA Astrophysics Data System (ADS)

    Igarashi, J.

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

  5. Interaction of Metallophthalocyanines (Mpc, M=Co, Ni) on Au(001): Ultraviolet Photoemission Spectroscopy and Low Energy Electron Diffraction Study

    SciTech Connect

    Ellis,T.; Park, K.; Ulrich, M.; Hulbert, S.; Rowe, J.

    2006-01-01

    Thin films of metallophthalocyanine (MPc,M=Co,Ni) evaporated onto a '5x20' reconstructed Au(001) substrate at room temperature have been investigated by employing low energy electron diffraction (LEED) and ultraviolet photoelectron spectroscopy (UPS). The LEED images from NiPc thin films show that the overlayers are highly ordered with a square unit cell of 12.8x12.8 {angstrom}{sup 2} aligned along the {l_angle}110{r_angle} and {l_angle}1{bar 1}0{r_angle} axes of the Au(001) substrate. For CoPc, the LEED pattern reveals the superposition of multiple rotationally equivalent domains of a 12.9x12.9 {angstrom}{sup 2} square lattice which are rotated by 16{sup o} with respect to each other. The contrast between NiPc and CoPc on Au(001) is further demonstrated in the interfacial electronic structure. UPS studies of the interfacial layers of NiPc deposited on the hexagonally reconstructed gold substrate indicate that NiPc physisorbs on the gold surface as evidenced by a uniform molecular orbital (MO) shift. The CoPc MO's, on the other hand, indicates a charge transfer at the interface, evidenced by the 13a{sub 1g} MO interacting with the Au surface.

  6. O 1s core-level shifts at the anatase TiO2(101)/N3 photovoltaic interface: Signature of H-bonded supramolecular assembly

    NASA Astrophysics Data System (ADS)

    Patrick, Christopher E.; Giustino, Feliciano

    2011-08-01

    We here report an atomic-scale first-principles investigation of the O 1s core-level shifts at the interface between TiO2 and the dye N3 found in dye-sensitized solar cells. We first perform extensive validation of our computational setup in the case of small molecules containing carboxylic acid groups in the gas phase. Then we calculate the O 1s core-level shifts for a variety of atomistic models of the TiO2/N3 interface. We investigate in detail the effects of water contamination, dye packing density, exchange and correlation functionals, and hydrogen-bonding interactions on the calculated core-level spectra. The quantitative comparison between our calculated core-level shifts and measured photoemission spectra [Johansson , J. Phys. Chem. BJPCBFK1520-610610.1021/jp0525282 109, 22256 (2005)] leads us to propose a new atomic-scale model of the TiO2/N3 interface, where the dyes are arranged in supramolecular H-bonded assemblies. Our interface models describe dry TiO2/N3 films as in [Johansson , J. Phys. Chem. BJPCBFK1520-610610.1021/jp0525282 109, 22256 (2005)], and are of direct relevance to solid-state dye-sensitized solar cells. Our present work suggests that the adsorption energetics is not a reliable indicator of the quality of an interface model, and highlights the importance of combining experimental and computational spectroscopy for determining the atomic-scale structure of nanostructured solar cell interfaces.

  7. Time-resolved photoemission using attosecond streaking

    NASA Astrophysics Data System (ADS)

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

    2014-04-01

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

  8. One-step theory of two-photon photoemission

    NASA Astrophysics Data System (ADS)

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

    2016-09-01

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

  9. Soft x-ray photoemission spectroscopy of the Ba atomic layer deposition on the ceramic multiferroic BiFeO3

    NASA Astrophysics Data System (ADS)

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

    2017-04-01

    Electronic structure of the ceramic multiferroic BiFeO3 and the Ba/BiFeO3 nanointerface is investigated in situ in an ultrahigh vacuum by synchrotron-based photoemission spectroscopy with the excited photon energy from 120 eV to 900 eV. The Bi 4f, O 1s, Fe 2p, and Ba 5p core-levels spectra are studied. The Ba atomic layer deposition is found to induce a significant change in spectra that is originated from the charge transfer between Ba adatoms and Bi, O surface atoms with increasing the Bi-valency and O-ionicity. The Fe 2p3/2 core level spectrum for the clean BiFeO3 is shown to contain both the Fe2+ and Fe3+ ion components with the atomic ratio of Fe2+/Fe3+ ∼1. The Ba adsorption is found to increase the ratio up to ∼1.5. This new effect is clearly caused by recharge between Fe3+ ↔ Fe2+ ions with increasing the amount of Fe2+ ions.

  10. Angular momentum-induced delays in solid-state photoemission enhanced by intra-atomic interactions.

    PubMed

    Siek, Fabian; Neb, Sergej; Bartz, Peter; Hensen, Matthias; Strüber, Christian; Fiechter, Sebastian; Torrent-Sucarrat, Miquel; Silkin, Vyacheslav M; Krasovskii, Eugene E; Kabachnik, Nikolay M; Fritzsche, Stephan; Muiño, Ricardo Díez; Echenique, Pedro M; Kazansky, Andrey K; Müller, Norbert; Pfeiffer, Walter; Heinzmann, Ulrich

    2017-09-22

    Attosecond time-resolved photoemission spectroscopy reveals that photoemission from solids is not yet fully understood. The relative emission delays between four photoemission channels measured for the van der Waals crystal tungsten diselenide (WSe2) can only be explained by accounting for both propagation and intra-atomic delays. The intra-atomic delay depends on the angular momentum of the initial localized state and is determined by intra-atomic interactions. For the studied case of WSe2, the photoemission events are time ordered with rising initial-state angular momentum. Including intra-atomic electron-electron interaction and angular momentum of the initial localized state yields excellent agreement between theory and experiment. This has required a revision of existing models for solid-state photoemission, and thus, attosecond time-resolved photoemission from solids provides important benchmarks for improved future photoemission models. Copyright © 2017 The Authors, some rights reserved; exclusive licensee American Association for the Advancement of Science. No claim to original U.S. Government Works.

  11. Photoemission using femtosecond laser pulses

    SciTech Connect

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

    1991-10-01

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

  12. Angle-resolved photoemission studies on bi-layer colossal magnetoresistive oxides lanthanum(2-2x)strontium(1+2x)manganese(2)oxide(7)

    NASA Astrophysics Data System (ADS)

    Sun, Zhe

    In recent years the studies of manganites have flourished initially because of their Colossal Magnetoresistance (CMR) effect. However the scientific community quickly realized that the fundamental physics is abundant, exotic and challenging. Strong correlations of charge, lattice, spin and orbital degrees of freedom have been found to be responsible for many interesting physical phenomena. Of manganites, La2-2xSr 1+2xMn2O 7 has naturally layered crystal structure. The reduced two-dimensional character amplifies fluctuations of electronic, magnetic, and orbital degrees of freedom and interactions of them, which provides good opportunities for an understanding of the rich physics in manganites. In crystals, electrons have intrinsic charge, spin and orbital degrees of freedom, and the electron-phonon interaction has been an active topic for many decades, thus studies of electrons will definitely shed light on important physics in manganites. Angle-resolved photoemission spectroscopy (ARPES) is an ideal probe of electrons, and so by performing ARPES measurements on La2-2 xSr1+2xMn2 O7 we have obtained abundant knowledge of the physics of strong correlations of various degrees of freedom. We have made many new discoveries by exploring the physics in this com-pound. For the first time we resolved bi-layer split band structure of the prototype of bi-layer manganites, which was predicted by theoretical calculations long time ago. We observed minority-spin states in La2-2 xSr1+2xMn 2O7 (x = 0.36--0.39), which gives direct evidence that this system is not a half-metal in this doping iv range. We gave the first direct measurement of electron-phonon coupling strength in manganites and identified the phonon branches to which electrons couple. In addition to band insulator and Mott insulator there is another type of insulator, in which metallic domains and insulating domains coexist and phase separation and percolation effect play important roles in the metal

  13. Angle Resolved Photoemission Spectroscopy Studies of the Mott Insulator to Superconductor Evolution in Ca2-xNaxCuO2Cl2

    SciTech Connect

    Shen, Kyle Michael

    2005-09-02

    It is widely believed that many of the exotic physical properties of the high-T{sub c} cuprate superconductors arise from the proximity of these materials to the strongly correlated, antiferromagnetic Mott insulating state. Therefore, one of the fundamental questions in the field of high-temperature superconductivity is to understand the insulator-to-superconductor transition and precisely how the electronic structure of Mott insulator evolves as the first holes are doped into the system. This dissertation presents high-resolution, doping dependent angle-resolved photoemission (ARPES) studies of the cuprate superconductor Ca{sub 2-x}Na{sub x}CuO{sub 2}Cl{sub 2}, spanning from the undoped parent Mott insulator to a high-temperature superconductor with a T{sub c} of 22 K. A phenomenological model is proposed to explain how the spectral lineshape, the quasiparticle band dispersion, and the chemical potential all progress with doping in a logical and self-consistent framework. This model is based on Franck-Condon broadening observed in polaronic systems where strong electron-boson interactions cause the quasiparticle residue, Z, to be vanishingly small. Comparisons of the low-lying states to different electronic states in the valence band strongly suggest that the coupling of the photohole to the lattice (i.e. lattice polaron formation) is the dominant broadening mechanism for the lower Hubbard band states. Combining this polaronic framework with high-resolution ARPES measurements finally provides a resolution to the long-standing controversy over the behavior of the chemical potential in the high-T{sub c} cuprates. This scenario arises from replacing the conventional Fermi liquid quasiparticle interpretation of the features in the Mott insulator by a Franck-Condon model, allowing the reassignment of the position of the quasiparticle pole. As a function of hole doping, the chemical potential shifts smoothly into the valence band while spectral weight is transferred

  14. Time-resolved photoemission spectroscopy on a metal/ferroelectric heterostructure

    NASA Astrophysics Data System (ADS)

    Rault, J. E.; Agnus, G.; Maroutian, T.; Pillard, V.; Lecoeur, Ph.; Niu, G.; Vilquin, B.; Silly, M. G.; Bendounan, A.; Sirotti, F.; Barrett, N.

    2013-10-01

    In thin-film ferroelectric (FE) capacitors the chemical and electronic structure of the electrode/FE interface can play a crucial role in determining the kinetics of polarization switching. We investigate the electronic structure of a Pt/BaTiO3/SrTiO3:Nb capacitor using time-resolved photoemission spectroscopy. The chemical, electronic, and depth sensitivity of core-level photoemission are used to probe the transient response of different parts of the upper electrode/ferroelectric interface to voltage-pulse-induced polarization reversal. The linear response of the electronic structure agrees quantitatively with a simple RC circuit model. The nonlinear response due to the polarization switch is demonstrated by the time-resolved response of the characteristic core levels of the electrode and the ferroelectric. Adjustment of the RC circuit model allows an estimation of the Pt/BaTiO3 (BTO) interface capacitance. The experiment shows that the interface capacitance is at least 100 times higher than the bulk capacitance of the BTO film, in qualitative agreement with theoretical predictions from the literature.

  15. Laser-assisted photoemission from surfaces

    SciTech Connect

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

    2008-02-15

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

  16. Coherent and incoherent processes in resonant photoemission

    SciTech Connect

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

    1997-04-01

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

  17. Photoemission delay: The White Rabbit's clock

    NASA Astrophysics Data System (ADS)

    Calegari, Francesca

    2017-03-01

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

  18. Electric field and temperature dependence of dielectric permittivity in strontium titanate investigated by a photoemission study on Pt/SrTiO3:Nb junctions

    NASA Astrophysics Data System (ADS)

    Hirose, Sakyo; Okushi, Hideyo; Ueda, Shigenori; Yoshikawa, Hideki; Adachi, Yutaka; Ando, Akira; Ohsawa, Takeo; Haneda, Hajime; Ohashi, Naoki

    2015-05-01

    Schottky junctions made from platinum and niobium-doped strontium titanate (SrTiO3:Nb) were investigated by hard X-ray photoemission (HXPES) and through a band bending behavior simulation using a phenomenological model, which assumes a decrease in dielectric constant due to an electric field. Thus, we confirmed that the observed HXPES spectra at relatively high temperatures, e.g., >250 K, were well simulated using this phenomenological model. In contrast, it was inferred that the model was not appropriate for junction behavior at lower temperatures, e.g., <150 K. Therefore, a reconstruction of the phenomenological model is necessary to adequately explain the dielectric properties of SrTiO3.

  19. FeMn/Fe/Co/Cu(1,1,10) films studied using the magneto-optic Kerr effect and photoemission electron microscopy

    SciTech Connect

    Meng, Y.; Li, J.; Tan, A.; Park, J.; Jin, E.; Son, H.; Doran, A.; Scholl, A.; Arenholz, E.; Zhao, H. W.; Hwang, Chanyong; Qiu, Z. Q.

    2011-07-31

    FeMn/Fe/Co/Cu(1,1,10) films were grown epitaxially and investigated using the magneto-optic Kerr effect and photoemission electron microscopy. We found that FeMn/Fe/Co/Cu(1,1,10) exhibits the same properties as FeMn/Co/Cu(1,1,10) for the ferromagnetic phase of the face centered cubic (fcc) Fe film but a different property for the non-ferromagnetic phase of the fcc Fe film. This result indicates that the characteristic property reported in the literature for FeMn/Co/Cu(001) comes from the FeMn spin structure and is independent of the ferromagnetic layer.

  20. Electric field and temperature dependence of dielectric permittivity in strontium titanate investigated by a photoemission study on Pt/SrTiO{sub 3}:Nb junctions

    SciTech Connect

    Hirose, Sakyo; Okushi, Hideyo; Yoshikawa, Hideki; Adachi, Yutaka; Ohsawa, Takeo; Haneda, Hajime; Ueda, Shigenori; Ando, Akira; Ohashi, Naoki

    2015-05-11

    Schottky junctions made from platinum and niobium-doped strontium titanate (SrTiO{sub 3}:Nb) were investigated by hard X-ray photoemission (HXPES) and through a band bending behavior simulation using a phenomenological model, which assumes a decrease in dielectric constant due to an electric field. Thus, we confirmed that the observed HXPES spectra at relatively high temperatures, e.g., >250 K, were well simulated using this phenomenological model. In contrast, it was inferred that the model was not appropriate for junction behavior at lower temperatures, e.g., <150 K. Therefore, a reconstruction of the phenomenological model is necessary to adequately explain the dielectric properties of SrTiO{sub 3}.

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

    NASA Astrophysics Data System (ADS)

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

    2017-04-01

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

  2. Element-specific study of epitaxial NiO/Ag/CoO/Fe films grown on vicinal Ag(001) using photoemission electron microscopy

    SciTech Connect

    Meng, Y.; Li, J.; Tan, A.; Jin, E.; Son, J.; Park, J. S.; Doran, A.; Young, A. T.; Scholl, A.; Arenholz, E.; Wu, J.; Hwang, C.; Zhao, H. W.; Qiu, Z. Q.

    2011-01-10

    NiO/Ag/CoO/Fe single crystalline films are grown epitaxially on a vicinal Ag(001) substrate using molecular beam epitaxy and investigated by photoemission electron microscopy. We find that after zero-field cooling, the in-plane Fe magnetization switches from parallel to perpendicular direction of the atomic steps of the vicinal surface at thinner CoO thickness but remains in its original direction parallel to the steps at thicker CoO thickness. CoO and NiO domain imaging result shows that both CoO/Fe and NiO/CoO spins are perpendicularly coupled, suggesting that the Fe magnetization switching may be associated with the rotatable-frozen spin transition of the CoO film.

  3. Effects of strain on the electronic structure, superconductivity, and nematicity in FeSe studied by angle-resolved photoemission spectroscopy

    NASA Astrophysics Data System (ADS)

    Phan, G. N.; Nakayama, K.; Sugawara, K.; Sato, T.; Urata, T.; Tanabe, Y.; Tanigaki, K.; Nabeshima, F.; Imai, Y.; Maeda, A.; Takahashi, T.

    2017-06-01

    One of central issues in iron-based superconductors is the role of structural change to the superconducting transition temperature (Tc). It was found in FeSe that the lattice strain leads to a drastic increase in Tc, accompanied by suppression of nematic order. By angle-resolved photoemission spectroscopy on tensile- or compressive-strained and strain-free FeSe, we experimentally show that the in-plane strain causes a marked change in the energy overlap (Δ Eh -e ) between the hole and electron pockets in the normal state. The change in Δ Eh -e modifies the Fermi-surface volume, leading to a change in Tc. Furthermore, the strength of nematicity is also found to be characterized by Δ Eh -e . These results suggest that the key to understanding the phase diagram is the fermiology and interactions linked to the semimetallic band overlap.

  4. Core-level spectroscopy investigation of the Mo{sub 0.75}Re{sub 0.25}(100) surface

    SciTech Connect

    Lyman, P.F.; Zehner, D.M.

    1993-10-01

    Preferential surface segregation in the Mo{sub 0.75}(100) surface region was investigated using high-resolution core-level spectroscopy with synchrotron radiation. The magnitude and direction of the surface core-level shifts observed in this study can be qualitatively understood by comparison to W and Mo core-level shifts. Measured core-level intensities are found to be consistent with the segregation of Mo to the surface of the alloy, with an enrichment of Re in the second layer (as found in previous investigations). It is inferred that both Tc and Os will segregate to the Mo{sub 0.75}Re{sub 0.25}(100) surface.

  5. Layer-dependent Debye temperature and thermal expansion of Ru(0001) by means of high-energy resolution core-level photoelectron spectroscopy

    SciTech Connect

    Ferrari, Eugenio; Galli, Lorenzo; Miniussi, Elisa; Morri, Maurizio; Panighel, Mirko; Ricci, Maria; Lacovig, Paolo; Lizzit, Silvano; Baraldi, Alessandro

    2010-11-15

    The layer-dependent Debye temperature of Ru(0001) is determined by means of high-energy resolution core-level photoelectron spectroscopy measurements. The possibility to disentangle three different components in the Ru 3d{sub 5/2} spectrum of Ru(0001), originating from bulk, first-, and second-layer atoms, allowed us to follow the temperature evolution of their photoemission line shapes and binding energies. Temperature effects were detected, namely, a lattice thermal expansion and a layer-dependent phonon broadening, which was interpreted within the framework of the Hedin-Rosengren formalism based on the Debye theory. The resulting Debye temperature of the top-layer atoms is 295{+-}10 K, lower than that of the bulk (T=668{+-}5 K) and second-layer (T=445{+-}10 K) atoms. While these results are in agreement with the expected phonon softening at the surface, we show that a purely harmonic description of the motion of the surface atoms is not valid, since anharmonic effects contribute significantly to the position and line shape of the different core-level components.

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

    NASA Astrophysics Data System (ADS)

    Patrick, Christopher E.; Giustino, Feliciano

    2012-09-01

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

  7. Calculations of Photoemission from Rutile

    NASA Astrophysics Data System (ADS)

    Hjalmarson, Harold; Schultz, Peter; Moore, Chris

    2015-03-01

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

  8. Surface geometry of (1×1)PHx/Ge(111) determined with angle-resolved photoemission extended fine structure

    NASA Astrophysics Data System (ADS)

    Terminello, L. J.; Leung, K. T.; Hussain, Z.; Hayashi, T.; Zhang, X. S.; Shirley, D. A.

    1990-06-01

    Angle-resolved photoemission extended fine structure (ARPEFS) obtained from the phosphorus 1s core level was studied to determine the chemisorption geometry of (1×1)PHx/Ge(111), prepared by partial dissociation of PH3 adsorbed on Ge(111). We determined that the phosphorus adsorbs 2.26 Å above a first-layer germanium atom, and preferentially tilts toward the second-layer germanium atom with a 0.63-Å lateral displacement from a true atop position. Other geometrical parameters determined from the multiple-scattering, spherical-wave analysis of the ARPEFS include the first- to second-layer germanium Ge(1)-Ge(2) spacing (0.68 Å) and the second- to third-layer germanium Ge(2)-Ge(3) spacing (2.68 Å). This represents a 17% contraction for Ge(1)-Ge(2) and a 9% expansion for Ge(2)-Ge(3). The importance of adsorbate scattering and how it affects data interpretation are also discussed. Comparison of this chemisorption system with other systems is made.

  9. Electron scattering, charge order, and pseudogap physics in La1.6–xNd0.4SrxCuO4: An angle-resolved photoemission spectroscopy study

    DOE PAGES

    Matt, C. E.; Fatuzzo, C. G.; Sassa, Y.; ...

    2015-10-27

    We report an angle-resolved photoemission study of the charge stripe ordered La1.6–xNd0.4SrxCuO4 (Nd-LSCO) system. A comparative and quantitative line-shape analysis is presented as the system evolves from the overdoped regime into the charge ordered phase. On the overdoped side (x = 0.20), a normal-state antinodal spectral gap opens upon cooling below 80 K. In this process, spectral weight is preserved but redistributed to larger energies. A correlation between this spectral gap and electron scattering is found. A different line shape is observed in the antinodal region of charge ordered Nd-LSCO x = 1/8. Significant low-energy spectral weight appears to bemore » lost. As a result, these observations are discussed in terms of spectral-weight redistribution and gapping originating from charge stripe ordering.« less

  10. Electronic structure of Na{sub x}Cu{sub 1-x}In{sub 5}S{sub 8} compounds: X-ray photoemission spectroscopy study and band structure calculations

    SciTech Connect

    Guillot-Deudon, Catherine; Harel, Sylvie; Mokrani, Arezki; Lafond, Alain; Barreau, Nicolas; Fernandez, Vincent; Kessler, John

    2008-12-15

    The aim of the present work is to complete a preliminary study concerning the electronic band structure investigations of Na{sub x}Cu{sub 1-x}In{sub 5}S{sub 8} compounds with 0{<=}x{<=}1, which are expected to be formed at the Cu(In,Ga)Se{sub 2}/In{sub 2}S{sub 3} interface. The band structure calculations demonstrate that for the compounds containing both Na and Cu, as the Cu content increases the band gap tends to decrease, and x-ray photoemission spectroscopy measurements show that this variation is mainly due to valence-band-maximum shift along the solid solution. The band gap strongly depends on the nature of the monovalent cation, and the band structure calculations demonstrate that the d electrons of copper are responsible for the shift of the valence band. In addition, it is worth noting that the Cu-containing compounds have indirect gaps.

  11. Assistance of partially reduced MoO3 interlayer to hole-injection at iron phthalocyanine/ITO interface evidenced by photoemission study

    NASA Astrophysics Data System (ADS)

    Liu, L. Y.; Wan, L.; Cao, L.; Han, Y. Y.; Zhang, W. H.; Chen, T. X.; Guo, P. P.; Wang, K.; Xu, F. Q.

    2013-04-01

    Molybdenum trioxide (MoO3) has been widely used as an interlayer between electrode and functional organic layer inducing significant improvement in the performance of organic electronic and optoelectronic devices such as organic light-emitting diodes (OLEDs) and organic photovoltaics (OPVs). In this work, the electronic structures and energy level alignment at FePc/MoO3 (3 nm)/ITO and FePc/MoOx (3 nm)/ITO (x < 3) interfaces have been comparatively investigated in situ by means of photoemission spectroscopy (PES) in an attempt to understand the influence of MoOx layer on the interfacial hole injection property. It is found that the electron injection barrier is only 0.45 eV for electron extraction from the highest occupied molecular orbital (HOMO) of FePc to the conduction band of MoOx. Simultaneously, two gap states at binding energy of 1.15 eV and 2.30 eV present in 3 nm MoOx, which extend from the valence band maximum of MoOx to the Fermi level. These gap states are suggested to originate from the partial occupation of Mo 4d states due to the reduction of MoO3 during the annealing process. Both lowered electron extraction barrier and presence of interfacial gap states appear to assist the hole injection from ITO anode into FePc by the insertion of MoOx layer.

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

    SciTech Connect

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

    2014-01-28

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

  13. A review of electron-phonon coupling seen in the high-Tc superconductors by angle-resolved photoemission studies (ARPES)

    NASA Astrophysics Data System (ADS)

    Cuk, T.; Lu, D. H.; Zhou, X. J.; Shen, Z.-X.; Devereaux, T. P.; Nagaosa, N.

    2005-01-01

    This issue of pss (b) - basic solid state physics contains a collection of Review Articles on the rather controversially discussed topic of Electron-Phonon Interaction in High-Temperature Superconductors, guest-edited by Miodrag Kuli, Johann Wolfgang Goethe-Universität Frankfurt/Main, Germany, with a Preface written by V. L. Ginzburg and E. G. Maksimov [1].The cover picture, taken from the review [2] by T. Cuk et al., shows plots of the electron-phonon coupling vertex, g2(k, k), where k, k are the initial and final electron momentum for electrons scattered by the bond-buckling phonon B1g (the out-of-phase vibration of the in-plane oxygen) in a tight-binding model of the copper-oxygen plane. The momentum dependence of this vertex, along with the d-wave superconducting gap and the van Hove singularity at the anti-node, accounts for the momentum dependence of the collective mode coupling seen in angle-resolved photoemission data on Bi2212.The present issue also sees the start of our rapid research letters, the fastest peer-reviewed publication medium in solid state physics. For more information see www.pss-rapid.com and the Editorial by the Editor-in-Chief Martin Stutzmann on page 7 [3].

  14. Ultraviolet-photoemission-spectroscopy study of the interaction of atomic hydrogen with cleaved InP: A valence-band contribution

    NASA Astrophysics Data System (ADS)

    Proix, F.; Sébenne, C. A.; El Hafsi, B.; Hricovini, K.; Pinchaux, R.; Bonnet, J. E.

    1991-06-01

    Angular-resolved ultraviolet-photoemission spectroscopy has been used to follow the evolution of the valence-band spectrum of InP(110), cleaved in ultrahigh vacuum, at particular stages of its interaction with atomic hydrogen. Photons in 17-65-eV energy range were used, and electrons at normal emission were energy analyzed. During the first interaction stage, H bonds covalently to the substrate. It induces a removal of the P-associated surface states near the top of both parts of the valence band, and the growth of two additional structures around 4.5 and 6 eV below the valence-band edge. These evolutions arise from the bonding of H to P and very likely to In. The analysis indicates that the first interaction stage may be more complex than a mere adsorption. The decomposition stage at heavy hydrogenation is confirmed by a clear metallic Fermi edge from In and an evolution of the spectra compatible with the presence of an overlayer of P-hydrogenated species.

  15. A fermi liquid electric structure and the nature of the carriers in high-T/sub c/ cuprates: A photoemission study

    SciTech Connect

    Arko, A.J.; List, R.S.; Bartlett, R.J.; Cheong, S.W.; Fisk, Z.; Thompson, J.D.; Olson, C.G.; Yang, A.B.; Liu, R.; Gu, C.; Veal, B.W.; Liu, J.Z.; Paulikas, A.P.; Vandervoort, K.; Claus, H.; Campuzano, J.C.; Schirber, J.E.; Shinn, N.D.

    1989-01-01

    We have performed angle-integrated and angle-resolved photoemission measurements at 20 K on well-characterized single crystals of high-T/sub c/ cuprates (both 1:2:3-type and 2:2:1:2-type) cleaved in situ, and find a relatively large, resolution limited Fermi edge which shows large amplitude variations with photon energy, indicative of band structure final state effects. The lineshapes of the spectra of the 1:2:3 materials as a function of photon energy are well reproduced by band structure predictions, indicating a correct mix of 2p and 3d orbitals on the calculations, while the energy positions of the peaks agree with calculated bands only to within /approx/0.5 eV. This may yet prove to reflect the effects of Coulomb correlation. We nevertheless conclude that a Fermi liquid approach to conductivity is appropriate. Angle-resolved data, while still incomplete, suggest agreement with the Fermi surface predicted by the LDA calculations. A BCS-like energy gap is observed in the 2:2:1:2 materials, whose magnitude is twice the weak coupling BCS value (i.e., 2/Delta/ = 7 KT/sub c/). 49 refs., 11 figs.

  16. Hard x-ray photoemission study of the temperature-induced valence transition system EuNi2(Si1-xGex) 2

    NASA Astrophysics Data System (ADS)

    Ichiki, Katsuya; Mimura, Kojiro; Anzai, Hiroaki; Uozumi, Takayuki; Sato, Hitoshi; Utsumi, Yuki; Ueda, Shigenori; Mitsuda, Akihiro; Wada, Hirofumi; Taguchi, Yukihiro; Shimada, Kenya; Namatame, Hirofumi; Taniguchi, Masaki

    2017-07-01

    We investigated the bulk-derived electronic structure of the temperature-induced valence transition system EuNi2(Si1 -xGex )2 (x =0.70 , 0.79, and 0.82) by means of hard x-ray photoemission spectroscopy (HAXPES). The HAXPES spectra clearly show distinct temperature dependencies in the spectral intensities of the Eu2 + and Eu3 +3 d components. For x =0.70 , the changes in the Eu2 + and Eu3 +3 d spectral components with temperature reflect a continuous valence transition, whereas the sudden changes for x =0.79 and 0.82 reflect first-order valence transitions. The Eu 3 d spectral shapes for all x and particularly the drastic changes in the Eu3 +3 d feature with temperature are validated by a theoretical calculation based on the single-impurity Anderson model (SIAM). SIAM analysis reveals that the valence transition for each x is controlled by the c -f hybridization strength and the charge-transfer energy. Furthermore, the c -f hybridization strength governs the valence transition of this system, which is either first order or continuous, consistent with Kondo volume collapse.

  17. Site-specific intermolecular valence-band dispersion in α-phase crystalline films of cobalt phthalocyanine studied by angle-resolved photoemission spectroscopy

    SciTech Connect

    Yamane, Hiroyuki; Kosugi, Nobuhiro

    2014-12-14

    The valence band structure of α-phase crystalline films of cobalt phthalocyanine (CoPc) grown on Au(111) is investigated by using angle-resolved photoemission spectroscopy (ARPES) with synchrotron radiation. The photo-induced change in the ARPES peaks is noticed in shape and energy of the highest occupied molecular orbital (HOMO, C 2p) and HOMO-1 (Co 3d) of CoPc, and is misleading the interpretation of the electronic properties of CoPc films. From the damage-free normal-emission ARPES measurement, the clear valence-band dispersion has been first observed, showing that orbital-specific behaviors are attributable to the interplay of the intermolecular π-π and π-d interactions. The HOMO band dispersion of 0.1 eV gives the lower limit of the hole mobility for α-CoPc of 28.9 cm{sup 2} V{sup −1} s{sup −1} at 15 K. The non-dispersive character of the split HOMO-1 bands indicates that the localization of the spin state is a possible origin of the antiferromagnetism.

  18. Ce 4 f electronic states of CeO1 -xFxBiS2 studied by soft x-ray photoemission spectroscopy

    NASA Astrophysics Data System (ADS)

    Wakita, Takanori; Terashima, Kensei; Hamada, Takahiro; Fujiwara, Hirokazu; Minohara, Makoto; Kobayashi, Masaki; Horiba, Koji; Kumigashira, Hiroshi; Kutluk, Galif; Nagao, Masanori; Watauchi, Satoshi; Tanaka, Isao; Demura, Satoshi; Okazaki, Hiroyuki; Takano, Yoshihiko; Mizuguchi, Yoshikazu; Miura, Osuke; Okada, Kozo; Muraoka, Yuji; Yokoya, Takayoshi

    2017-02-01

    We use soft x-ray photoemission spectroscopy (SXPES) to investigate Ce 4 f electronic states of a new BiS2 layered superconductor CeO1 -xFxBiS2 , for polycrystalline and single-crystal samples. The Ce 3 d spectrum of the single crystal of nominal composition x =0.7 has no f0 component and the spectral shape closely resembles the ones observed for Ce trivalent insulating compounds, strongly implying that the CeO layer is still in an insulating state even after the F doping. The Ce 3 d -4 f resonant SXPES for both polycrystalline and single-crystal samples shows that the prominent peak is located around 1 eV below the Fermi level (EF) with negligible spectral intensity at EF. The F-concentration dependence of the valence band spectra for single crystals shows the increases of the degeneracy in energy levels and of the interaction between Ce 4 f and S 3 p states. These results give insight into the nature of the CeO1 -xFx layer and the microscopic coexistence of magnetism and superconductivity in CeO1 -xFxBiS2 .

  19. Effects of non-local exchange on core level shifts for gas-phase and adsorbed molecules

    NASA Astrophysics Data System (ADS)

    Van den Bossche, M.; Martin, N. M.; Gustafson, J.; Hakanoglu, C.; Weaver, J. F.; Lundgren, E.; Grönbeck, H.

    2014-07-01

    Density functional theory calculations are often used to interpret experimental shifts in core level binding energies. Calculations based on gradient-corrected (GC) exchange-correlation functionals are known to reproduce measured core level shifts (CLS) of isolated molecules and metal surfaces with reasonable accuracy. In the present study, we discuss a series of examples where the shifts calculated within a GC-functional significantly deviate from the experimental values, namely the CLS of C 1s in ethyl trifluoroacetate, Pd 3d in PdO and the O 1s shift for CO adsorbed on PdO(101). The deviations are traced to effects of the electronic self-interaction error with GC-functionals and substantially better agreements between calculated and measured CLS are obtained when a fraction of exact exchange is used in the exchange-correlation functional.

  20. Photoemission Experiments for Charge Characteristics of Individual Dust Grains

    NASA Technical Reports Server (NTRS)

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

    2001-01-01

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

  1. Bulk sensitive hard x-ray photoemission electron microscopy

    SciTech Connect

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

    2014-11-15

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

  2. Photoemission Experiments for Charge Characteristics of Individual Dust Grains

    NASA Technical Reports Server (NTRS)

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

    2001-01-01

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

  3. Core-level excitation and fragmentation of chlorine dioxide

    NASA Astrophysics Data System (ADS)

    Flesch, R.; Plenge, J.; Rühl, E.

    2006-03-01

    Inner-shell excitation and fragmentation of chlorine dioxide (OClO) in the Cl 2p- and O 1s-excitation regime is reported. The electronic structure of the element-selectively excited radical is studied by X-ray absorption and total cation yields. A comparison of both approaches allows us to estimate the absolute photoionization cross-section and the ionization yield near the Cl 2p- and O 1s-absorption edges. The latter quantity is characteristically enhanced in core-ionization continua. We observe below both core-absorption edges intense core-to-valence-transitions. These are assigned in comparison with related work on core-excited sulfur dioxide. These results give clear evidence that the highest molecular orbital of OClO is half-filled. High-resolution spectra recorded in the Cl 2p-regime show evidence for Rydberg transitions. The extrapolation of the term values of the low-lying Rydberg states allows us to derive the Cl 2p-ionization energy of OClO. Fragmentation of core-excited OClO is reported. Photoelectron-photoion-coincidence (PEPICO) spectra are recorded, indicating that singly and doubly charged fragments are formed. Fission of the doubly and multiply charged OClO leads to singly charged fragments. These are measured by photoion-photoion-coincidence (PIPICO) spectra, where characteristic changes in intensity of the fission channels in the Cl 2p- and O 1s-continuum are observed.

  4. Spin-orbit delays in photoemission

    NASA Astrophysics Data System (ADS)

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

    2017-01-01

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

  5. Theory of hot electron photoemission from graphene

    NASA Astrophysics Data System (ADS)

    Ang, Lay Kee; Liang, Shijun

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

  6. The interaction of H 2S and S 2 with Cs and {Cs}/{ZnO} surfaces: photoemission and molecular-orbital studies

    NASA Astrophysics Data System (ADS)

    Rodriguez, JoséA.; Jirsak, Tomas; Chaturvedi, Sanjay; Hrbek, Jan

    1998-06-01

    the surface chemistry of H 2S and S 2 on metallic Cs and {Cs}/{ZnO} surfaces has been investigated using high-resolution synchrotron based photoemission and ab initio self-consistent-field calculations. Metallic Cs is very reactive toward H 2S and S 2 at temperatures between 100 and 300 K. Pure cesium decomposes H 2S to form Cs 2S compounds. After dosing S 2 to Cs, one obtains Cs 2S and Cs 2S 2 m ( m ≥1 ) compounds. The formation of cesium sulfides induces an increase in the intensity of the Cs 3d levels and large negative shifts (0.8-1.3 eV) in their peak positions. Cesium atoms supported on ZnO are in an ionic state (Cs δ+), but they are still able to interact with H 2S and S 2 more strongly than Zn and O sites of the oxide support. A correlation is found between the electron density on the Cs adatoms and their reactivity: Cs atoms supported on Zn sites of the oxide bond S-containing species (H 2S, HS, S 2, S) are stronger than Cs atoms supported on O sites. H 2S dissociates into HS and atomic S upon adsorption on {Cs}/{ZnO} surfaces at 300 K. The HS species decompose at temperatures below 450 K leaving S atoms that are bonded to Cs and Zn. The adsorption of S 2 on {Cs}/{ZnO} surfaces at 300 K leads to the formation of Cs 2S and Cs 2S 2 m ( m ≥ 1) compounds. Cs↔S interactions increase the thermal stability of cesium on the ZnO surface. The poisoning of Cs/Cu/ZnO catalysts is discussed in light of these results and those previously reported for the S 2/Cu/ZnO system.

  7. Angle-resolved UV photoemission studies of the two-dimensional band structures of sulfur, selenium, and tellurium monolayers adsorbed on aluminium (111)

    NASA Astrophysics Data System (ADS)

    Jacobi, K.; Muschwitz, C. V.; Kambe, K.

    1980-03-01

    On A1(111) surfaces adsorbate layers of S, Se, and Te were prepared by reaction with H 2S and evaporation of selenium and tellurium. Two condensation processes of different rate were found by measuring the photoemission intensity of the adsorbate p-levels as a function of dosis or evaporation time. The first process was identified as the build-up of a monolayer. By LEED and angular resolved UPS it was found that the atoms of the monolayers are hexagonally close packed and aligned to, but not in registry with the substrate. The nearest neighbour distances are 0.35 nm for S, 0.37 nm for Se, and 0.40 nm for Te. These distances are only somewhat smaller than the Van der Waals diameters. By measuring the kinetic energy and emission angle of photoelectrons from the adsorbate p-levels using polarized and unpolarized Hel (21.2eV) radiation the two-dimensional band structures could be constructed. They were found to be similar for all three adsorbate systems and only shifted as a whole to lower binding energies with increasing Z. The two-dimensional band structures were also calculated using a simple tight-binding model. The main features of the experimentally obtained bands could be reproduced by a calculation using only two parameters. The main differences between the calculated and experimentally evaluated bands could be attributed to the interaction of the monolayer with the substrate. For Te no important influence of the spin-orbit coupling was found.

  8. Determination of layer-resolved composition, magnetization, and electronic structure of an Fe/MgO tunnel junction by standing-wave core and valence photoemission

    NASA Astrophysics Data System (ADS)

    Yang, See-Hun; Balke, Benjamin; Papp, Christian; Döring, Sven; Berges, Ulf; Plucinski, L.; Westphal, Carsten; Schneider, Claus M.; Parkin, Stuart S. P.; Fadley, Charles S.

    2011-11-01

    Spin-dependent tunneling across a highly textured MgO insulating barrier has received much attention due to its potential applications in various spintronic devices. However, the interfacial magnetic and electronic structure of a prototypical realization of this in Fe/MgO/Fe and the effective band gap of the MgO layer are still under debate. In order to resolve these issues, we have employed standing-wave excited core and valence photoemission, as well as core-level magnetic circular dichroism (MCD) in photoemission, to study the Fe/MgO interface with subnanometer depth resolution. For our synthetic procedure, we show that the Fe/MgO interface is linearly intermixed in composition over a length of ˜8 Å (˜4 monolayers) and that there is a magnetic dead layer ˜2-3 Å thick. The unambiguous extraction of depth-resolved density of states (DOS) reveals that the interfacial layer composition is mostly metallic and nonmagnetic FeOx, with x ≅ 1, which accounts for a smaller magnetoresistance compared to theoretical predictions. The formation of the magnetic dead layer (FeO) at the interface should also reduce the tunneling spin polarization. The analysis of our data also shows a clear valence band edge of ultrathin MgO layer at ˜3.5 eV below the Fermi level (EF) that is very close to that of single crystal bulk MgO. An analysis that does not consider the interdiffused region separately exhibits the valence band edge for MgO layer ˜1.3 eV below EF, which is significantly closer to the MgO barrier height estimated from magnetotransport measurements and further suggests that the Fe/MgO interdiffusion effectively reduces the MgO band gap.

  9. A New Spin on Photoemission Spectroscopy

    SciTech Connect

    Jozwiak, Chris

    2008-12-01

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

  10. Structural Studies of Clean Semiconductor Surfaces and Metal-Semiconductor Interfaces by Photoemission Extended X-Ray Absorption Fine Structure Spectroscopy.

    NASA Astrophysics Data System (ADS)

    Mangat, Pawitterjit Singh

    We determined the atomic geometries for clean InP(110)-(1 x 1) and Si(111)-(2 x 1) surfaces and Al/InP(110), Ag/InP(110), Bi/InP(110), Na/InP(110) and Al/Si(111) interfaces by photoemission extended x-ray absorption fine structure (PEXAFS) spectroscopy to understand the correlation between electrical Schottky barrier heights and interfacial structure. P 2p PEXAFS for the InP(110) surface and Si 2p PEXAFS for the Si(111) surface were acquired which yielded information on the short range order of substrate atoms on the surface or at the interface. For Al/Si(111) interfaces, we also obtained Al 2p PEXAFS. The data analyzed by Fourier analysis and curve-fitting procedures. The theoretical backscattering phase function of McKale et al. (J. Am. Chem. Soc. 110, 3763 (1988)) and absorber phase function of Teo and Lee (J. Am. Chem. Soc. 101, 2815 (1979)) were used for phase analysis to determine the interatomic bond lengths. For the clean InP(110) surface, we observed surface relaxation. For the Si(111)-(2 x 1) surface, we found 10% contraction in the second near neighborhood Si-Si distance which is not reported in any model. For low coverage reactive metal (Al, Na)/InP(110) interfaces, we observed metal induced surface structural changes which involve removal of relaxation and change in the basis of the surface unit mesh of the substrate. For Ag/InP(110) interfaces, the noble metal atoms were found to remove the relaxation of the first P-In bond length at the interface. These changes in the substrate might bring in interface states within the semiconductor band gap and, consequently, influencing Fermi-level pinning during the Schottky barrier formation. For the Bi/InP(110) interfaces, the relaxation of the clean InP(110) surface is not removed by the deposited Bi atoms. Hence, the Bi/InP(110) interface might not have Fermi-level pinning by interface states due to the interfacial structure of InP. For Al/Si(111) interfaces, the Al atoms do not induce drastic surface

  11. Femtomagnetism in graphene induced by core level excitation of organic adsorbates

    PubMed Central

    Ravikumar, Abhilash; Baby, Anu; Lin, He; Brivio, Gian Paolo; Fratesi, Guido

    2016-01-01

    We predict the induction or suppression of magnetism in the valence shell of physisorbed and chemisorbed organic molecules on graphene occurring on the femtosecond time scale as a result of core level excitations. For physisorbed molecules, where the interaction with graphene is dominated by van der Waals forces and the system is non-magnetic in the ground state, numerical simulations based on density functional theory show that the valence electrons relax towards a spin polarized configuration upon excitation of a core-level electron. The magnetism depends on efficient electron transfer from graphene on the femtosecond time scale. On the other hand, when graphene is covalently functionalized, the system is magnetic in the ground state showing two spin dependent mid gap states localized around the adsorption site. At variance with the physisorbed case upon core-level excitation, the LUMO of the molecule and the mid gap states of graphene hybridize and the relaxed valence shell is not magnetic anymore. PMID:27089847

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

    SciTech Connect

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

    2007-01-19

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

  13. Atomic signatures of local environment from core-level spectroscopy in β -Ga2O3

    NASA Astrophysics Data System (ADS)

    Cocchi, Caterina; Zschiesche, Hannes; Nabok, Dmitrii; Mogilatenko, Anna; Albrecht, Martin; Galazka, Zbigniew; Kirmse, Holm; Draxl, Claudia; Koch, Christoph T.

    2016-08-01

    We present a joint theoretical and experimental study on core-level excitations from the oxygen K edge of β -Ga2O3 . A detailed analysis of the electronic structure reveals the importance of O-Ga hybridization effects in the conduction region. The spectrum from O 1 s core electrons is dominated by excitonic effects, which overall redshift the absorption onset by 0.5 eV, and significantly redistribute the intensity to lower energies. Analysis of the spectra obtained within many-body perturbation theory reveals atomic fingerprints of the inequivalent O atoms. From the comparison of energy-loss near-edge fine-structure (ELNES) spectra computed with respect to different crystal planes, with measurements recorded under the corresponding diffraction conditions, we show how the spectral contributions of specific O atoms can be enhanced while quenching others. These results suggest ELNES, combined with ab initio many-body theory, as a very powerful technique to characterize complex systems, with sensitivity to individual atomic species and to their local environment.

  14. Pressure-induced crossing of the core levels in 5 d metals

    NASA Astrophysics Data System (ADS)

    Tal, Alexey A.; Katsnelson, Mikhail I.; Ekholm, Marcus; Jönsson, H. Johan M.; Dubrovinsky, Leonid; Dubrovinskaia, Natalia; Abrikosov, Igor A.

    2016-05-01

    A pressure-induced interaction between core electrons, the core-level crossing (CLC) transition, has been observed in hcp Os at P ≈400 GPa [L. Dubrovinsky et al., Nature (London) 525, 226 (2015)], 10.1038/nature14681. By carrying out a systematic theoretical study for all metals of the 5 d series (Hf, Ta, W, Re, Os, Ir, Pt, Au) we have found that the CLC transition is a general effect for this series of metals. While in Pt it occurs at ≈1500 GPa , at a pressure substantially higher than in Os, in Ir it occurs already at 80 GPa. Moreover, we predict that in Re the CLC transition may take place already at ambient pressure. We explain the effect of the CLC and analyze the shift of the transition pressure across the series within the Thomas-Fermi model. In particular, we show that the effect has many common features with the atomic collapse in rare-earth elements.

  15. Origin of the core-level binding energy shifts in Au nanoclusters

    NASA Astrophysics Data System (ADS)

    Tal, Alexey A.; Olovsson, Weine; Abrikosov, Igor A.

    2017-06-01

    We investigate the shifts of the core-level binding energies in small gold nanoclusters by using ab initio density-functional-theory calculations. The shift of the 4 f states is calculated for magic-number nanoclusters in a wide range of sizes and morphologies. We find a nonmonotonous behavior of the core-level shift in nanoclusters depending on the size. We demonstrate that there are three main contributions to the Au 4 f shifts, which depend sensitively on the interatomic distances, coordination, and quantum confinement. They are identified and explained by the change of the on-site electrostatic potential.

  16. Photoemission study of some novel materials: Rare earth/transition metal interface, Ba*(0.6)*K*(0.4)*BiO3* and AlPdMn

    NASA Astrophysics Data System (ADS)

    Wu, Xilin

    1995-02-01

    Synchrotron radiation photoemission spectroscopy and low energy electron diffraction (LEED) are applied to explore several novel materials: (1) Ce epitaxial growth on W (110) surfaces; (2) Eu epitaxial growth on Ta (110) surfaces; (3) Sm epitaxial growth on Ta (110) surfaces; (4) quasicrystalline AlPdMn; and (5) superconducting Ba(1-x)K(x)BiO3. In the case of rare earth overlayers on transition metal surface, resonance photoemission spectroscopy is used to enhance the 4f features. The metal surface phase transition is investigated on an atomic-scale. In the case of quasicrystalline AlPdMn and superconducting Ba(1-x)K(x)BiO3 the electronic structures are investigated by angle-resolved photoemission.

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

    PubMed

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

    2012-08-27

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

  18. An x-ray photoemission electron microscopy study of the formation of Ti-Al phases in 4 mol% TiCl3 catalyzed NaAlH4 during high energy ball milling

    NASA Astrophysics Data System (ADS)

    Dobbins, Tabbetha; Abrecht, Mike; Uprety, Youaraj; Moore, Kristan

    2009-05-01

    This study reports reaction pathways to form TiAlx metallic complexes during the high energy ball milling of 4 mol% TiCl3 with NaAlH4 powders determined using local structure analysis of Tix+ and Alx+ species. Using x-ray photoemission electron microscopy (XPEEM) and x-ray diffraction (XRD), the oxidation state of Alx+ and Tix+ and the crystalline compounds existing in equilibrium with NaAlH4 were tracked for samples milled for times of 0 (i.e. mixing), 5, and 25 min. XPEEM analysis of the Al K edge after 5 min of milling reveals that Al remains in the 3+ oxidation state (i.e. in NaAlH4) around Ti0-rich regions of the sample. After 25 min of high energy milling, Ti0 has reacted with Al3+ (in nearby NaAlH4) to form TiAlx complexes. This study reports the pathway for TiAlx complex formation during milling of 4 mol% TiCl3 catalyzed NaAlH4 to be as follows: (1) Ti3+ reduces to Ti0 (with Al3+ near Ti0 regions) and (2) Ti0 reacts with Al3+ in NaAlH4 to form TiAlx complexes.

  19. Observation of two-photon photoemission from cesium telluride photocathodes excited by a near-infrared laser

    NASA Astrophysics Data System (ADS)

    Panuganti, H.; Piot, P.

    2017-02-01

    We explore the nonlinear photoemission in cesium telluride (Cs2Te) photocathodes where an ultrashort (˜100 fs full width at half max) 800-nm infrared laser is used as the drive-laser in lieu of the typical ˜266-nm ultraviolet laser. An important figure of merit for photocathodes, the quantum efficiency, we define here for nonlinear photoemission processes in order to compare with linear photoemission. The charge against drive-laser (infrared) energy is studied for different laser energy and intensity values and cross-compared with previously performed similar studies on copper [P. Musumeci et al., Phys. Rev. Lett. 104, 084801 (2010)], a metallic photocathode. We particularly observe two-photon photoemission in Cs2Te using the infrared laser in contrast to the anticipated three-photon process as observed for metallic photocathodes.

  20. Modeling Shallow Core-Level Transitions in the Reflectance Spectra of Gallium-Containing Semiconductors

    NASA Astrophysics Data System (ADS)

    Stoute, Nicholas; Aspnes, David

    2012-02-01

    The electronic structure of covalent materials is typically approached by band theory. However, shallow core level transitions may be better modeled by an atomic-scale approach. We investigate shallow d-core level reflectance spectra in terms of a local atomic-multiplet theory, a novel application of a theory typically used for higher-energy transitions on more ionic type material systems. We examine specifically structure in reflectance spectra of GaP, GaAs, GaSb, GaSe, and GaAs1-xPx due to transitions that originate from Ga3d core levels and occur in the 20 to 25 eV range. We model these spectra as a Ga^+3 closed-shell ion whose transitions are influenced by perturbations on 3d hole-4p electron final states. These are specifically spin-orbit effects on the hole and electron, and a crystal-field effect on the hole, attributed to surrounding bond charges and positive ligand anions. Empirical radial-strength parameters were obtained by least-squares fitting. General trends with respect to anion electronegativity are consistent with expectations. In addition to the spin-orbit interaction, crystal-field effects play a significant role in breaking the degeneracy of the d levels, and consequently are necessary to understand shallow 3d core level spectra.

  1. Core level shifts in Cu-Pd alloys as a function of bulk composition and structure

    NASA Astrophysics Data System (ADS)

    Boes, Jacob R.; Kondratyuk, Peter; Yin, Chunrong; Miller, James B.; Gellman, Andrew J.; Kitchin, John R.

    2015-10-01

    CuPd alloys are important materials in hydrogen purification, where they are used as dense Pd-based separation membranes. Cu is added to impart sulfur tolerance and improved mechanical properties. At intermediate compositions and T < 873 K, a BCC alloy (B2) phase occurs, which has superior separation characteristics to those of the FCC phases that form at high Cu and high Pd compositions. Identifying the composition and temperature window where the B2 phase forms is a critical need to enable the design of improved alloys. A composition spread alloy film of Cu and Pd was synthesized. The film was characterized by electron back scatter diffraction and X-ray photoelectron spectroscopy, providing the core level shifts as a function of bulk composition and bulk structure. An anomalous deviation in the Cu core level shift was observed in the composition range 0.33 < xPd < 0.55 over which the B2 phase occurs. Density functional theory calculations were used to simulate core level shifts in the FCC and B2 alloy structures. They suggest that the anomalous deviation in core level shift is due to formation of the ordered B2 phase in this composition range.

  2. Time dependence of FEL-induced surface photovoltage on semiconductor interfaces measured with synchroton radiation photoemission spectroscopy

    SciTech Connect

    Marsi, M.; Delboulbe, A.; Garzella, D.

    1995-12-31

    During the last year, the first surface science experiments simultaneously using a Free Electron Laser (FEL) and Synchrotron Radiation (SR) have been performed on SuperACO at LURE (Orsay, France). These {open_quotes}two color{close_quotes} experiments studied the surface photovoltage (SPV) induced on semiconductor surfaces and interfaces by the SuperACO FEL, a storage ring FEL delivering 350 nm photons which am naturally synchronized with the SR; the SPV was measured by synchrotron radiation core-level photoemission spectroscopy on the high-resolution SU3 undulator beamline. We will describe the experimental setup, which allowed us to convey the FEL light onto the samples sitting in the SU3 experimental station by means of a series of mirrors, and show the results we obtained for prototypical systems such as Ag/GaAs(110) and Si(111) 2 x 1. The dependence of the SPV was studied in function of various parameters, changing sample doping and photon flux; but our efforts were mainly devoted to studying its dependence on the time delay between the FEL pump and the SR probe. On SuperACO, such delay can be varied between 1 and 120 ns, the limits being given by the time duration of a SR pulse and by the interval between two consecutive positron bunches, respectively. The results show a clear temporal dependence of the amount of SPV on cleaved Si surfaces, where as the Ag/GaAs(110) does not show any difference on the ns time scale. We will discuss these results in terms of the role of surface recombination in the dynamics of the photoinduced electron-hole pairs. These studies follow the evolution of the density of electrostatic charge at surfaces and interfaces on a nanosecond time scale, and might pave the way for a new series of experiments: for example, one might explore what are the physical mechanisms limiting the time response of Schottky diodes.

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

    SciTech Connect

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

    1997-07-01

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

  4. Electronic structure of Li{sub 1+x}[Mn{sub 0.5}Ni{sub 0.5}]{sub 1−x}O{sub 2} studied by photoemission and x-ray absorption spectroscopy

    SciTech Connect

    Yokoyama, Y.; Ootsuki, D.; Sugimoto, T.; Wadati, H.; Okabayashi, J.; Yang, Xu; Du, Fei; Chen, Gang; Mizokawa, T.

    2015-07-20

    We have studied the electronic structure of Li{sub 1+x}[Mn{sub 0.5}Ni{sub 0.5}]{sub 1−x}O{sub 2} (x = 0.00 and 0.05), one of the promising cathode materials for Li ion battery, by means of x-ray photoemission and absorption spectroscopy. The results show that the valences of Mn and Ni are basically 4+ and 2+, respectively. However, the Mn{sup 3+} component in the x = 0.00 sample gradually increases with the bulk sensitivity of the experiment, indicating that the Jahn-Teller active Mn{sup 3+} ions are introduced in the bulk due to the site exchange between Li and Ni. The Mn{sup 3+} component gets negligibly small in the x = 0.05 sample, which indicates that the excess Li suppresses the site exchange and removes the Jahn-Teller active Mn{sup 3+}.

  5. orbital selective correlation reduce in collapse tetragonal phase of CaFe2(As0.935P0.065)2 and electronic structure reconstruction studied by angel resolved photoemission spectroscopy

    NASA Astrophysics Data System (ADS)

    Zeng, Lingkun

    We performed an angle-resolved photoemission spectroscopy (ARPES) study of the CaFe2(As0.935P0.065)2 in the collapse tetragonal(CT) phase and uncollapse tetragonal(UCT) phase. We find in the CT phase the electronic correlation dramatically reduces respective to UCT phase. Meanwhile, the reduction of correlation in CT phase show an orbital selective effect: correlation in dxy reduces the most, and then dxz/yz, while the one in dz2-r2 almost keeps the same. In CT phase, almost all bands sink downwards to higher binding energy, leading to the hole like bands around Brillouin zone(BZ) center sink below EF compared with UCT phase. However, the electron pocket around Brillouin Zone(BZ) corner(M) in UCT phase, forms a hole pocket around BZ center(Z point) in CT phase. Moreover, the dxy exhibits larger movement down to higher binding energy, resulting in farther away from dyz/xz and closer to dxy.We propose the electron filling ,namely high spin state in UCT phase to low spin state in CT phase(due to competing between crystal structure field and Hund's coupling), other than the Fermi surface nesting might be responsible for the absent of magnetic ordering.

  6. Ce 4f electron in CeH2.1, CeH2.4, CeAl2, CePd3, CeRh3, and CeRu2: A photoemission study using synchrotron radiation

    NASA Astrophysics Data System (ADS)

    Peterman, D. J.; Weaver, J. H.; Croft, M.; Peterson, D. T.

    1983-01-01

    We present a photoemission study of the Ce 4f electron in materials which range from the localized, trivalent (4f1) compounds CeH2 and CeAl2 to the reportedly tetravalent (4f0) compounds CeRh3 and CeRu2. Using synchrotron radiation in the photon energy range of 10<=hν<=140 eV, we compare the valence-band emission of the Ce compounds with that of the analogous La compounds, paying particular attention to resonant behavior near the 4d-->4f transition threshold. In addition, we use the partial photoelectron yield as an indicator of the degree of 4f localization as well as occupation. We find no evidence of a change in 4f occupation across the series CeH2.1-->CeRu2. Instead, we find an increase in the width of the 4f emission and an increase in the effect of the 4f electron on the remaining band states. We conclude that the apparent valence changes in these particular compounds are due primarily to hybridization effects, in agreement with recent band-structure calculations.

  7. Raising Photoemission Efficiency with Surface Acoustic Waves

    SciTech Connect

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

    2012-07-01

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

  8. 5f Resonant photoemission from plutonium

    NASA Astrophysics Data System (ADS)

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

    2002-02-01

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

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

    NASA Astrophysics Data System (ADS)

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

    1984-04-01

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

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

    PubMed

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

    2003-10-31

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

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

    NASA Astrophysics Data System (ADS)

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

    1996-02-01

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

  12. Spin-orbit-induced photoelectron spin polarization in angle-resolved photoemission from both atomic and condensed matter targets.

    PubMed

    Heinzmann, Ulrich; Dil, J Hugo

    2012-05-02

    The existence of highly spin polarized photoelectrons emitted from non-magnetic solids as well as from unpolarized atoms and molecules has been found to be very common in many studies over the past 40 years. This so-called Fano effect is based upon the influence of the spin-orbit interaction in the photoionization or the photoemission process. In a non-angle-resolved photoemission experiment, circularly polarized radiation has to be used to create spin polarized photoelectrons, while in angle-resolved photoemission even unpolarized or linearly polarized radiation is sufficient to get a high spin polarization. In past years the Rashba effect has become very important in the angle-resolved photoemission of solid surfaces, also with an observed high photoelectron spin polarization. It is the purpose of the present topical review to cross-compare the spin polarization experimentally found in angle-resolved photoelectron emission spectroscopy of condensed matter with that of free atoms, to compare it with the Rashba effect and topological insulators to describe the influence and the importance of the spin-orbit interaction and to show and disentangle the matrix element and phase shift effects therein.The relationship between the energy dispersion of these phase shifts and the emission delay of photoelectron emission in attosecond-resolved photoemission is also discussed. Furthermore the influence of chiral structures of the photo-effect target on the spin polarization, the interferences of different spin components in coherent superpositions in photoemission and a cross-comparison of spin polarization in photoemission from non-magnetic solids with XMCD on magnetic materials are presented; these are all based upon the influence of the spin-orbit interaction in angle-resolved photoemission.

  13. Monte Carlo simulations of electron photoemission from cesium antimonide

    NASA Astrophysics Data System (ADS)

    Gupta, Pranav; Cultrera, Luca; Bazarov, Ivan

    2017-06-01

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

  14. Surface structure determination of Au(1 ML)/Fe(15 ML)/Au(100) using angle-resolved photoemission extended fine structure

    NASA Astrophysics Data System (ADS)

    Kellar, S. A.; Chen, Y.; Huff, W. R. A.; Moler, E. J.; Hussain, Z.; Shirley, D. A.

    1998-01-01

    We have determined the atomic surface structure of a thin film of Fe (15 ML) grown on the Au(100) surface, Au(1 ML)/Fe(15 ML)/Au(100), with angle-resolved photoemission extended fine structure (ARPEFS) using the Au 4f7/2 core level. We have confirmed that a bcc crystalline Fe film grows epitaxially on the Au(100) substrate with 1 ML of Au atoms remaining on the surface using angle-resolved photoemission spectroscopy. We analyzed the ARPEFS oscillations using an electron-scattering code based on the Rehr-Albers scattering matrix formalism. Our analysis finds that the surface Au atoms are positioned in the fourfold hollow sites 1.67+/-0.02 Å above the Fe surface. We also find that the grown Fe layers are very like bulk bcc Fe, with an interlayer spacing of 1.43+/-0.03 Å.

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

    NASA Astrophysics Data System (ADS)

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

    2004-04-01

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

  16. Einstein's Photoemission from Quantum Confined Superlattices.

    PubMed

    Debbarma, S; Ghatak, K P

    2016-01-01

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

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

    PubMed

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

    2016-12-21

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

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

    PubMed Central

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

    2016-01-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2016-12-01

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

  20. Photoemission of the K/W(100) system in the O2 atmosphere

    NASA Astrophysics Data System (ADS)

    Knat'ko, M. V.; Lapushkin, M. N.

    2017-07-01

    Simultaneous adsorption of potassium and oxygen on W(100) is studied using the threshold photoemission spectroscopy. A metal potassium film is formed on W(100) in the course of coadsorption of potassium and oxygen at the first stage. At the second stage, the film is transformed into a dielectric layer with the K2O2 stoichiometry.

  1. Monochromatic electron photoemission from diamondoid monolayers

    SciTech Connect

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

    2007-02-27

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

  2. Monochromatic Electron Photoemission from DiamondoidMonolayers

    SciTech Connect

    Yang, W.L.

    2010-04-15

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

  3. Core-level binding-energy shifts for the metallic elements

    NASA Astrophysics Data System (ADS)

    Johansson, Börje; Mårtensson, Nils

    1980-05-01

    A general treatment of core-level binding-energy shifts in metals relative to the free atom is introduced and applied to all elemental metals in the Periodic Table. The crucial ingredients of the theoretical description are (a) the assumption of a fully screened final state in the metallic case and (b) the (Z+1) approximation for the screening valence charge distribution around the core-ionized site. This core-ionized site is, furthermore, treated as an impurity in an otherwise perfect metal. The combination of the complete screening picture and the (Z+1) approximation makes it possible to introduce a Born-Haber cycle which connects the initial state with the final state of the core-ionization process. From this cycle it becomes evident that the main contributions to the core-level shift are the cohesive energy difference between the (Z+1) and Z metal and an appropriate ionization energy of the (Z+1) atom (usually the first ionization potential). The appearance of the ionization potential in the shift originates from the assumption of a charge-neutral final state, while the contribution from the cohesive energies essentially describes the change of bonding properties between the initial and final state of the site. The calculated shifts show very good agreement with available experimental values (at present, for 19 elements). For the other elements we have made an effort to combine experimental ionization potentials with theoretical calculations in order to obtain accurate estimates of some of the atomic-core-level binding energies. Such energies together with measured metallic binding energies give "pseudoexperimental" shifts for many elements. Our calculated core-level shifts agree exceedingly well also with these data. For some of the transition elements the core-level shift shows a deviating behavior in comparison with that of neighboring elements. This is shown to be due to a difference in the atomic ground-state configuration, such as, for example, d5s in

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

    NASA Astrophysics Data System (ADS)

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

    2009-09-01

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

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

    SciTech Connect

    JOHNSON, P.D.; VALLA, T.

    2006-08-01

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

  6. Direct comparative study on the energy level alignments in unoccupied/occupied states of organic semiconductor/electrode interface by constructing in-situ photoemission spectroscopy and Ar gas cluster ion beam sputtering integrated analysis system

    SciTech Connect

    Yun, Dong-Jin Chung, JaeGwan; Kim, Yongsu; Park, Sung-Hoon; Kim, Seong-Heon; Heo, Sung

    2014-10-21

    Through the installation of electron gun and photon detector, an in-situ photoemission and damage-free sputtering integrated analysis system is completely constructed. Therefore, this system enables to accurately characterize the energy level alignments including unoccupied/occupied molecular orbital (LUMO/HOMO) levels at interface region of organic semiconductor/electrode according to depth position. Based on Ultraviolet Photoemission Spectroscopy (UPS), Inverse Photoemission Spectroscopy (IPES), and reflective electron energy loss spectroscopy, the occupied/unoccupied state of in-situ deposited Tris[4-(carbazol-9-yl)phenyl]amine (TCTA) organic semiconductors on Au (E{sub LUMO}: 2.51 eV and E{sub HOMO}: 1.35 eV) and Ti (E{sub LUMO}: 2.19 eV and E{sub HOMO}: 1.69 eV) electrodes are investigated, and the variation of energy level alignments according to work function of electrode (Au: 4.81 eV and Ti: 4.19 eV) is clearly verified. Subsequently, under the same analysis condition, the unoccupied/occupied states at bulk region of TCTA/Au structures are characterized using different Ar gas cluster ion beam (Ar GCIB) and Ar ion sputtering processes, respectively. While the Ar ion sputtering process critically distorts both occupied and unoccupied states in UPS/IPES spectra, the Ar GCIB sputtering process does not give rise to damage on them. Therefore, we clearly confirm that the in-situ photoemission spectroscopy in combination with Ar GCIB sputtering allows of investigating accurate energy level alignments at bulk/interface region as well as surface region of organic semiconductor/electrode structure.

  7. Two-photon photoemission from a copper cathode in an Χ-band photoinjector

    DOE PAGES

    Li, H.; Limborg-Deprey, C.; Adolphsen, C.; ...

    2016-02-24

    This study presents two-photon photoemission from a copper cathode in an X-band photoinjector. We experimentally verified that the electron bunch charge from photoemission out of a copper cathode scales with laser intensity (I) square for 400 nm wavelength photons. We compare this two-photon photoemission process with the single photon process at 266 nm. Despite the high reflectivity (R) of the copper surface for 400 nm photons (R=0.48) and higher thermal energy of photoelectrons (two-photon at 200 nm) compared to 266 nm photoelectrons, the quantum efficiency of the two-photon photoemission process (400 nm) exceeds the single-photon process (266 nm) when themore » incident laser intensity is above 300 GW/cm2. At the same laser pulse energy (E) and other experimental conditions, emitted charge scales inversely with the laser pulse duration. A thermal emittance of 2.7 mm-mrad per mm root mean square (rms) was measured on our cathode which exceeds by sixty percent larger compared to the theoretical predictions, but this discrepancy is similar to previous experimental thermal emittance on copper cathodes with 266 nm photons. The damage of the cathode surface of our first-generation X-band gun from both rf breakdowns and laser impacts mostly explains this result. Using a 400 nm laser can substantially simplify the photoinjector system, and make it an alternative solution for compact pulsed electron sources.« less

  8. Studies of magnetism and exchange scattering in solids using synchroton radiation and spin-polarized photoemission. Progress report, June 1, 1982-May 31, 1983

    SciTech Connect

    Rothberg, G.M.

    1983-01-01

    Some of the experiments necessary for proving the existence of Spin Polarized EXAFS (SPEXAFS) and for establishing it as a useful techncique for studying magnetism in solids have been carried out at the Stanford Synchrotron Radiation Laboratory (SSRL) and the National Synchrotron Light Source (NSLS). Transmission EXAFS, which does not depend on electron spin, has been measured in several manganese compounds. The 3s photopeaks of Mn/sup 2 +/ in MnF/sub 2/ have been shown to display EXAFS-like oscillations. The pin dependence of these oscillations will next be studied. Observations of the 3p photopeaks of iron metal on a palladium substrate have shown anomalous intensity variations with varying photon energy. This phenomenon will also be studied further. The existence of Cooper minima in the iron 3s and 3p photoabsorption cross sections has been sought, and this investigation will continue.

  9. Symmetry rules in magnetic core-level photoelectron spectroscopy from epitaxial ferromagnetic ultrathin films

    NASA Astrophysics Data System (ADS)

    Schellenberg, R.; Meinert, H.; Perez, A.; Kisker, E.

    2001-09-01

    For two x-ray incidence directions onto an epitaxial FeNi(001) film, one to the left and a second one to the right side of the symmetry plane spanned by the magnetization direction and the photoelectron wave vector, we have measured distributions of the emission-angle dependence with respect to the crystallographic axes of the Fe 2p3/2 core-level photoelectron intensity asymmetry occurring upon magnetization reversal. The two angular distributions transform into each other when the signs of the magnetization and of the photoelectron emission angle are inverted, in accordance with the conservation of parity.

  10. Communication: Application of state-specific multireference coupled cluster methods to core-level excitations

    NASA Astrophysics Data System (ADS)

    Brabec, Jiří; Bhaskaran-Nair, Kiran; Govind, Niranjan; Pittner, Jiří; Kowalski, Karol

    2012-11-01

    The concept of the model space underlying multireference coupled-cluster (MRCC) formulations is a powerful tool to deal with complex correlation effects for various electronic states. Here, we demonstrate that iterative state-specific MRCC methods (SS-MRCC) based on properly defined model spaces can be used to describe core-level excited states even when Hartree-Fock orbitals are utilized. We show that the SS-MRCC models with single and double excitations are comparable in accuracy to high-level single reference equation-of-motion coupled cluster (EOMCC) formalism.

  11. Organic [6,6]-phenyl-C61-butyric-acid-methyl-ester field effect transistors: Analysis of the contact properties by combined photoemission spectroscopy and electrical measurements

    NASA Astrophysics Data System (ADS)

    Scheinert, S.; Grobosch, M.; Sprogies, J.; Hörselmann, I.; Knupfer, M.; Paasch, G.

    2013-05-01

    Carrier injection barriers determined by photoemission spectroscopy for organic/metal interfaces are widely accepted to determine the performance of organic field-effect transistors (OFET), which strongly depends on this interface at the source/drain contacts. This assumption is checked here in detail, and a more sophisticated connection is presented. According to the preparation process described in our recently published article [S. Scheinert, J. Appl. Phys. 111, 064502 (2012)], we prepared PCBM/Au and PCBM/Al samples to characterize the interface by photoemission and electrical measurements of PCBM based OFETs with bottom and top (TOC) contacts, respectively. The larger drain currents for TOC OFETs indicate the presence of Schottky contacts at source/drain for both metals. The hole injection barrier as determined by photoemission is 1.8 eV for both Al and Au. Therefore, the electron injection barriers are also the same. In contrast, the drain currents are orders of magnitude larger for the transistors with the Al contacts than for those with the Au contacts. We show that indeed the injection is determined by two other properties measured also by photoemission, the (reduced) work functions, and the interface dipoles, which have different sign for each contact material. In addition, we demonstrate by core-level and valence band photoemission that the deposition of gold as top contact onto PCBM results in the growth of small gold clusters. With increasing gold coverage, the clusters grow inside and begin to form a metallic, but not uniform, closed film onto PCBM.

  12. UV irradiation study of a tripeptide isolated in an argon matrix: A tautomerism process evidenced by infrared and X-ray photoemission spectroscopies

    NASA Astrophysics Data System (ADS)

    Mateo-Marti, E.; Pradier, C. M.

    2013-05-01

    Matrix isolation is a powerful tool for studying photochemical processes occurring in isolated molecules. In this way, we characterized the chemical modifications occurring within a tri peptide molecule, IGF, when exposed to the influence of Ultraviolet (UV) irradiation. This paper first describes the successful formation of the tripeptide (IGF) argon matrix under vacuum conditions, followed by the in situ UV irradiation and characterization of the molecular matrix reactivity after UV-irradiation. These studies have been performed by combining two complementary spectroscopic techniques, Fourier-Transform Reflexion Absorption Spectroscopy (FT-IRRAS) and X-ray Photoelectron Spectroscopy (XPS). The IR spectra of the isolated peptide-matrix, before and after UV irradiation, revealed significant differences that could be associated either to a partial deprotonation of the molecule or to a tautomeric conversion of some amide bonds to imide ones on some peptide molecules. XPS analyses undoubtedly confirmed the second hypothesis; the combination of IRRAS and XPS results provide evidence that UV irradiation of peptides induces a chemical reaction, namely a shift of the double bond, meaning partial conversion from amide tautomer into an imidic acid tautomer.

  13. A photoemission study of the effectiveness of nickel, manganese, and cobalt based corrosion barriers for silicon photo-anodes during water oxidation

    SciTech Connect

    O'Connor, Robert; Bogan, Justin; McCoy, Anthony; Byrne, Conor; Hughes, Greg

    2016-05-21

    Silicon is an attractive material for solar water splitting applications due to its abundance and its capacity to absorb a large fraction of incident solar radiation. However, it has not received as much attention as other materials due to its tendency to oxidize very quickly in aqueous environments, particularly when it is employed as the anode where it drives the oxygen evolution reaction. In recent years, several works have appeared in the literature examining the suitability of thin transition metal oxide films grown on top of the silicon to act as a corrosion barrier. The film should be transparent to solar radiation, allow hole transport from the silicon surface to the electrolyte, and stop the diffusion of oxygen from the electrolyte back to the silicon. In this work, we compare Mn-oxide, Co-oxide, and Ni-oxide thin films grown using physical vapor deposition in order to evaluate which material offers the best combination of photocurrent and corrosion protection. In addition to the electrochemical data, we also present a detailed before-and-after study of the surface chemistry of the films using x-ray photoelectron spectroscopy. This approach allows for a comprehensive analysis of the mechanisms by which the corrosion barriers protect the underlying silicon, and how they degrade during the water oxidation reaction.

  14. A photoemission study of the effectiveness of nickel, manganese, and cobalt based corrosion barriers for silicon photo-anodes during water oxidation

    NASA Astrophysics Data System (ADS)

    O'Connor, Robert; Bogan, Justin; McCoy, Anthony; Byrne, Conor; Hughes, Greg

    2016-05-01

    Silicon is an attractive material for solar water splitting applications due to its abundance and its capacity to absorb a large fraction of incident solar radiation. However, it has not received as much attention as other materials due to its tendency to oxidize very quickly in aqueous environments, particularly when it is employed as the anode where it drives the oxygen evolution reaction. In recent years, several works have appeared in the literature examining the suitability of thin transition metal oxide films grown on top of the silicon to act as a corrosion barrier. The film should be transparent to solar radiation, allow hole transport from the silicon surface to the electrolyte, and stop the diffusion of oxygen from the electrolyte back to the silicon. In this work, we compare Mn-oxide, Co-oxide, and Ni-oxide thin films grown using physical vapor deposition in order to evaluate which material offers the best combination of photocurrent and corrosion protection. In addition to the electrochemical data, we also present a detailed before-and-after study of the surface chemistry of the films using x-ray photoelectron spectroscopy. This approach allows for a comprehensive analysis of the mechanisms by which the corrosion barriers protect the underlying silicon, and how they degrade during the water oxidation reaction.

  15. Core level excitations—A fingerprint of structural and electronic properties of epitaxial silicene

    SciTech Connect

    Friedlein, R. Fleurence, A.; Aoyagi, K.; Yamada-Takamura, Y.; Jong, M. P. de; Van Bui, H.; Wiggers, F. B.; Yoshimoto, S.; Koitaya, T.; Shimizu, S.; Noritake, H.; Mukai, K.; Yoshinobu, J.

    2014-05-14

    From the analysis of high-resolution Si 2p photoelectron and near-edge x-ray absorption fine structure (NEXAFS) spectra, we show that core level excitations of epitaxial silicene on ZrB{sub 2}(0001) thin films are characteristically different from those of sp{sup 3}-hybridized silicon. In particular, it is revealed that the lower Si 2p binding energies and the low onset in the NEXAFS spectra as well as the occurrence of satellite features in the core level spectra are attributed to the screening by low-energy valence electrons and interband transitions between π bands, respectively. The analysis of observed Si 2p intensities related to chemically distinct Si atoms indicates the presence of at least one previously unidentified component. The presence of this component suggests that the observation of stress-related stripe domains in scanning tunnelling microscopy images is intrinsically linked to the relaxation of Si atoms away from energetically unfavourable positions.

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

    SciTech Connect

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

    1997-06-01

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

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

    NASA Astrophysics Data System (ADS)

    Smith, Kevin E.; Henrich, Victor E.

    1990-01-01

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

  18. Timing analysis of two-electron photoemission

    NASA Astrophysics Data System (ADS)

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

    2011-05-01

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

  19. Antiferromagnetically Induced Photoemission Band in the Cuprates

    NASA Astrophysics Data System (ADS)

    Haas, Stephan; Moreo, Adriana; Dagotto, Elbio

    1995-05-01

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

  20. X-ray photoemission analysis of chemically treated GaTe semiconductor surfaces for radiation detector applications

    SciTech Connect

    Nelson, A. J.; Conway, A. M.; Sturm, B. W.; Behymer, E. M.; Reinhardt, C. E.; Nikolic, R. J.; Payne, S. A.; Pabst, G.; Mandal, K. C.

    2009-07-15

    The surface of the layered III-VI chalcogenide semiconductor GaTe was subjected to various chemical treatments commonly used in device fabrication to determine the effect of the resulting microscopic surface composition on transport properties. Various mixtures of H{sub 3}PO{sub 4}:H{sub 2}O{sub 2}:H{sub 2}O were accessed and the treated surfaces were allowed to oxidize in air at ambient temperature. High-resolution core-level photoemission measurements were used to evaluate the subsequent chemistry of the chemically treated surfaces. Metal electrodes were created on laminar (cleaved) and nonlaminar (cut and polished) GaTe surfaces followed by chemical surface treatment and the current versus voltage characteristics were measured. The measurements were correlated to understand the effect of surface chemistry on the electronic structure at these surfaces with the goal of minimizing the surface leakage currents for radiation detector devices.

  1. Molecular photoemission studies using synchrotron radiation

    SciTech Connect

    Truesdale, C.M.

    1983-04-01

    The angular distributions of photoelectrons and Auger electrons were measured by electron spectroscopy using synchrotron radiation. The experimental results are compared with theoretical calculations to interpret the electronic behavior of photoionization for molecular systems.

  2. Photoemission Studies of Low Dimensional Metals

    NASA Astrophysics Data System (ADS)

    Grioni, Marco

    1998-03-01

    High-resolution angle resolved photoelectron spectroscopy (ARPES) is a powerful probe of the electronic structure and instabilities of low-dimensional metals. Quasi-2 dimensional materials, like the layered transition metal dichalcogenides, exhibit dispersing quasiparticle bands, normal Fermi liquid lineshapes, and the expected partial or total Fermi surface collapse induced by charge density wave transitions. By contrast, ARPES reveals unexpected and peculiar spectral properties in quasi 1D compounds. Quite generally, a strong suppression of spectral weight near the chemical potential (a pseudogap) is observed in the metallic state, indicative of strong correlations. This non-standard behavior is confirmed by ARPES results on typical 1D organic conductors like TTF-TCNQ and the Bechgaard salts (TMTSF)_2X (X=PF_6,ClO_4)(F. Zwick et al., Phys. Rev. Lett. 79), 3982 (1997). The absence of traces of the Fermi surface, and the spectral lineshapes, are incompatible with a Fermi liquid scenario, and hint to the charge-spin separation predicted by models for correlated fermions in 1D.

  3. Photoemission study of Li@C60

    NASA Astrophysics Data System (ADS)

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

    2016-05-01

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

  4. A novel approach for the characterization of a bilayer of phenyl-c71-butyric-acid-methyl ester and pentacene using ultraviolet photoemission spectroscopy and argon gas cluster ion beam sputtering process

    SciTech Connect

    Yun, Dong-Jin; Chung, JaeGwan; Jung, Changhoon; Chung, Yeonji; Kim, SeongHeon; Lee, Seunghyup; Kim, Ki-Hong; Han, Hyouksoo; Park, Gyeong-Su; Park, SungHoon

    2013-09-07

    The material arrangement and energy level alignment of an organic bilayer comprising of phenyl-c71-butyric-acid-methyl ester (PCBM-71) and pentacene were studied using ultraviolet photoelectron spectroscopy (UPS) and the argon gas cluster ion beam (GCIB) sputtering process. Although there is a small difference in the full width at half maximum of the carbon C 1s core level peaks and differences in the oxygen O 1s core levels of an X-ray photoemission spectroscopy spectra, these differences are insufficient to clearly distinguish between PCBM-71 and pentacene layers and to classify the interface and bulk regions. On the other hand, the valence band structures in the UPS spectra contain completely distinct configurations for the PCBM-71 and pentacene layers, even when they have similar atomic compositions. According to the valence band structures of the PCBM-71/pentacene/electrodes, the highest unoccupied molecular orbital (HOMO) region of pentacene is at least 0.8 eV closer to the Fermi level than that of PCBM-71 and it does not overlap with any of the chemical states in the valence band structure of PCBM-71. Therefore, by just following the variations in the area of the HOMO region of pentacene, the interface/bulk regions of the PCBM/pentacene layers were distinctly categorized. Besides, the variation of valence band structures as a function of the Ar GCIB sputtering time fully corroborated with the surface morphologies observed in the atomic force microscope images. In summary, we believe that the novel approach, which involves UPS analysis in conjunction with Ar GCIB sputtering, can be one of the best methods to characterize the material distribution and energy level alignments of stacks of organic layers.

  5. Spin-filtered time-of-flight k-space microscopy of Ir - Towards the "complete" photoemission experiment.

    PubMed

    Schönhense, G; Medjanik, K; Chernov, S; Kutnyakhov, D; Fedchenko, O; Ellguth, M; Vasilyev, D; Zaporozhchenko-Zymaková, A; Panzer, D; Oelsner, A; Tusche, C; Schönhense, B; Braun, J; Minár, J; Ebert, H; Viefhaus, J; Wurth, W; Elmers, H J

    2017-07-06

    The combination of momentum microscopy (high resolution imaging of the Fourier plane) with an imaging spin filter has recently set a benchmark in k-resolution and spin-detection efficiency. Here we show that the degree of parallelization can be further increased by time-of-flight energy recording. On the quest towards maximum information (in earlier work termed "complete" photoemission experiment) we have studied the prototypical high-Z fcc metal iridium. Large partial bandgaps and strong spin-orbit interaction lead to a sequence of spin-polarized surface resonances. Soft X-rays give access to the 4D spectral density function ρ (EB,kx,ky,kz) weighted by the photoemission cross section. The Fermi surface and all other energy isosurfaces, Fermi velocity distribution vF(kF), electron or hole conductivity, effective mass and inner potential can be obtained from the multi-dimensional array ρ by simple algorithms. Polarized light reveals the linear and circular dichroism texture in a simple manner and an imaging spin filter exposes the spin texture. One-step photoemission calculations are in fair agreement with experiment. Comparison of the Bloch spectral function with photoemission calculations uncovers that the observed high spin polarization of photoelectrons from bulk bands originates from the photoemission step and is not present in the initial state. Copyright © 2017. Published by Elsevier B.V.

  6. Chemical bonding and charge redistribution - Valence band and core level correlations for the Ni/Si, Pd/Si, and Pt/Si systems

    NASA Technical Reports Server (NTRS)

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

    1982-01-01

    Via a systematic study of the correlation between the core and valence level X-ray photoemission spectra, the nature of the chemical bonding and charge redistribution for bulk transition metal silicides has been examined. Particular emphasis is placed on Pt2Si and PtSi. It is observed that the strength of the metal (d)-silicon (p) interaction increases in the order Ni2Si, Pd2Si, Pt2Si. It is also observed that both the metal and silicon core lines shift to higher binding energy as the silicides are formed. The notion of charge redistribution for metallic bonds is invoked to explain these data.

  7. Chemical bonding and charge redistribution - Valence band and core level correlations for the Ni/Si, Pd/Si, and Pt/Si systems

    NASA Technical Reports Server (NTRS)

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

    1982-01-01

    Via a systematic study of the correlation between the core and valence level X-ray photoemission spectra, the nature of the chemical bonding and charge redistribution for bulk transition metal silicides has been examined. Particular emphasis is placed on Pt2Si and PtSi. It is observed that the strength of the metal (d)-silicon (p) interaction increases in the order Ni2Si, Pd2Si, Pt2Si. It is also observed that both the metal and silicon core lines shift to higher binding energy as the silicides are formed. The notion of charge redistribution for metallic bonds is invoked to explain these data.

  8. Exciton and core-level electron confinement effects in transparent ZnO thin films

    PubMed Central

    Mosquera, Adolfo A.; Horwat, David; Rashkovskiy, Alexandr; Kovalev, Anatoly; Miska, Patrice; Wainstein, Dmitry; Albella, Jose M.; Endrino, Jose L.

    2013-01-01

    The excitonic light emission of ZnO films have been investigated by means of photoluminescence measurements in ultraviolet-visible region. Exciton confinement effects have been observed in thin ZnO coatings with thickness below 20 nm. This is enhanced by a rise of the intensity and a blue shift of the photoluminescence peak after extraction of the adsorbed species upon annealing in air. It is found experimentally that the free exciton energy (determined by the photoluminescence peak) is inversely proportional to the square of the thickness while core-level binding energy is inversely proportional to the thickness. These findings correlate very well with the theory of kinetic and potential confinements.

  9. Physics of the Be(10{bar 1} 0) Surface Core Level Spectrum

    SciTech Connect

    Lizzit, S.; Pohl, K. |; Baraldi, A.; Comelli, G.; Fritzsche, V.; Plummer, E.W. |; Stumpf, R.; Hofmann, P. ||

    1998-10-01

    Photoelectron diffraction has been utilized to confirm the theoretical prediction that the surface core level shifts observed for Be(10{bar 1}0) have been improperly assigned. The original assignment based upon the relative intensity of the shifted components was intuitively obvious: the peak with the largest shift of {minus}0.7 eV with respect to the bulk was associated with the surface plane, the next peak shifted by {minus}0.5 eV stems from the second layer, and the third peak at {minus}0.22 eV from the third and fourth layers. First-principles theory and our experimental data show that the largest shift is associated with the second plane, not the first plane. {copyright} {ital 1998} {ital The American Physical Society }

  10. Direct measurement of core-level relaxation dynamics on a surface- adsorbate system

    NASA Astrophysics Data System (ADS)

    Yin, Jing; Miaja-Avila, Luis; Saathoff, Guido; La-O-Vorakiat, Chan; Murnane, Margaret; Kapteyn, Henry; Mathias, Stefan; Aeschlimann, Martin; Bauer, Michael

    2008-03-01

    Electronic coupling between an adsorbate and the surface on which it resides is fundamental to the understanding of many surface interactions. However, the interaction of highly-excited adsorbate states is an area that has been explored only indirectly to-date. In this work, we present the first direct time-resolved observations of the lifetime of core-excited states of an atom adsorbed onto a surface. By implementing laser-assisted Auger decay on an adsorbate/surface system, we directly measure the lifetime of the 4d-1 core level of Xenon on Pt(111) to be 7.1 ± 1.1 fs. This result opens up time domain measurements of highly-excited state dynamics in materials systems where, because of complex interactions, energy-resolved measurements provide incomplete information.

  11. Direct measurement of core-level relaxation dynamics on a surface- adsorbate system

    NASA Astrophysics Data System (ADS)

    Yin, Jing; Miaja-Avila, Luis; Saathoff, Guido; La-O-Vorakiat, Chan; Murnane, Margaret; Kapteyn, Henry; Mathias, Stefan; Aeschlimann, Martin; Bauer, Michael

    2008-05-01

    Electronic coupling between an adsorbate and the surface on which it resides is fundamental to the understanding of many surface interactions. However, the interaction of highly-excited adsorbate states is an area that has been explored only indirectly to-date. In this work, we present the first direct time-resolved observations of the lifetime of core-excited states of an atom adsorbed onto a surface. By implementing laser-assisted Auger decay on an adsorbate/surface system, we directly measure the lifetime of the 4d-1 core level of Xenon on Pt(111) to be 7.1 ± 1.1 fs. This result opens up time domain measurements of highly-excited state dynamics in materials systems where, because of complex interactions, energy-resolved measurements provide incomplete information.

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

    NASA Astrophysics Data System (ADS)

    Lahiri, Jayeeta; Senanayake, Sanjaya; Batzill, Matthias

    2008-10-01

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

  13. Spin polarization in photoemission from the cuprate superconductor Bi2Sr2CaCu2O8 +δ

    NASA Astrophysics Data System (ADS)

    Fanciulli, Mauro; Muff, Stefan; Weber, Andrew P.; Dil, J. Hugo

    2017-06-01

    Photoelectrons produced from the excitation of spin-degenerate states in solids can have a sizable spin polarization, which is related to the phase of interfering channels in the photoemission matrix elements. Such spin polarization can be measured by spin-resolved photoemission spectroscopy to gain information about the transitions and the Wigner time delay of the process. Incorporating strongly correlated electron systems into this paradigm could yield a novel means of extracting phase information crucial to understanding the mechanism of their emergent behavior. In this work, we present, as a case study, experimental measurements of the cuprate superconductor Bi2Sr2CaCu2O8 +δ by spin-resolved photoemission while maintaining full angular and energy resolution. A spin polarization of at least 10 % is observed, which is related to the phase of the photoelectron wave function.

  14. Photoemission Circular Dichroism and Spin Polarization of the Topological Surface States in Ultrathin Bi2Te3 Films.

    PubMed

    Xu, C-Z; Liu, Y; Yukawa, R; Zhang, L-X; Matsuda, I; Miller, T; Chiang, T-C

    2015-07-03

    Circular dichroism (CD) observed by photoemission, being sensitive to the orbital and spin angular momenta of the electronic states, is a powerful probe of the nontrivial surface states of topological insulators, but the experimental results thus far have eluded a comprehensive description. We report a study of Bi2Te3 films with thicknesses ranging from one quintuple layer (two-dimensional limit) to 12 layers (bulk limit) over a wide range of incident photon energy. The data show complex variations in magnitude and sign reversals, which are nevertheless well described by a theoretical calculation including all three photoemission mechanisms: dipole transition, surface photoemission, and spin-orbit coupling. The results establish the nontrivial connection between the spin-orbit texture and CD.

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

    NASA Astrophysics Data System (ADS)

    Paul, Sanhita; Ghosh, Anirudha; Raj, Satyabrata

    2013-06-01

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

  16. Observation by resonant angle-resolved photoemission of a critical thickness for 2-dimensional electron gas formation in SrTiO{sub 3} embedded in GdTiO{sub 3}

    SciTech Connect

    Nemšák, S.; Conti, G.; Palsson, G. K.; Conlon, C.; Fadley, C. S.; Cho, S.; Rault, J. E.; Avila, J.; Asensio, M.-C.; Jackson, C. A.; Moetakef, P.; Janotti, A.; Bjaalie, L.; Himmetoglu, B.; Van de Walle, C. G.; Stemmer, S.; Balents, L.; Schneider, C. M.

    2015-12-07

    For certain conditions of layer thickness, the interface between GdTiO{sub 3} (GTO) and SrTiO{sub 3} (STO) in multilayer samples has been found to form a two-dimensional electron gas (2DEG) with very interesting properties including high mobilities and ferromagnetism. We have here studied two trilayer samples of the form [2 nm GTO/1.0 or 1.5 unit cells STO/10 nm GTO] as grown on (001) (LaAlO{sub 3}){sub 0.3}(Sr{sub 2}AlTaO{sub 6}){sub 0.7}, with the STO layer thicknesses being at what has been suggested is the critical thickness for 2DEG formation. We have studied these with Ti-resonant angle-resolved and angle-integrated photoemission and find that the spectral feature in the spectra associated with the 2DEG is present in the 1.5 unit cell sample, but not in the 1.0 unit cell sample. We also observe through core-level spectra additional states in Ti and Sr, with the strength of a low-binding-energy state for Sr being associated with the appearance of the 2DEG, and we suggest it to have an origin in final-state core-hole screening.

  17. Ultrahigh-resolution Photoemission of Correlated Systems

    NASA Astrophysics Data System (ADS)

    Grioni, Marco

    2001-03-01

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

  18. Calculation of Resonant Photoemission and Auger Spectra in La2CuO4

    NASA Astrophysics Data System (ADS)

    Igarashi, Jun-ichi

    1990-05-01

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

  19. Angle-Resolved Resonant Photoemission as a Probe of Spatial Localization and Character of Electron States

    NASA Astrophysics Data System (ADS)

    Molodtsov, S. L.; Richter, M.; Danzenbächer, S.; Wieling, S.; Steinbeck, L.; Laubschat, C.

    1997-01-01

    Resonant photoemission (PE) in the angle-resolved mode is proposed as a method to determine the spatial localization and the angular momentum character of valence band states from on-resonance PE signals across the Brillouin zone. This technique is applied to study ordered films of La metal. The obtained experimental data agree well with the results of band-structure calculations and related eigenvector analysis.

  20. Time-resolved photoemission electron microscopy imaging of mode coupling between three interacting magnetic vortices

    SciTech Connect

    Wang, Xiao; Cheng, X. M.; Keavney, D. J.; Asmat-Uceda, M.; Buchanan, K. S.; Melikyan, A.

    2014-09-08

    The interactions between three magnetic vortices in a planar equilateral triangular arrangement were studied by time-resolved photoemission electron microscopy. The gyrotropic resonance frequencies of the three individual vortices in the tri-disk system are different from one another and also shifted from that of an isolated vortex by as much as 12%. A comparison with analytical calculations and numerical simulations shows that the observed frequency shifts result from the dipolar interaction between the vortices.

  1. Adsorption and dissociation of acidic trace gases on ice surfaces - caught in the act with core level spectroscopy

    NASA Astrophysics Data System (ADS)

    Waldner, Astrid; Orlando, Fabrizio; Ammann, Markus; Kleibert, Armin; Huthwelker, Thomas; Peter, Thomas; Bartels-Rausch, Thorsten

    2015-04-01

    Chemistry and physical processes in Earth's ice and snow cover can change the composition of the atmosphere and the contaminant content of the cryosphere. They have thus direct impacts on geochemical cycles and the climate system. Our ability to predict the fate of chemicals in snow or air masses in exchange with the cryosphere on a regional scale or to model those in snow chemistry models is currently hampered by our limited understanding of the underlying mechanisms on a molecular level. So far, direct experimental observations under environmentally relevant conditions of the ice surface and of the adsorption of trace gases to it are very limited. The unique approach of this study is to combine two surface sensitive spectroscopic methods to directly probe the hydrogen-bonding network at the ice surface ( ~1 nm depth) and the concentration, depth profile (~1 to 10 nm), and dissociation degree of the dopant. We present first core-electron photoemission (XPS) and partial electron yield X-ray absorption (NEXAFS) measurements of formic acid adsorbed to ice at 240 K. The analysis of oxygen NEXAFS spectra reveals information on changes in the hydrogen-bonding network of the ice surface upon adsorption of formic acid. Depth profiles based on XPS measurements indicate that the adsorbed acid stays at the ice surface. Furthermore we obtained a preliminary estimation of the degree of formic acid dissociation at the ice surface. Results are compared to earlier core-electron studies of several trace gases adsorbed to ice at 240 K and compared to results from more traditional method to and snow to reveal fundamental aspects of the ice surface and how it interacts with dopants. Even with the focus on adsorption of acidic trace gases to ice, results of this study will thus be of high relevance also for other chemical processes in ice and snow. This is of interest not only in environmental science but also in material science, cryobiology, and astrophysics.

  2. Core level electron binding energies of realgar (As{sub 4}S{sub 4})

    SciTech Connect

    Pratt, A.R.; Nesbitt, H.W.

    2000-04-01

    XPS broad scans and high-resolution narrow-region spectra were collected from fresh realgar (As{sub 4}S{sub 4}) surfaces to measure core level S and As binding energies. Reasonably accurate As and S concentrations were determined from XPS broad scans using peak areas and manufacturer supplied sensitivity factors. High resolution S(2p) and As(3d) narrow region spectra were comprised of photoelectron emissions indicative of As and S in intermediate oxidation states akin to binding energies of As and S polymeric species. S(2p) spectra were interpreted using only S contributions expected from the bulk mineral matrix and showed that S was not greatly affected by surface state phenomena. This was attributed to breakage of intermolecular van der Waals bonds rather than covalent interatomic bonds. As(3d) spectra were found to contain two contributions one from As atoms in As{sub 4}S{sub 4} molecules in the bulk mineral matrix and another possibly from As atoms in molecules situated at the surface.

  3. Large-scale Bethe-Salpeter equation calculations of core-level x-ray spectra

    NASA Astrophysics Data System (ADS)

    Rehr, J. J.; Vinson, J.; Gilmore, K.

    2013-03-01

    Recently an approach has been developed for Bethe-Salpeter equation (BSE) calculations of core-level x-ray spectra, which is implemented in the OCEAN package [3] which combines plane-wave, pseudopotential DFT electronic structure, PAW transition elements, GW self-energy corrections, and the NIST BSE solver. The method yields both dipole limited and finite momentum transfer spectra. Here we discuss several recent advances which yield a unified treatment of both extended states and atomic multiplet effects. In particular our approach now includes spin-dependent potentials and hole-dependent lifetimes, and gives an improved treatment of L2,3 edges, where contributions to spectral weight come from a mix of two distinct core holes. We have also extended the code interface to include pseudopotential wave functions from ABINIT, QUANTUMESPRESSO, or an interpolation based scheme, thus enabling large-scale calculations with unit cells in excess of 2000 Å3. Applications to water and ice structures are briefly discussed. Supported by DOE BES Grant DE-FG03-97ER45623 and facilitated by the DOE CMCSN

  4. Calculation of core-level excitation in some MAX-phase compounds

    NASA Astrophysics Data System (ADS)

    Wang, Liaoyuan; Rulis, Paul; Ching, W. Y.

    2013-07-01

    We report first-principles spectroscopic calculation of core level excitations in five MAX-phase compounds. The spectra of Ti-K edges in Ti2AlC and Ti2AlN, C-K edge in Ti2AlC, N-K edge in Ti2AlN, and Nb-K edge in Nb2AlC are calculated and found to be in good agreement with reported experimental measurements. Based on this agreement, the Al-K and Al-L3 edges in the same five phases plus the Cr-K and C-K edges in Cr2AlC and the C-K edge in Nb2AlC are calculated as theoretical predictions. We further analyze the anisotropy in the calculated spectra to gain additional insights on the structure-properties relationships in these MAX-phase compounds. These results are further discussed in the context of the local atomic environments of the M, A, and X elements in MAX-phase compounds and in relation to their fundamental electronic structures.

  5. Universal versus Material-Dependent Two-Gap Behaviors in the High-Tc Cuprates: Angle-Resolved Photoemission Study of La_2-xSr_xCuO_4

    SciTech Connect

    Yoshida, T.

    2010-06-04

    We have investigated the doping and temperature dependences of the pseudogap/superconducting gap in the single-layer cuprate La{sub 2-x}Sr{sub x}CuO{sub 4} by angle-resolved photoemission spectroscopy. The results clearly exhibit two distinct energy and temperature scales, namely, the gap around ({pi}, 0) of magnitude {Delta}{asterisk} and the gap around the node characterized by the d-wave order parameter {delta}{sub 0}, like the double-layer cuprate Bi2212. In comparison with Bi2212 having higher T{sub c}'s, {delta}{sub 0} is smaller, while {delta}{asterisk} and T{ampersand} are similar. This result suggests that {delta}{asterisk} and T{asterisk} are approximately material-independent properties of a single Cu0{sub 2} plane, in contrast the material-dependent {delta}{sub 0}, representing the pairing strength.

  6. Synchrotron radiation photoemission study of interfacial electronic structure of HfO2 on In0.53Ga0.47As(001)-4 × 2 from atomic layer deposition

    NASA Astrophysics Data System (ADS)

    Pi, T. W.; Lin, T. D.; Lin, H. Y.; Chang, Y. C.; Wertheim, G. K.; Kwo, J.; Hong, M.

    2014-01-01

    The growth of a passivating layer on a In0.53Ga0.47As(001)-4 × 2 surface by atomic-layer deposition of tetrakis[ethylmethylamino]Hafnium (TEMAHf)) followed by the water pulse was investigated by synchrotron radiation photoemission. The Hf atoms maintain four-fold coordination, both after the initial TEMAHf deposition and the subsequent water pulse. The Hf atoms initially bond to the As dangling bonds of the surface As atom located on the edges of the raised ridges. One EMA ligand is removed in this process. Subsequent water exposure substitutes OH ligand for one or more remaining EMA ligands. These in turn react with TEMAHf to form Hf-O-Hf bonds allowing the hafnium oxides to grow. The surface In atoms on the terrace of the raised ridges were partially removed, but none bonded of the precursor atoms. Correlations between the interfacial electronic structure and the electric performance are discussed.

  7. Core-Exciton Decay in Photoemission and the Nonmetal - Transition.

    NASA Astrophysics Data System (ADS)

    Zhang, Jiandi

    Ultra thin films or overlayers of materials, normally metallic in the bulk case, can exhibit nonmetallic characters. Typically, these systems undergo a nonmetal-to-metal transition with changing film density, crystalline structure, or thickness. The purpose of this thesis is to identify this electronic phase transition and to investigate the corresponding fundamental mechanisms by studying the detailed electronic structure. In particular, I attempted to look at the evolution of electronic structure in films undergoing this transition. The core -exciton decay in the resonant photoemission was probed, from both theoretical and experimental points of view, to correlate with the change of film metallicity. Resonant photoemission, combining with normal photoemission, was found to be a sensitive and successful method to identify the overlayer nonmetal-metal transition, both from static and dynamic pictures. In most of this work, we concentrate on the studies of the evolution of electronic structure of ultra thin films of divalent metals, on different crystalline surfaces. The formation of new Hg electronic states arising from the electron orbital hybridization between adjacent adatoms, the formation of quantum well states in the overlayers, and the evolution of mercury shape resonance due to 5d to epsilonf excitation, all provide indications of when mercury overlayers undergo a nonmetal to metal transition. This transition has been found to be associated the changes in adatom coordination number. On both Cu(100) and W(110), the interactions between the Hg adatoms and the substrates are very weak and the surface bonding is more like covalent bonding at low coverages. The Hg overlayers on these two surfaces resembles free-standing layers, and the metallicity of the overlayers is largely determined by the nearest neighbor interactions of Hg adatoms. Comparing Hg overlayers on Ni(111) where there exists a nonmetal to metal transition caused by the structure phase transition

  8. First-principles study on core-level spectroscopy of arginine in gas and solid phases.

    PubMed

    Li, Hongbao; Hua, Weijie; Lin, Zijing; Luo, Yi

    2012-10-25

    First-principles simulations have been performed for near-edge X-ray absorption fine-structure (NEXAFS) spectra of neutral arginine at different K-edges in the solid phase as well as X-ray photoelectron spectra (XPS) of neutral, deprotonated, and protonated arginines in the gas phase. Influences of the intra- and intermolecular hydrogen bonds (HBs) and different charge states have been carefully examined to obtain useful structure-property relationships. Our calculations show a noticeable difference in the NEXAFS/XPS spectra of the canonical and zwitterionic species that can be used for unambiguously identifying the dominant form in the gas phase. It is found that the deprotonation/protonation always results in red/blue shifts of several electronvolts for the core binding energies (BEs) at all edges. The normal hydrogen bond Y-H···X (X, Y = N, O) can cause a blue/red shift of ca. 1 eV to the core BEs of the proton acceptor X/donor Y, while the weak C-H···Y hydrogen bond may also lead to a weak red shift (less than 1 eV) of the C1s BEs. Moreover, the influence of intermolecular interactions in the solid state is reflected as a broadening in the σ* region of the NEXAFS spectra at each edge, while in the π* region, these interactions lead to a strengthening or weakening of individual transitions from different carbons, although no evident visual change is found in the resolved total spectra. Our results provide a better understanding of the influences of the intra- and intermolecular forces on the electronic structure of arginine.

  9. Bypassing the energy-time uncertainty in time-resolved photoemission

    NASA Astrophysics Data System (ADS)

    Randi, Francesco; Fausti, Daniele; Eckstein, Martin

    2017-03-01

    The energy-time uncertainty is an intrinsic limit for time-resolved experiments imposing a tradeoff between the duration of the light pulses used in experiments and their frequency content. In standard time-resolved photoemission, this limitation maps directly onto a tradeoff between the time resolution of the experiment and the energy resolution that can be achieved on the electronic spectral function. Here we propose a protocol to disentangle the energy and time resolutions in photoemission. We demonstrate that dynamical information on all time scales can be retrieved from time-resolved photoemission experiments using suitably shaped light pulses of quantum or classical nature. As a paradigmatic example, we study the dynamical buildup of the Kondo peak, a narrow feature in the electronic response function arising from the screening of a magnetic impurity by the conduction electrons. After a quench, the electronic screening builds up on timescales shorter than the inverse width of the Kondo peak and we demonstrate that the proposed experimental scheme could be used to measure the intrinsic time scales of such electronic screening. The proposed approach provides an experimental framework to access the nonequilibrium response of collective electronic properties beyond the spectral uncertainty limit and will enable the direct measurement of phenomena such as excited Higgs modes and, possibly, the retarded interactions in superconducting systems.

  10. X-ray photo-emission and energy dispersive spectroscopy of HA coated titanium

    SciTech Connect

    Drummond, J.L.; Steinberg, A.D.; Krauss, A.R.

    1997-08-01

    The purpose of this study was to determine the chemical composition changes of hydroxyapatite (HA) coated titanium using surface analysis (x-ray photo-emission) and bulk analysis (energy dispersive spectroscopy). The specimens examined were controls, 30 minutes and 3 hours aged specimens in distilled water or 0.2M sodium phosphate buffer (pH 7.2) at room temperature. Each x-ray photo-emission cycle consisted of 3 scans followed by argon sputtering for 10 minutes for a total of usually 20 cycles, corresponding to a sampling depth of {approximately} 1500 {angstrom}. The energy dispersive spectroscopy analysis was on a 110 by 90 {mu}m area for 500 sec. Scanning electron microscopy examination showed crystal formation (3P{sub 2}O{sub 5}*2CAO*?H{sub 2}O by energy dispersive spectroscopy analysis) on the HA coating for the specimens aged in sodium phosphate buffer. The x-ray photo-emission results indicated the oxidation effect of water on the titanium (as TiO{sub 2}) and the effect of the buffer to increase the surface concentration of phosphorous. No differences in the chemical composition were observed by energy dispersive spectroscopy analysis. The crystal growth was only observed for the sodium phosphate buffer specimens and only on the HA surface.

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

    SciTech Connect

    Not Available

    1992-02-01

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

  12. Temperature-dependent internal photoemission probe for band parameters

    NASA Astrophysics Data System (ADS)

    Lao, Yan-Feng; Perera, A. G. Unil

    2012-11-01

    The temperature-dependent characteristic of band offsets at the heterojunction interface was studied by an internal photoemission (IPE) method. In contrast to the traditional Fowler method independent of the temperature (T), this method takes into account carrier thermalization and carrier/dopant-induced band-renormalization and band-tailing effects, and thus measures the band-offset parameter at different temperatures. Despite intensive studies in the past few decades, the T dependence of this key band parameter is still not well understood. Re-examining a p-type doped GaAs emitter/undoped AlxGa1-xAs barrier heterojunction system disclosed its previously ignored T dependency in the valence-band offset, with a variation up to ˜-10-4 eV/K in order to accommodate the difference in the T-dependent band gaps between GaAs and AlGaAs. Through determining the Fermi energy level (Ef), IPE is able to distinguish the impurity (IB) and valence bands (VB) of extrinsic semiconductors. One important example is to determine Ef of dilute magnetic semiconductors such as GaMnAs, and to understand whether it is in the IB or VB.

  13. Real-time observation of collective excitations in photoemission

    NASA Astrophysics Data System (ADS)

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

    2015-06-01

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

  14. Photoemission from Ag, Cu, and CsI

    SciTech Connect

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

    1992-06-01

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

  15. Gamma Spectra Resulting From the Annihilation of Positrons with Electrons in Single, Selected Core Levels of Cu, Ag and Au

    SciTech Connect

    Kim, S; Eshed, A; Goktepeli, S; Sterne, P A; Koymen, A R; Chen, W C; Weiss, A H

    2005-07-25

    The {gamma}-ray energy spectra due to positron annihilation with the 3p core-level of Cu, the 4p core-level of Ag, and 5p core level of Au were obtained separately from the total annihilation spectrum by measuring the energies of {gamma}-rays time coincident with Auger electrons emitted as a result of filling the core-hole left by annihilation. The results of these measurements are compared to the total annihilation spectra and with LDA based theoretical calculations. A comparison of area normalized momentum distributions with the individual cores extracted from the Doppler measurements shows good qualitative agreement, however, in all three spectra, the calculated values of the momentum density appears to fall below the measured values as the momentum increases. The discrepancies between theory and experiment are well outside the statistical uncertainties of the experiment and become more pronounced with increasing Z going down the column from Cu to Ag to Au. The comparison with the experimental results clearly indicates that the calculations are not predicting the correct ratio of high momentum to low momentum spectral weight and suggest the need to improve the treatment of many body electron-positron correlation effects in annihilation as they pertain to core levels.

  16. High energy resolution bandpass photon detector for inverse photoemission spectroscopy.

    PubMed

    Maniraj, M; D'Souza, S W; Nayak, J; Rai, Abhishek; Singh, Sanjay; Sekhar, B N Raja; Barman, S R

    2011-09-01

    We report a bandpass ultraviolet photon detector for inverse photoemission spectroscopy with energy resolution of 82 ± 2 meV. The detector (Sr(0.7)Ca(0.3)F(2)/acetone) consists of Sr(0.7)Ca(0.3)F(2) entrance window with energy transmission cutoff of 9.85 eV and acetone as detection gas with 9.7 eV photoionization threshold. The response function of the detector, measured using synchrotron radiation, has a nearly Gaussian shape. The n = 1 image potential state of Cu(100) and the Fermi edge of silver have been measured to demonstrate the improvement in resolution compared to the CaF(2)/acetone detector. To show the advantage of improved resolution of the Sr(0.7)Ca(0.3)F(2)/acetone detector, the metal to semiconductor transition in Sn has been studied. The pseudogap in the semiconducting phase of Sn could be identified, which is not possible with the CaF(2)/acetone detector because of its worse resolution. © 2011 American Institute of Physics

  17. Electron scattering, charge order, and pseudogap physics in La1.6–xNd0.4SrxCuO4: An angle-resolved photoemission spectroscopy study

    SciTech Connect

    Matt, C. E.; Fatuzzo, C. G.; Sassa, Y.; Mansson, M.; Fatale, S.; Bitetta, V.; Shi, X.; Pailhes, S.; Berntsen, M. H.; Kurosawa, T.; Oda, M.; Momono, N.; Lipscombe, O. J.; Hayden, S. M.; Yan, J. -Q.; Zhou, J. -S.; Goodenough, J. B.; Pyon, S.; Takayama, T.; Takagi, H.; Patthey, L.; Bendounan, A.; Razzoli, E.; Shi, M.; Plumb, N. C.; Radovic, M.; Grioni, M.; Mesot, J.; Tjernberg, O.; Chang, J.

    2015-10-27

    We report an angle-resolved photoemission study of the charge stripe ordered La1.6–xNd0.4SrxCuO4 (Nd-LSCO) system. A comparative and quantitative line-shape analysis is presented as the system evolves from the overdoped regime into the charge ordered phase. On the overdoped side (x = 0.20), a normal-state antinodal spectral gap opens upon cooling below 80 K. In this process, spectral weight is preserved but redistributed to larger energies. A correlation between this spectral gap and electron scattering is found. A different line shape is observed in the antinodal region of charge ordered Nd-LSCO x = 1/8. Significant low-energy spectral weight appears to be lost. As a result, these observations are discussed in terms of spectral-weight redistribution and gapping originating from charge stripe ordering.

  18. Surface metallization on Si(001) at elevated temperatures studied by angle-resolved photoemission spectroscopy and near-edge x-ray absorption fine structure: Effect of thermal adatoms

    NASA Astrophysics Data System (ADS)

    Jeon, C.; Hwang, C. C.; Kang, T.-H.; Kim, K.-J.; Kim, B.; Kim, Y.; Noh, D. Y.; Park, C.-Y.

    2009-10-01

    We report the metallization of the Si(001)2×1 surface at elevated temperatures using angle-resolved photoemission spectroscopy (ARPES) and near-edge x-ray absorption fine structure (NEXAFS). A metallic state (Sm) over the EF , which corresponds to the empty (π∗) state of the 2×1 asymmetric dimer model, increases in the ARPES spectra, while the π∗ state decreases in the NEXAFS spectra with increasing temperature. Since Sm is observed even at 400 K, the structural phase transition at ˜900K [Phys. Rev. Lett. 91, 126103 (2003); Phys. Rev. Lett. 77, 3869 (1996)] is not related to the metallization. Thermal excitation seems to be too small to detect in ARPES in initial stage of the metallization and cannot account for the different behavior of Sm and the filled surface state of the up-dimer upon oxidation. We suggest, based on the existence of Sm even at 400 K and the oxidation behavior, that the metallization is attributed to thermal adatoms.

  19. Soft X-ray absorption and photoemission spectroscopy study of semiconductor oxide nanoparticles for dye-sensitized solar cell: ZnSnO3 and Zn2SnO4

    NASA Astrophysics Data System (ADS)

    Kim, Hyun Woo; Lee, Eunsook; Kim, D. H.; Seong, Seungho; Moon, Soo Yeon; Shin, Yu-Ju; Baik, J.; Shin, H. J.; Kang, J.-S.

    2016-06-01

    The electronic structures of the Zn-stannate nanoparticles of ZnSnO3 and Zn2SnO4, which are the potential nano-structured semiconductor oxides for a dye sensitized solar cell (DSSC), have been investigated by employing photoemission spectroscopy (PES) and soft X-ray absorption spectroscopy (XAS), and compared to those of reference materials. The divalent and tetravalent valence states of Zn2+ and Sn4+ ions are confirmed experimentally. The energy levels of both the valence-band and conduction-band edges are determined experimentally. The top of the valence band in PES is slightly higher in Zn2SnO4 than in ZnSnO3. The onset energies of the O 1s XAS spectra of the Zn-stannates are found to be similar to each other, but higher than that of TiO2. The O 1 s XAS spectrum of ZnSnO3 exhibits the higher unoccupied density of states near the bottom of the conduction band than those of Zn2SnO4, SnO2 and ZnO, reflecting the larger number of holes in the Zn 3 d bands of ZnSnO3. Hence, the easier electron transfer is expected from the LUMO (lowest unoccupied molecular orbital) of a dye molecule to the conduction band of ZnSnO3 nanoparticles on the transparent conductive electrode of a DSSC.

  20. Photoemission and x-ray absorption studies of the isostructural to Fe-based superconductors diluted magnetic semiconductor Ba1 -xKx(Zn1 -yMny)2As2

    NASA Astrophysics Data System (ADS)

    Suzuki, H.; Zhao, K.; Shibata, G.; Takahashi, Y.; Sakamoto, S.; Yoshimatsu, K.; Chen, B. J.; Kumigashira, H.; Chang, F.-H.; Lin, H.-J.; Huang, D. J.; Chen, C. T.; Gu, Bo; Maekawa, S.; Uemura, Y. J.; Jin, C. Q.; Fujimori, A.

    2015-04-01

    The electronic and magnetic properties of a new diluted magnetic semiconductor (DMS) Ba1 -xKx (Zn1 -yMny )2As2 , which is isostructural to so-called 122-type Fe-based superconductors, are investigated by x-ray absorption spectroscopy (XAS) and resonance photoemission spectroscopy (RPES). Mn L2 ,3-edge XAS indicates that the doped Mn atoms have a valence 2+ and strongly hybridize with the 4 p orbitals of the tetrahedrally coordinating As ligands. The Mn 3 d partial density of states obtained by RPES shows a peak around 4 eV and is relatively high between 0 and 2 eV below the Fermi level (EF) with little contribution at EF, similar to that of the archetypal DMS Ga1 -xMnxAs . This energy level creates a d5 electron configuration with S =5 /2 local magnetic moments at the Mn atoms. Hole carriers induced by K substitution for Ba atoms go into the top of the As 4 p valence band and are weakly bound to the Mn local spins. The ferromagnetic correlation between the local spins mediated by the hole carriers induces ferromagnetism in Ba1 -xKx (Zn1 -yMny )2As2 .

  1. Photoemission of Single Dust Grains for Heliospheric Conditions

    NASA Technical Reports Server (NTRS)

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

    2000-01-01

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

  2. Photoemission of Single Dust Grains for Heliospheric Conditions

    NASA Technical Reports Server (NTRS)

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

    2000-01-01

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

  3. A Monte Carlo photocurrent/photoemission computer program

    NASA Technical Reports Server (NTRS)

    Chadsey, W. L.; Ragona, C.

    1972-01-01

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

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

    NASA Astrophysics Data System (ADS)

    Mankey, Gary Jay

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

  5. Exploring the Electronic Structure and Chemical Homogeneity of Individual Bi2Te3 Nanowires by Nano-Angle-Resolved Photoemission Spectroscopy.

    PubMed

    Krieg, Janina; Chen, Chaoyu; Avila, José; Zhang, Zeying; Sigle, Wilfried; Zhang, Hongbin; Trautmann, Christina; Asensio, Maria Carmen; Toimil-Molares, Maria Eugenia

    2016-07-13

    Due to their high surface-to-volume ratio, cylindrical Bi2Te3 nanowires are employed as model systems to investigate the chemistry and the unique conductive surface states of topological insulator nanomaterials. We report on nanoangle-resolved photoemission spectroscopy (nano-ARPES) characterization of individual cylindrical Bi2Te3 nanowires with a diameter of 100 nm. The nanowires are synthesized by electrochemical deposition inside channels of ion-track etched polymer membranes. Core level spectra recorded with submicron resolution indicate a homogeneous chemical composition along individual nanowires, while nano-ARPES intensity maps reveal the valence band structure at the single nanowire level. First-principles electronic structure calculations for chosen crystallographic orientations are in good agreement with those revealed by nano-ARPES. The successful application of nano-ARPES on single one-dimensional nanostructures constitutes a new avenue to achieve a better understanding of the electronic structure of topological insulator nanomaterials.

  6. The S(2p) Core Level Binding Energies for Alternative Adsorption Sites and the Example of Thiol Self Assembly

    NASA Astrophysics Data System (ADS)

    Jia, Juanjuan; Esaulov, Vladimir; Kara, Abdelkader

    2015-03-01

    Results of an investigation of the characteristics of thiol SAMs obtained by vacuum evaporative adsorption, useful for reactive substrates, are presented along with core level binding energy (BE) calculations. Thiol ended SAMs of 1,4-benzenedimethanethiol (BDMT) are obtained by evaporation on Au. They display an unconventional BE structure at about 161 eV, which is close to a known BE of an S atom on Au. S(2p) core level BE calculations for molecules chemisorbed on hollow, bridge and atop sites are reported and suggest that the 161 eV peak is indeed due to an alternative adsorption site, which can be associated to an atop configuration. This must therefore not be confused with atomic sulfur and dissociation processes with S-C bond scission. Work partially supported by the U.S. Department of Energy Basic Energy Science under Contract No DE-FG02-11ER16243.

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

    SciTech Connect

    Lindle, D.W.

    1983-12-01

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

  8. Inverse-photoemission spectroscopy of GaSe and InSe

    NASA Astrophysics Data System (ADS)

    Sporken, R.; Hafsi, R.; Coletti, F.; Debever, J. M.; Thiry, P. A.; Chevy, A.

    1994-04-01

    The lamellar semiconductors GaSe and InSe have been studied with k-resolved inverse-photoemission spectroscopy along two major symmetry directions (Γ¯ K¯ and Γ¯ M¯) of the surface Brillouin zone. Three bands with well-resolved features are observed from which the dispersion of the conduction bands can be determined with good precision. The minimum of the conduction band is found at M¯ in GaSe and at Γ¯ in InSe. These results are compared with theoretical studies using pseudopotential and tight-binding calculations.

  9. Core-level spectra and binding energies of transition metal nitrides by non-destructive x-ray photoelectron spectroscopy through capping layers

    NASA Astrophysics Data System (ADS)

    Greczynski, G.; Primetzhofer, D.; Lu, J.; Hultman, L.

    2017-02-01

    capped TMN films, thus characteristic of a native surface, show a systematic trend, which contrasts with the large BE spread of literature "reference" values. Hence, non-destructive core level XPS employing capping layers provides an opportunity to obtain high-quality spectra, characteristic of virgin in situ grown and analyzed TMN films, although with larger versatility, and allows for extracting core level BE values that are more reliable than those obtained from sputter-cleaned N-deficient surfaces. Results presented here, recorded from a consistent set of binary TMN's grown under the same conditions and analyzed in the same instrument, provide a useful reference for future XPS studies of multinary materials systems allowing for true deconvolution of complex core level spectra.

  10. Observation of the Quantum Well Interference in Magnetic Nanostructures by Photoemission

    SciTech Connect

    Kawakami, R.K.; Escorcia-Aparicio, E.J.; Choi, H.J.; Qiu, Z.Q.; Rotenberg, E.; Smith, N.V.; Cummins, T.R.; Tobin, J.G.

    1998-02-01

    The Cu/Co/Ni/Co(100) system was investigated by photoemission to study the interference between the Cu quantum well and the Ni layer. By varying their separation, we found that the density of states of the Cu quantum well states were biperiodically modulated. This result provides clear evidence for the quantum interference between two quantum wells in magnetic nanostructures. The biperiodicity was identified to correspond to the two Fermi vectors of the Co minority energy bands. {copyright} {ital 1998} {ital The American Physical Society}

  11. Optical communication with two-photon coherent states. III - Quantum measurements realizable with photoemissive detectors

    NASA Technical Reports Server (NTRS)

    Yuen, H. P.; Shapiro, J. H.

    1980-01-01

    Homodyne detection is shown to achieve the same signal-to-noise ratio as the quantum field quadrature measurement, thus providing a receiver which realizes linear modulation TCS performance gain. The full equivalence of homodyne detection and single-quadrature field measurement is established. A heterodyne configuration which uses a TCS image-band oscillator in addition to the usual coherent state local oscillator is studied. Results are obtained by means of a representation theorem which shows that photoemissive detection realizes the photon flux density measurement.

  12. Induced photoemission from driven nonadiabatic dynamics in an avoided crossing system

    SciTech Connect

    Arasaki, Yasuki; Mizuno, Yuta; Takatsuka, Kazuo; Scheit, Simona

    2014-12-21

    When vibrational dynamics on an ionic state (large dipole moment) is coupled to that on a neutral state (small dipole moment) such as at an avoided crossing in the alkali halide system, the population transfer between the states cause oscillation of the molecular dipole, leading to dipole emission. Such dynamics may be driven by an external field. We study how the coupled wavepacket dynamics is affected by the parameters (intensity, frequency) of the driving field with the aim of making use of the photoemission as an alternative detection scheme of femtosecond and subfemtosecond vibrational and electronic dynamics or as a characteristic optical source.

  13. An innovative Yb-based ultrafast deep ultraviolet source for time-resolved photoemission experiments.

    PubMed

    Boschini, F; Hedayat, H; Dallera, C; Farinello, P; Manzoni, C; Magrez, A; Berger, H; Cerullo, G; Carpene, E

    2014-12-01

    Time- and angle-resolved photoemission spectroscopy is a powerful technique to study ultrafast electronic dynamics in solids. Here, an innovative optical setup based on a 100-kHz Yb laser source is presented. Exploiting non-collinear optical parametric amplification and sum-frequency generation, ultrashort pump (hν = 1.82 eV) and ultraviolet probe (hν = 6.05 eV) pulses are generated. Overall temporal and instrumental energy resolutions of, respectively, 85 fs and 50 meV are obtained. Time- and angle-resolved measurements on BiTeI semiconductor are presented to show the capabilities of the setup.

  14. An innovative Yb-based ultrafast deep ultraviolet source for time-resolved photoemission experiments

    SciTech Connect

    Boschini, F.; Hedayat, H.; Dallera, C.; Cerullo, G.; Farinello, P.; Manzoni, C.; Carpene, E.; Magrez, A.; Berger, H.

    2014-12-15

    Time- and angle-resolved photoemission spectroscopy is a powerful technique to study ultrafast electronic dynamics in solids. Here, an innovative optical setup based on a 100-kHz Yb laser source is presented. Exploiting non-collinear optical parametric amplification and sum-frequency generation, ultrashort pump (hν = 1.82 eV) and ultraviolet probe (hν = 6.05 eV) pulses are generated. Overall temporal and instrumental energy resolutions of, respectively, 85 fs and 50 meV are obtained. Time- and angle-resolved measurements on BiTeI semiconductor are presented to show the capabilities of the setup.

  15. Two-photon Photo-emission of Ultrathin Film PTCDA Morphologies on Ag(111)

    SciTech Connect

    Yang, Aram; Yang, Aram; Shipman, Steven T.; Garrett-Roe, Sean; Johns, James; Strader, Matt; Szymanski, Paul; Muller, Eric; Harris, Charles B.

    2007-11-29

    Morphology- and layer-dependent electronic structure and dynamics at the PTCDA/Ag(111) interface have been studied with angle-resolved two-photon photoemission. In Stranski-Krastanov growth modes, the exposed wetting layer inhibited the evolution of the vacuum level and valence band to bulk values. For layer-by-layer growth, we observed the transition of electron structure from monolayer to bulk values within eight monolayers. Effective masses and lifetimes of the conduction band and the n=1 image potential state were measured to be larger for disordered layers. The effective mass was interpreted in the context of charge mobility measurements.

  16. Bogoliubov Angle, Particle-Hole Mixture and Angular Resolved Photoemission Spectroscopy in Superconductors

    SciTech Connect

    Balatsky, A.

    2010-05-04

    Superconducting excitations - Bogoliubov quasiparticles - are the quantum mechanical mixture of negatively charged electron (-e) and positively charged hole (+e). We propose a new observable for Angular Resolved Photoemission Spectroscopy (ARPES) studies that is the manifestation of the particle-hole entanglement of the superconducting quasiparticles. We call this observable a Bogoliubov angle. This angle measures the relative weight of particle and hole amplitude in the superconducting (Bogoliubov) quasiparticle. We show how this quantity can be measured by comparing the ratio of spectral intensities at positive and negative energies.

  17. Photoemission from Ag, Cu, and CsI

    SciTech Connect

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

    1992-06-01

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

  18. Anharmonic surface vibrations in photoemission from alkali metals

    SciTech Connect

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

    1994-01-15

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

  19. The origin of Monochromatic Photoemission Peak in Diamondod Monolayer

    SciTech Connect

    Clay, W. A.

    2010-02-24

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

  20. Photoemission Experiments for Charge Characteristics of Individual Dust Grains

    NASA Technical Reports Server (NTRS)

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

    2001-01-01

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

  1. Photoemission Experiments for Charge Characteristics of Individual Dust Grains

    NASA Technical Reports Server (NTRS)

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

    2001-01-01

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

  2. Chemical and reconstruction-induced surface core-level shifts: H on low-index W surfaces

    SciTech Connect

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

    1990-07-09

    The H-induced shift of the surface-atom core-level binding energy in W(110) is shown to arise from two distinct effects, one chemical in nature and the other structural. The structural shift supports a recently proposed (1{ital p}{times}1) reconstruction that turns on at {similar to}0.5 monolayer coverage. These new findings are used to provide a self-consistent interpretation of previously reported shifts from H-covered W(111) and W(100) surfaces.

  3. Probing core-electron orbitals by scanning transmission electron microscopy and measuring the delocalization of core-level excitations

    NASA Astrophysics Data System (ADS)

    Jeong, Jong Seok; Odlyzko, Michael L.; Xu, Peng; Jalan, Bharat; Mkhoyan, K. Andre

    2016-04-01

    By recording low-noise energy-dispersive x-ray spectroscopy maps from crystalline specimens using aberration-corrected scanning transmission electron microscopy, it is possible to probe core-level electron orbitals in real space. Both the 1 s and 2 p orbitals of Sr and Ti atoms in SrTi O3 are probed, and their projected excitation potentials are determined. This paper also demonstrates experimental measurement of the electronic excitation impact parameter and the delocalization of an excitation due to Coulombic beam-orbital interaction.

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

    NASA Astrophysics Data System (ADS)

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

    2016-06-01

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

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

    PubMed

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

    2014-05-09

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

  6. Assessing the ability of DFT methods to describe static electron correlation effects: CO core level binding energies as a representative case

    NASA Astrophysics Data System (ADS)

    Pueyo Bellafont, Noèlia; Bagus, Paul S.; Sousa, Carmen; Illas, Francesc

    2017-07-01

    We use a total energy difference approach to explore the ability of various density functional theory based methods in accounting for the differential effect of static electron correlation on the C(1s) and O(1s) core level binding energies (BEs) of the CO molecule. In particular, we focus on the magnitude of the errors of the computed C(1s) and O(1s) BEs and on their relative difference as compared to experiment and to previous results from explicitly correlated wave functions. Results show that the different exchange-correlation functionals studied here behave rather erratically and a considerable number of them lead to large errors in the BEs and/or the BE shifts. Nevertheless, the TPSS functional, its TPSSm and RevTPSS derivations, and its corresponding hybrid counterpart, TPSSh, perform better than average and provide BEs and BE shifts in good agreement with experiment.

  7. Interface states and internal photoemission in p-type GaAs metal-oxide-semiconductor surfaces

    NASA Technical Reports Server (NTRS)

    Kashkarov, P. K.; Kazior, T. E.; Lagowski, J.; Gatos, H. C.

    1983-01-01

    An interface photodischarge study of p-type GaAs metal-oxide-semiconductor (MOS) structures revealed the presence of deep interface states and shallow donors and acceptors which were previously observed in n-type GaAs MOS through sub-band-gap photoionization transitions. For higher photon energies, internal photoemission was observed, i.e., injection of electrons to the conduction band of the oxide from either the metal (Au) or from the GaAs valence band; the threshold energies were found to be 3.25 and 3.7 + or - 0.1 eV, respectively. The measured photoemission current exhibited a thermal activation energy of about 0.06 eV, which is consistent with a hopping mechanism of electron transport in the oxide.

  8. Interface states and internal photoemission in p-type GaAs metal-oxide-semiconductor surfaces

    NASA Technical Reports Server (NTRS)

    Kashkarov, P. K.; Kazior, T. E.; Lagowski, J.; Gatos, H. C.

    1983-01-01

    An interface photodischarge study of p-type GaAs metal-oxide-semiconductor (MOS) structures revealed the presence of deep interface states and shallow donors and acceptors which were previously observed in n-type GaAs MOS through sub-band-gap photoionization transitions. For higher photon energies, internal photoemission was observed, i.e., injection of electrons to the conduction band of the oxide from either the metal (Au) or from the GaAs valence band; the threshold energies were found to be 3.25 and 3.7 + or - 0.1 eV, respectively. The measured photoemission current exhibited a thermal activation energy of about 0.06 eV, which is consistent with a hopping mechanism of electron transport in the oxide.

  9. High resolution photoemission experiments on copper oxide superconductors

    NASA Astrophysics Data System (ADS)

    Rameau, Jonathan David

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

  10. Electronic structure of Ce2RhIn8: A two-dimensional heavy-fermion system studied by angle-resolved photoemission spectroscopy

    SciTech Connect

    Jiang, Rui; Mou, Daixing; Liu, Chang; Zhao, Xin; Yao, Yongxin; Ryu, Hyejin; Petrovic, C.; Ho, Kai -Ming; Kaminski, Adam

    2015-04-01

    In this study, we use angle-resolved photoemission spectroscopy (ARPES) to study the two-dimensional (2D) heavy-fermion superconductor, Ce2 RhIn8. The Fermi surface is rather complicated and consists of several hole and electron pockets with one of the sheets displaying strong nesting properties with a q vector of (0.32, 0.32) π/a. We do not observe kz dispersion of the Fermi sheets, which is consistent with the expected 2D character of the electronic structure. Comparison of the ARPES data to band-structure calculations suggests that a localized picture of the f electrons works best. While there is some agreement in the overall band dispersion and location of the Fermi sheets, the model does not reproduce all observed bands and is not completely accurate for those it does. Our data paves the way for improving the band-structure calculations and the general understanding of the transport and thermodynamical properties of this material.

  11. Li induced effects in the core level and π-band electronic structure of graphene grown on C-face SiC

    SciTech Connect

    Johansson, Leif I. Xia, Chao; Virojanadara, Chariya

    2015-11-15

    Studies of the effects induced in the electronic structure after Li deposition, and subsequent heating, on graphene samples prepared on C-face SiC are reported. The as prepared graphene samples are essentially undoped, but after Li deposition, the Dirac point shifts down to 1.2 eV below the Fermi level due to electron doping. The shape of the C 1s level also indicates a doping concentration of around 10{sup 14 }cm{sup −2} after Li deposition, when compared with recent calculated results of core level spectra of graphene. The C 1s, Si 2p, and Li 1s core level results show little intercalation directly after deposition but that most of the Li has intercalated after heating at 280 °C. Heating at higher temperatures leads to desorption of Li from the sample, and at 1030 °C, Li can no longer be detected on the sample. The single π-band observable from multilayer C-face graphene samples in conventional angle resolved photoelectron spectroscopy is reasonably sharp both on the initially prepared sample and after Li deposition. After heating at 280 °C, the π-band appears more diffuse and possibly split. The Dirac point becomes located at 0.4 eV below the Fermi level, which indicates occurrence of a significant reduction in the electron doping concentration. Constant energy photoelectron distribution patterns extracted from the as prepared graphene C-face sample and also after Li deposition and heating at 280 °C look very similar to earlier calculated distribution patterns for monolayer graphene.

  12. sp2/sp3 hybridization ratio in amorphous carbon from C 1s core-level shifts: X-ray photoelectron spectroscopy and first-principles calculation

    NASA Astrophysics Data System (ADS)

    Haerle, Rainer; Riedo, Elisa; Pasquarello, Alfredo; Baldereschi, Alfonso

    2002-01-01

    Using a combined experimental and theoretical approach, we address C 1s core-level shifts in amorphous carbon. Experimental results are obtained by x-ray photoelectron spectroscopy (XPS) and electron-energy-loss spectroscopy (EELS) on thin-film samples of different atomic density, obtained by a pulsed-laser deposition growth process. The XPS spectra are deconvoluted into two contributions, which are attributed to sp2- and sp3-hybridized atoms, respectively, separated by 0.9 eV, independent of atomic density. The sp3 hybridization content extracted from XPS is consistent with the atomic density derived from the plasmon energy in the EELS spectrum. In our theoretical study, we generate several periodic model structures of amorphous carbon of different densities applying two schemes of increasing accuracy in sequence. We first use a molecular-dynamics approach, based on an environmental-dependent tight-binding Hamiltonian to quench the systems from the liquid phase. The final model structures are then obtained by further atomic relaxation using a first-principles pseudopotential plane-wave approach within density-functional theory. Within the latter framework, we also calculate carbon 1s core-level shifts for our disordered model structures. We find that the shifts associated to threefold- and fourfold- coordinated carbon atoms give rise to two distinct peaks separated by about 1.0 eV, independent of density, in close agreement with experimental observations. This provides strong support for decomposing the XPS spectra into two peaks resulting from sp2- and sp3-hybridized atoms. Core-hole relaxations effects account for about 30% of the calculated shifts.

  13. Recent Photoemission Results for the Electron-Doped Superconductors

    NASA Astrophysics Data System (ADS)

    Matsui, Hiroaki

    2006-03-01

    Recent improvement in the energy and angular resolution of angle-resolved photoemission spectroscopy (ARPES) enabled us to investigate the detailed electronic structure in electron-doped high-temperature superconductors (HTSC), which have a relatively smaller energy-scale of superconductivity compared to hole-doped systems. In this talk, we report our recent ARPES results1,2 focusing on the many-body interaction and the superconducting-gap symmetry in electron-doped HTSC. We have performed high-resolution ARPES measurements on Nd2-xCexCuO4 and observed that the quasiparticle (QP) effective mass around oπ sg&_slash;p is strongly enhanced due to opening of an antiferromagnetic (AF) pseudogap. Both the QP effective mass and the AF pseudogap are strongly anisotropic with the largest magnitude near the hot spot, which is defined as an intersection point of the Fermi surface and the AF zone boundary. Temperature-dependent measurements have revealed that the AF pseudogap survives at temperatures much higher than TN (N'{e}el temperature), possibly due to the short-range AF correlation remaining even above TN. The AF pseudogap gradually decreases with doping and is abruptly filled up near the boundary between the AF and superconducting phases. To study the anisotropy of superconducting gap in electron-doped HTSC, we have performed high-resolution ARPES on Pr0.89LaCe0.11CuO4. We observed that the momentum dependence of superconducting gap is basically consistent with the dx2-y2-wave symmetry, but it obviously deviates from the simple dx2-y2 gap function. The maximum superconducting gap is not observed at the zone boundary as expected from the simple dx2-y2 gap symmetry, but it is located around the hot spot where electrons are thought to be strongly coupled to the AF spin fluctuation. All these ARPES results suggest that the electronic stricture and the superconducting behavior are strongly dominated by the AF interaction in electron-doped HTSC. 1) H. Matsui, K. Terashima

  14. Molecular Frame Photoemission: Probe of the Photoionization Dynamics for Molecules in the Gas Phase

    NASA Astrophysics Data System (ADS)

    Dowek, D.; Picard, Y. J.; Billaud, P.; Elkharrat, C.; Houver, J. C.

    2009-04-01

    Molecular frame photoemission is a very sensitive probe of the photoionization (PI) dynamics of molecules. This paper reports a comparative study of non-resonant and resonant photoionization of D2 induced by VUV circularly polarized synchrotron radiation at SOLEIL at the level of the molecular frame photoelectron angular distributions (MFPADs). We use the vector correlation method which combines imaging and time-of-flight resolved electron-ion coincidence techniques, and a generalized formalism for the expression of the I(χ, θe, varphie) MFPADs, where χ is the orientation of the molecular axis with respect to the light quantization axis and (θe, varphie) the electron emission direction in the molecular frame. Selected MFPADs for a molecule aligned parallel or perpendicular to linearly polarized light, or perpendicular to the propagation axis of circularly polarized light, are presented for dissociative photoionization (DPI) of D2 at two photon excitation energies, hν = 19 eV, where direct PI is the only channel opened, and hν = 32.5 eV, i.e. in the region involving resonant excitation of Q1 and Q2 doubly excited state series. We discuss in particular the properties of the circular dichroism characterizing photoemission in the molecular frame for direct and resonant PI. In the latter case, a remarkable behavior is observed which may be attributed to the interference occurring between undistinguishable autoionization decay channels.

  15. Angle resolved photoemission spectroscopy reveals spin charge separation in metallic MoSe2 grain boundary

    NASA Astrophysics Data System (ADS)

    Ma, Yujing; Diaz, Horacio Coy; Avila, José; Chen, Chaoyu; Kalappattil, Vijaysankar; Das, Raja; Phan, Manh-Huong; Čadež, Tilen; Carmelo, José M. P.; Asensio, Maria C.; Batzill, Matthias

    2017-02-01

    Material line defects are one-dimensional structures but the search and proof of electron behaviour consistent with the reduced dimension of such defects has been so far unsuccessful. Here we show using angle resolved photoemission spectroscopy that twin-grain boundaries in the layered semiconductor MoSe2 exhibit parabolic metallic bands. The one-dimensional nature is evident from a charge density wave transition, whose periodicity is given by kF/π, consistent with scanning tunnelling microscopy and angle resolved photoemission measurements. Most importantly, we provide evidence for spin- and charge-separation, the hallmark of one-dimensional quantum liquids. Our studies show that the spectral line splits into distinctive spinon and holon excitations whose dispersions exactly follow the energy-momentum dependence calculated by a Hubbard model with suitable finite-range interactions. Our results also imply that quantum wires and junctions can be isolated in line defects of other transition metal dichalcogenides, which may enable quantum transport measurements and devices.

  16. Angle resolved photoemission spectroscopy reveals spin charge separation in metallic MoSe2 grain boundary

    PubMed Central

    Ma, Yujing; Diaz, Horacio Coy; Avila, José; Chen, Chaoyu; Kalappattil, Vijaysankar; Das, Raja; Phan, Manh-Huong; Čadež, Tilen; Carmelo, José M. P.; Asensio, Maria C.; Batzill, Matthias

    2017-01-01

    Material line defects are one-dimensional structures but the search and proof of electron behaviour consistent with the reduced dimension of such defects has been so far unsuccessful. Here we show using angle resolved photoemission spectroscopy that twin-grain boundaries in the layered semiconductor MoSe2 exhibit parabolic metallic bands. The one-dimensional nature is evident from a charge density wave transition, whose periodicity is given by kF/π, consistent with scanning tunnelling microscopy and angle resolved photoemission measurements. Most importantly, we provide evidence for spin- and charge-separation, the hallmark of one-dimensional quantum liquids. Our studies show that the spectral line splits into distinctive spinon and holon excitations whose dispersions exactly follow the energy-momentum dependence calculated by a Hubbard model with suitable finite-range interactions. Our results also imply that quantum wires and junctions can be isolated in line defects of other transition metal dichalcogenides, which may enable quantum transport measurements and devices. PMID:28165445

  17. Probing the electronic and spintronic properties of buried interfaces by extremely low energy photoemission spectroscopy

    NASA Astrophysics Data System (ADS)

    Fetzer, Roman; Stadtmüller, Benjamin; Ohdaira, Yusuke; Naganuma, Hiroshi; Oogane, Mikihiko; Ando, Yasuo; Taira, Tomoyuki; Uemura, Tetsuya; Yamamoto, Masafumi; Aeschlimann, Martin; Cinchetti, Mirko

    2015-02-01

    Ultraviolet photoemission spectroscopy (UPS) is a powerful tool to study the electronic spin and symmetry features at both surfaces and interfaces to ultrathin top layers. However, the very low mean free path of the photoelectrons usually prevents a direct access to the properties of buried interfaces. The latter are of particular interest since they crucially influence the performance of spintronic devices like magnetic tunnel junctions (MTJs). Here, we introduce spin-resolved extremely low energy photoemission spectroscopy (ELEPS) to provide a powerful way for overcoming this limitation. We apply ELEPS to the interface formed between the half-metallic Heusler compound Co2MnSi and the insulator MgO, prepared as in state-of-the-art Co2MnSi/MgO-based MTJs. The high accordance between the spintronic fingerprint of the free Co2MnSi surface and the Co2MnSi/MgO interface buried below up to 4 nm MgO provides clear evidence for the high interface sensitivity of ELEPS to buried interfaces. Although the absolute values of the interface spin polarization are well below 100%, the now accessible spin- and symmetry-resolved wave functions are in line with the predicted existence of non-collinear spin moments at the Co2MnSi/MgO interface, one of the mechanisms evoked to explain the controversially discussed performance loss of Heusler-based MTJs at room temperature.

  18. Rotatable spin-polarized electron source for inverse-photoemission experiments

    SciTech Connect

    Stolwijk, S. D. Wortelen, H.; Schmidt, A. B.; Donath, M.

    2014-01-15

    We present a ROtatable Spin-polarized Electron source (ROSE) for the use in spin- and angle-resolved inverse-photoemission (SR-IPE) experiments. A key feature of the ROSE is a variable direction of the transversal electron beam polarization. As a result, the inverse-photoemission experiment becomes sensitive to two orthogonal in-plane polarization directions, and, for nonnormal electron incidence, to the out-of-plane polarization component. We characterize the ROSE and test its performance on the basis of SR-IPE experiments. Measurements on magnetized Ni films on W(110) serve as a reference to demonstrate the variable spin sensitivity. Moreover, investigations of the unoccupied spin-dependent surface electronic structure of Tl/Si(111) highlight the capability to analyze complex phenomena like spin rotations in momentum space. Essentially, the ROSE opens the way to further studies on complex spin-dependent effects in the field of surface magnetism and spin-orbit interaction at surfaces.

  19. Probing the electronic and spintronic properties of buried interfaces by extremely low energy photoemission spectroscopy

    PubMed Central

    Fetzer, Roman; Stadtmüller, Benjamin; Ohdaira, Yusuke; Naganuma, Hiroshi; Oogane, Mikihiko; Ando, Yasuo; Taira, Tomoyuki; Uemura, Tetsuya; Yamamoto, Masafumi; Aeschlimann, Martin; Cinchetti, Mirko

    2015-01-01

    Ultraviolet photoemission spectroscopy (UPS) is a powerful tool to study the electronic spin and symmetry features at both surfaces and interfaces to ultrathin top layers. However, the very low mean free path of the photoelectrons usually prevents a direct access to the properties of buried interfaces. The latter are of particular interest since they crucially influence the performance of spintronic devices like magnetic tunnel junctions (MTJs). Here, we introduce spin-resolved extremely low energy photoemission spectroscopy (ELEPS) to provide a powerful way for overcoming this limitation. We apply ELEPS to the interface formed between the half-metallic Heusler compound Co2MnSi and the insulator MgO, prepared as in state-of-the-art Co2MnSi/MgO-based MTJs. The high accordance between the spintronic fingerprint of the free Co2MnSi surface and the Co2MnSi/MgO interface buried below up to 4 nm MgO provides clear evidence for the high interface sensitivity of ELEPS to buried interfaces. Although the absolute values of the interface spin polarization are well below 100%, the now accessible spin- and symmetry-resolved wave functions are in line with the predicted existence of non-collinear spin moments at the Co2MnSi/MgO interface, one of the mechanisms evoked to explain the controversially discussed performance loss of Heusler-based MTJs at room temperature. PMID:25702631

  20. Probing the electronic and spintronic properties of buried interfaces by extremely low energy photoemission spectroscopy.

    PubMed

    Fetzer, Roman; Stadtmüller, Benjamin; Ohdaira, Yusuke; Naganuma, Hiroshi; Oogane, Mikihiko; Ando, Yasuo; Taira, Tomoyuki; Uemura, Tetsuya; Yamamoto, Masafumi; Aeschlimann, Martin; Cinchetti, Mirko

    2015-02-23

    Ultraviolet photoemission spectroscopy (UPS) is a powerful tool to study the electronic spin and symmetry features at both surfaces and interfaces to ultrathin top layers. However, the very low mean free path of the photoelectrons usually prevents a direct access to the properties of buried interfaces. The latter are of particular interest since they crucially influence the performance of spintronic devices like magnetic tunnel junctions (MTJs). Here, we introduce spin-resolved extremely low energy photoemission spectroscopy (ELEPS) to provide a powerful way for overcoming this limitation. We apply ELEPS to the interface formed between the half-metallic Heusler compound Co2MnSi and the insulator MgO, prepared as in state-of-the-art Co2MnSi/MgO-based MTJs. The high accordance between the spintronic fingerprint of the free Co2MnSi surface and the Co2MnSi/MgO interface buried below up to 4 nm MgO provides clear evidence for the high interface sensitivity of ELEPS to buried interfaces. Although the absolute values of the interface spin polarization are well below 100%, the now accessible spin- and symmetry-resolved wave functions are in line with the predicted existence of non-collinear spin moments at the Co2MnSi/MgO interface, one of the mechanisms evoked to explain the controversially discussed performance loss of Heusler-based MTJs at room temperature.

  1. Modeling Photoemission of Spin-Polarized Electrons from NEA GaAs Photocathodes

    NASA Astrophysics Data System (ADS)

    Chubenko, Oksana; Afanasev, Andrei

    2015-04-01

    At present, photoemission from strained GaAs activated to negative electron affinity (NEA) is a main source of polarized electrons for modern nuclear-physics and particle-physics facilities. Future experiments at advanced electron colliders will require high-current polarized electron beams, which could provide high polarization and luminosity. This sets new requirements for photocathodes in terms of high quantum efficiency (QE) (>>1%) and spin polarization (~85%). Detailed simulation and modeling of physics processes in photocathodes is important for optimization of their design in order to achieve high QE and reduce depolarization mechanisms. The purpose of the present work was to develop a semi-phenomenological model, which could predict photoemission and electron spin polarization from NEA GaAs photocathodes. Effect of the presence of nanostructures was also studied. Simulation results were compared to the experimental results obtained by the polarized electron source group at Thomas Jefferson National Accelerator Facility. Work supported by Thomas Jefferson Accelerator Facility and George Washington University.

  2. Two-photon photoemission from image-potential states of epitaxial graphene

    NASA Astrophysics Data System (ADS)

    Gugel, Dieter; Niesner, Daniel; Eickhoff, Christian; Wagner, Stefanie; Weinelt, Martin; Fauster, Thomas

    2015-12-01

    Using angle- and time-resolved two-photon photoelectron spectroscopy we observe a single series of image-potential states of graphene on monolayer (MLG) and bilayer graphene (BLG) on SiC(0001). The first image-potential state on MLG (BLG) has a binding energy of 0.93 eV (0.84 eV). Lifetimes of the first three image-potential states of MLG are 9, 44 and 110 fs. On hydrogen-intercalated, quasi-freestanding graphene no unoccupied states are observed. We attribute this to the absence of occupied initial states for direct transitions into image-potential states at photon energies below the work function used in two-photon photoemission. The work function varies between 4.14 and 4.79 eV, but the vacuum level stays ∼4.5 eV above the Dirac point for all surfaces studied. This finding suggests that direct excitation of image-potential states cannot be achieved by doping and the electron dynamics for free-standing graphene is not accessible by two-photon photoemission using photon energies below the work function.

  3. Synchrotron Radiation Photoemission Spectroscopic Study of Band Offsets and Interface Self-cleaning by Atomic Layer Deposited HfO2 on In0.53Ga0.47As and In0.52Al0.48As

    SciTech Connect

    Kobayashi, Masaharu; Chen, P.T.; Sun, Y.; Goel, N.; Majhi, P.; Garner, M; Tsai, W.; Pianetta, P.; Nishi, Y.; /SLAC, SSRL

    2008-10-31

    The Synchrotron Radiation Photoemission Spectroscopic (SRPES) study was conducted to (a) investigate the surface chemistry of In{sub 0.53}Ga{sub 0.47}As and In{sub 0.52}Al{sub 0.48}As post chemical and thermal treatments, (b) construct band diagram and (c) investigate the interface property of HfO{sub 2}/In{sub 0.53}Ga{sub 0.47}As and HfO{sub 2}/In{sub 0.52}Al{sub 0.48}As. Dilute HCl and HF etch remove native oxides on In{sub 0.53}Ga{sub 0.47}As and In{sub 0.52}Al{sub 0.47}As, whereas in-situ vacuum annealing removes surface arsenic pile-up. After the atomic layer deposition of HfO{sub 2}, native oxides were considerably reduced compared to that in as-received epi-layers, strongly suggesting the self-clean mechanism. Valence and conduction band offsets are measured to be 3.37 {+-} 0.1eV, 1.80 {+-} 0.3eV for In{sub 0.53}Ga{sub 0.47}As and 3.00 {+-} 0.1eV, 1.47 {+-} 0.3eV for In{sub 0.52}Al{sub 0.47}As, respectively.

  4. Core level photoionization on free sub-10-nm nanoparticles using synchrotron radiation

    SciTech Connect

    Meinen, Jan; Leisner, Thomas; Khasminskaya, Svetlana; Eritt, Markus; Antonsson, Egill; Langer, Burkhard; Ruehl, Eckart

    2010-08-15

    A novel instrument is presented, which permits studies on singly charged free nanoparticles in the diameter range from 1 to 30 nm using synchrotron radiation in the soft x-ray regime. It consists of a high pressure nanoparticle source, a high efficiency nanoparticle beam inlet, and an electron time-of-flight spectrometer suitable for probing surface and bulk properties of free, levitated nanoparticles. We show results from x-ray photoelectron spectroscopy study near the Si L{sub 3,2}-edge on 8.2 nm SiO{sub 2} particles prepared in a nanoparticle beam. The possible use of this apparatus regarding chemical reactions on the surface of nanometer-sized particles is highlighted. This approach has the potential to be exploited for process studies on heterogeneous atmospheric chemistry.

  5. Surface plasmon enhanced photodetectors based on internal photoemission

    NASA Astrophysics Data System (ADS)

    Alavirad, Mohammad; Roy, Langis; Berini, Pierre

    2016-10-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2017-04-01

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

  7. Temperature dependent core photoemission in Ce 24Co 11

    NASA Astrophysics Data System (ADS)

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

    1985-09-01

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

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

    SciTech Connect

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

    2011-07-15

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

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

    NASA Astrophysics Data System (ADS)

    White, Thomas P.; Catchpole, Kylie R.

    2012-08-01

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

  10. Core level (S 2p) excitation and fragmentation of the dimethyl sulfide and dimethyldisulfide molecules

    NASA Astrophysics Data System (ADS)

    Bernini, R. B.; da Silva, L. B. G.; Rodrigues, F. N.; Coutinho, L. H.; Rocha, A. B.; de Souza, G. G. B.

    2012-04-01

    Electronic excitation and ionic dissociation of dimethylsulfide (DMS) and dimethyldisulfide (DMDS) have been studied around the S 2p edge using synchrotron radiation and time-of-flight mass spectrometry techniques. Mass spectra were obtained for both molecules, below, on and above the well defined resonances observed in the S 2p photoabsorption spectrum and centered at approximately 166 eV photon energy. Ab initio IS-CASSCF calculations were performed for a better understanding of the photoabsorption spectra. Similar calculations were also performed for the H2S molecule, in order to establish a bench mark. For both molecules, a higher fragmentation degree is observed with increasing photon energy. In the DMDS case, selective fragmentation was observed in the formation of the [CHnS]+ ions at the first S 2p resonance (corresponding to excitation to a σ*SS state) and in the formation of the [S2]+ and [S]+ ions at the third S 2p resonance (corresponding to excitation to a σ*CS state). Previously unreported doubly charged ([S]2+, [CH3]2+) are observed for DMS and DMDS.

  11. Core-level spectra and molecular deformation in adsorption: V-shaped pentacene on Al(001)

    PubMed Central

    Lin, He; Brivio, Gian Paolo; Floreano, Luca; Fratesi, Guido

    2015-01-01

    Summary By first-principle simulations we study the effects of molecular deformation on the electronic and spectroscopic properties as it occurs for pentacene adsorbed on the most stable site of Al(001). The rationale for the particular V-shaped deformed structure is discussed and understood. The molecule–surface bond is made evident by mapping the charge redistribution. Upon X-ray photoelectron spectroscopy (XPS) from the molecule, the bond with the surface is destabilized by the electron density rearrangement to screen the core hole. This destabilization depends on the ionized carbon atom, inducing a narrowing of the XPS spectrum with respect to the molecules adsorbed hypothetically undistorted, in full agreement to experiments. When looking instead at the near-edge X-ray absorption fine structure (NEXAFS) spectra, individual contributions from the non-equivalent C atoms provide evidence of the molecular orbital filling, hybridization, and interchange induced by distortion. The alteration of the C–C bond lengths due to the V-shaped bending decreases by a factor of two the azimuthal dichroism of NEXAFS spectra, i.e., the energy splitting of the sigma resonances measured along the two in-plane molecular axes. PMID:26734516

  12. Prediction of core level binding energies in density functional theory: Rigorous definition of initial and final state contributions and implications on the physical meaning of Kohn-Sham energies.

    PubMed

    Pueyo Bellafont, Noèlia; Bagus, Paul S; Illas, Francesc

    2015-06-07

    A systematic study of the N(1s) core level binding energies (BE's) in a broad series of molecules is presented employing Hartree-Fock (HF) and the B3LYP, PBE0, and LC-BPBE density functional theory (DFT) based methods with a near HF basis set. The results show that all these methods give reasonably accurate BE's with B3LYP being slightly better than HF but with both PBE0 and LCBPBE being poorer than HF. A rigorous and general decomposition of core level binding energy values into initial and final state contributions to the BE's is proposed that can be used within either HF or DFT methods. The results show that Koopmans' theorem does not hold for the Kohn-Sham eigenvalues. Consequently, Kohn-Sham orbital energies of core orbitals do not provide estimates of the initial state contribution to core level BE's; hence, they cannot be used to decompose initial and final state contributions to BE's. However, when the initial state contribution to DFT BE's is properly defined, the decompositions of initial and final state contributions given by DFT, with several different functionals, are very similar to those obtained with HF. Furthermore, it is shown that the differences of Kohn-Sham orbital energies taken with respect to a common reference do follow the trend of the properly calculated initial state contributions. These conclusions are especially important for condensed phase systems where our results validate the use of band structure calculations to determine initial state contributions to BE shifts.

  13. Photoemission Investigations of the Bonding and Interactions of Simple Molecules on Metal Surfaces.

    NASA Astrophysics Data System (ADS)

    Heskett, David Robert

    Various experimental techniques, particularly angle-resolved photoemission, have been used to probe the bonding of CO and N(,2) to metal surfaces, the intermolecular interactions within an adsorbate overlayer, and the effects of coadsorbing CO or N(,2) with an alkali metal. The two-dimensional band-like dispersion of the CO and N(,2) 4(sigma) and 5(sigma) valence levels of the systems CO/Co(0001), CO/Ru(001), CO/Cu(111), and N(,2)/Ru(001) have been measured. In almost all cases of CO adsorbed on a transition metal surface, the bandwidth of the 4(sigma) level is directly related to the CO spacing and geometry in the overlayer. This dispersion results from the direct overlap of the 4(sigma) orbitals of neighboring molecules, with the substrate not playing a significant role. The 5(sigma) bandwidths, on the other hand, are not consistently related to the CO spacing. We attribute this to the greater 5(sigma)-substrate interaction vs. the 4(sigma) level. In cases of weak chemisorption, one or both of the (sigma) bandwidths is anomalously small compared with the strongly chemisorbed cases above. We show that this is a many-body effect related to the presence of intense multielectron excitations, or shake-up peaks, in the valence regions of these latter systems. Many chemisorption properties of CO adsorbed to copper vs. transition metal surfaces are compared. A number of qualitative and quantitative differences are found. This suggests that there is a fundamentally different bonding mechanism on these two types of surfaces, which we propose is related to the degree of CO 2(pi) occupancy in these systems. We have performed detailed UPS investigations of the systems CO + K/Cu(100) and CO + K/Ru(001). Our results are quite similar in these two systems and to previous investigations. In both cases, we have observed a strong hybridization and splitting of the CO 5(sigma) and 1(pi) levels in the presence of K and significant changes in the line shape of the K 3p core level when

  14. Inverse-Photoemission Spectroscopy of Iron Oxides, Silver

    NASA Astrophysics Data System (ADS)

    Kim, Bongsoo

    1990-01-01

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

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

    PubMed

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

    2014-07-17

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

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

    SciTech Connect

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

    2014-07-17

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

  17. Observation of Dirac cone band dispersions in FeSe thin films by photoemission spectroscopy

    NASA Astrophysics Data System (ADS)

    Tan, Shiyong; Fang, Yun; Xie, Donghua; Feng, Wei; Wen, Chenhaoping; Song, Qi; Chen, Qiuyun; Zhang, Wen; Zhang, Yun; Luo, Liuzhu; Xie, Binping; Lai, Xinchun; Feng, Donglai; Feng Group Team; Lai Group Team

    The search for novel materials with Dirac cone band dispersion is one of the most challenging and important works for both fundamental physics and technological applications. Here, we studied the electronic structure of FeSe thin films grown on SrTiO3 substrates by angle-resolved photoemission spectroscopy (ARPES). We reveal the existence of Dirac cone band dispersions in FeSe thin films thicker than 1 Unit Cell below the nematic transition temperature, whose apexes are located -10 meV below Fermi energy. The evolution of electronic structures for FeSe thin films as function of temperature, thickness and cobalt doping are systematically studied. The Dirac cones are found to be coexisted with the nematicity in FeSe, disappear when nematicity is suppressed. Our results provide useful guidelines for understanding the novel electronic structure, nematicity and superconductivity in FeSe system..

  18. Observation of Dirac cone band dispersions in FeSe thin films by photoemission spectroscopy

    NASA Astrophysics Data System (ADS)

    Tan, S. Y.; Fang, Y.; Xie, D. H.; Feng, W.; Wen, C. H. P.; Song, Q.; Chen, Q. Y.; Zhang, W.; Zhang, Y.; Luo, L. Z.; Xie, B. P.; Lai, X. C.; Feng, D. L.

    2016-03-01

    The search for novel materials with Dirac cone band dispersion is one of the most challenging and important works for both fundamental physics and technological applications. Here, we studied the electronic structure of FeSe thin films grown on SrTi O3 substrates by angle-resolved photoemission spectroscopy (ARPES). We revealed the existence of Dirac cone band dispersions in FeSe thin films thicker than 1 unit cell below the nematic transition temperature, whose apexes are located -10 meV below Fermi energy. The evolution of electronic structures for FeSe thin films as a function of temperature, thickness, and cobalt doping were systematically studied. The Dirac cones coexist with the nematicity in FeSe and disappear when nematicity is suppressed. Our results provide useful guidelines for understanding the novel electronic structure, nematicity, and superconductivity in the FeSe system.

  19. Simultaneous measurements of photoemission and morphology of various Al alloys during mechanical deformation

    SciTech Connect

    Cai, M.; Li, W.; Dickinson, J. T.

    2006-11-15

    We report simultaneous measurements of strain and photoelectron emission from high purity Al (1350), Al-Mg (5052), Al-Mn (3003), Al-Cu (2024), and Al-Mg-Si (6061) alloys under uniaxial tension due to pulsed excimer laser radiation (248 nm). The emission of low-energy photoelectrons is sensitive to deformation-induced changes in surface morphology, including the formation of slip lines and slip bands. Alloy composition and surface treatment significantly influence the photoemission during deformation. Surface oxide enhances the signal-to-noise level during photoemission measurement. In the early stage of deformation (strain {<=}0.04), photoemission intensity increases gradually in a nonlinear fashion. While subsequent photoemission increases almost linearly with strain until failure in samples with thin oxide layer ({approx}31 A ring ), there are two linear segments of photoemission for the samples with oxide of 45 A ring . The onset of strain localization corresponds to the intersection point of two linear segments, usually at a strain of 0.08-0.20. A constitutive model incorporating microstructure evolution and work hardening during tensile deformation is proposed to qualitatively interpret the growth of the photoemission as a function of strain. Photoemissions from various alloys are interpreted in the light of surface treatment, work function, composition, and microstructural development during deformation.

  20. An Aberration Corrected Photoemission Electron Microscope at the Advanced Light Source

    NASA Astrophysics Data System (ADS)

    Feng, J.; MacDowell, A. A.; Duarte, R.; Doran, A.; Forest, E.; Kelez, N.; Marcus, M.; Munson, D.; Padmore, H.; Petermann, K.; Raoux, S.; Robin, D.; Scholl, A.; Schlueter, R.; Schmid, P.; Stöhr, J.; Wan, W.; Wei, D. H.; Wu, Y.

    2004-05-01

    Design of a new aberration corrected Photoemission electron microscope PEEM3 at the Advanced Light Source is outlined. PEEM3 will be installed on an elliptically polarized undulator beamline and will be used for the study of complex materials at high spatial and spectral resolution. The critical components of PEEM3 are the electron mirror aberration corrector and aberration-free magnetic beam separator. The models to calculate the optical properties of the electron mirror are discussed. The goal of the PEEM3 project is to achieve the highest possible transmission of the system at resolutions comparable to our present PEEM2 system (50 nm) and to enable significantly higher resolution, albeit at the sacrifice of intensity. We have left open the possibility to add an energy filter at a later date, if it becomes necessary driven by scientific need to improve the resolution further.

  1. Tracking Cooper pairs in a cuprate superconductor by ultrafast angle-resolved photoemission.

    PubMed

    Smallwood, Christopher L; Hinton, James P; Jozwiak, Christopher; Zhang, Wentao; Koralek, Jake D; Eisaki, Hiroshi; Lee, Dung-Hai; Orenstein, Joseph; Lanzara, Alessandra

    2012-06-01

    In high-temperature superconductivity, the process that leads to the formation of Cooper pairs, the fundamental charge carriers in any superconductor, remains mysterious. We used a femtosecond laser pump pulse to perturb superconducting Bi(2)Sr(2)CaCu(2)O(8+δ) and studied subsequent dynamics using time- and angle-resolved photoemission and infrared reflectivity probes. Gap and quasiparticle population dynamics revealed marked dependencies on both excitation density and crystal momentum. Close to the d-wave nodes, the superconducting gap was sensitive to the pump intensity, and Cooper pairs recombined slowly. Far from the nodes, pumping affected the gap only weakly, and recombination processes were faster. These results demonstrate a new window into the dynamical processes that govern quasiparticle recombination and gap formation in cuprates.

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

    NASA Astrophysics Data System (ADS)

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

    2017-06-01

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

  3. Density of states evaluation of an insulating polymer by high-sensitivity ultraviolet photoemission spectroscopy

    NASA Astrophysics Data System (ADS)

    Sato, T.; Koswattage, K. R.; Nakayama, Y.; Ishii, H.

    2017-03-01

    Although the contact electrification of insulating polymers has been widely used in various technologies, the mechanism of electrification is still not well understood and several models have been proposed to explain the mechanism. Some of the models assume the existence of bandgap states that can store or release electrons to charge the polymer; however, the density of states in the bandgap region is not well examined. In this study, an approach to directly measure the density of state of insulating polymers using hν-dependent high-sensitivity ultraviolet photoemission spectroscopy is proposed. Demonstration of the approach to a representative insulating polymer, nylon-6,6, is reported with the estimation of the charge density and charge penetration depth as a function of the work function difference.

  4. Interband quasiparticle scattering in superconducting LiFeAs reconciles photoemission and tunneling measurements.

    PubMed

    Hess, Christian; Sykora, Steffen; Hänke, Torben; Schlegel, Ronny; Baumann, Danny; Zabolotnyy, Volodymyr B; Harnagea, Luminita; Wurmehl, Sabine; van den Brink, Jeroen; Büchner, Bernd

    2013-01-04

    Several angle-resolved photoemission spectroscopy (ARPES) studies reveal a poorly nested Fermi surface of LiFeAs, far away from a spin density wave instability, and clear-cut superconducting gap anisotropies. On the other hand a very different, more nested Fermi surface and dissimilar gap anisotropies have been obtained from quasiparticle interference (QPI) data, which were interpreted as arising from intraband scattering within holelike bands. Here we show that this ARPES-QPI paradox is completely resolved by interband scattering between the holelike bands. The resolution follows from an excellent agreement between experimental quasiparticle scattering data and T-matrix QPI calculations (based on experimental band structure data), which allows disentangling interband and intraband scattering processes.

  5. Interband Quasiparticle Scattering in Superconducting LiFeAs Reconciles Photoemission and Tunneling Measurements

    NASA Astrophysics Data System (ADS)

    Hess, Christian; Sykora, Steffen; Hänke, Torben; Schlegel, Ronny; Baumann, Danny; Zabolotnyy, Volodymyr B.; Harnagea, Luminita; Wurmehl, Sabine; van den Brink, Jeroen; Büchner, Bernd

    2013-01-01

    Several angle-resolved photoemission spectroscopy (ARPES) studies reveal a poorly nested Fermi surface of LiFeAs, far away from a spin density wave instability, and clear-cut superconducting gap anisotropies. On the other hand a very different, more nested Fermi surface and dissimilar gap anisotropies have been obtained from quasiparticle interference (QPI) data, which were interpreted as arising from intraband scattering within holelike bands. Here we show that this ARPES-QPI paradox is completely resolved by interband scattering between the holelike bands. The resolution follows from an excellent agreement between experimental quasiparticle scattering data and T-matrix QPI calculations (based on experimental band structure data), which allows disentangling interband and intraband scattering processes.

  6. Unoccupied electronic resonances of Sc adsorbed on W(001) by k-resolved inverse photoemission

    NASA Technical Reports Server (NTRS)

    Lamouri, A.; Krainsky, I. L.; Petukhov, A. G.; Lambrecht, W. R. L.; Segall, B.

    1995-01-01

    Scandium adsorbed on the (001) face of tungsten has been studied using Auger-electron spectroscopy, low-energy electron diffraction, k-resolved inverse photoelectron spectroscopy, work-function measurements, and relativistic-electronic-structure calculations. We find that the work function of W(001) does not decrease monotonically as a function of scandium adsorption but reaches a minimum value of Phi = 3.25 eV at 50% coverage. For a complete monolayer, an order 1 X 1 Sc overlayer is formed. Inverse photoemission in the isochromat mode was used to map the unoccupied energy levels of this overlayer along the bar-Gamma(bar-Mu) symmetry direction of the surface Brillouin zone. Local-density-functional calculations using the muffin-tin orbital method were performed for a 1 X 1 Sc overlayer on W and are compared with the experimental two-dimensional band structure.

  7. Photon energy dependent circular dichroism in angle-resolved photoemission from Au(111) surface states

    NASA Astrophysics Data System (ADS)

    Ryu, Hanyoung; Song, Inkyung; Kim, Beomyoung; Cho, Soohyun; Soltani, Shoresh; Kim, Timur; Hoesch, Moritz; Kim, Choong H.; Kim, Changyoung

    2017-03-01

    We performed angle-resolved photoemission experiments on Au(111) surface with circularly polarized light. Data were taken with photon energies in the range between 20 and 100 eV in order to investigate the photon energy dependent behavior in the circular dichroism (CD). While the magnitude of the normalized CD value varies with a maximum value of about 70%, the sign of CD does not change for the photon energy within the range, inconsistent with the prediction based on the density-functional theory (DFT) calculation. Our calculation of the CD using DFT initial state and free electron final state shows a better consistency with experimental results than an earlier study using the inverse low-energy electron diffraction state as the final state. We briefly discuss the dominating factor that determines the CD from Au(111) states.

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

    PubMed

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

    2017-02-15

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

  9. Accessing Phonon Polaritons in Hyperbolic Crystals by Angle-Resolved Photoemission Spectroscopy.

    PubMed

    Tomadin, Andrea; Principi, Alessandro; Song, Justin C W; Levitov, Leonid S; Polini, Marco

    2015-08-21

    Recently studied hyperbolic materials host unique phonon-polariton (PP) modes. The ultrashort wavelengths of these modes, as well as their low damping, hold promise for extreme subdiffraction nanophotonics schemes. Polar hyperbolic materials such as hexagonal boron nitride can be used to realize long-range coupling between PP modes and extraneous charge degrees of freedom. The latter, in turn, can be used to control and probe PP modes. Here we analyze coupling between PP modes and plasmons in an adjacent graphene sheet, which opens the door to accessing PP modes by angle-resolved photoemission spectroscopy (ARPES). A rich structure in the graphene ARPES spectrum due to PP modes is predicted, providing a new probe of PP modes and their coupling to graphene plasmons.

  10. Unoccupied electronic resonances of Sc adsorbed on W(001) by k-resolved inverse photoemission

    NASA Technical Reports Server (NTRS)

    Lamouri, A.; Krainsky, I. L.; Petukhov, A. G.; Lambrecht, W. R. L.; Segall, B.

    1995-01-01

    Scandium adsorbed on the (001) face of tungsten has been studied using Auger-electron spectroscopy, low-energy electron diffraction, k-resolved inverse photoelectron spectroscopy, work-function measurements, and relativistic-electronic-structure calculations. We find that the work function of W(001) does not decrease monotonically as a function of scandium adsorption but reaches a minimum value of Phi = 3.25 eV at 50% coverage. For a complete monolayer, an order 1 X 1 Sc overlayer is formed. Inverse photoemission in the isochromat mode was used to map the unoccupied energy levels of this overlayer along the bar-Gamma(bar-Mu) symmetry direction of the surface Brillouin zone. Local-density-functional calculations using the muffin-tin orbital method were performed for a 1 X 1 Sc overlayer on W and are compared with the experimental two-dimensional band structure.

  11. An aberration corrected photoemission electron microscope at the advanced light source

    SciTech Connect

    Feng, J.; MacDowell, A.A.; Duarte, R.; Doran, A.; Forest, E.; Kelez, N.; Marcus, M.; Munson, D.; Padmore, H.; Petermann, K.; Raoux, S.; Robin, D.; Scholl, A.; Schlueter, R.; Schmid, P.; Stohr, J.; Wan, W.; Wei, D.H.; Wu, Y.

    2003-11-01

    Design of a new aberration corrected Photoemission electron microscope PEEM3 at the Advanced Light Source is outlined. PEEM3 will be installed on an elliptically polarized undulator beamline and will be used for the study of complex materials at high spatial and spectral resolution. The critical components of PEEM3 are the electron mirror aberration corrector and aberration-free magnetic beam separator. The models to calculate the optical properties of the electron mirror are discussed. The goal of the PEEM3 project is to achieve the highest possible transmission of the system at resolutions comparable to our present PEEM2 system (50 nm) and to enable significantly higher resolution, albeit at the sacrifice of intensity. We have left open the possibility to add an energy filter at a later date, if it becomes necessary driven by scientific need to improve the resolution further.

  12. Complete momentum and energy resolved TOF electron spectrometerfor time-resolved photoemission spectroscopy

    SciTech Connect

    Hussain, Zahid; Lebedev, G.; Tremsin, A.; Siegmund, O.; Chen, Y.; Shen, Z.X.; Hussain, Z.

    2007-08-12

    Over the last decade, high-resolution Angle-Resolved Photoemission Spectroscopy (ARPES) has emerged as a tool of choice for studying the electronic structure of solids, in particular, strongly correlated complex materials such as cuprate superconductors. In this paper we present the design of a novel time-of-flight based electron analyzer with capability of 2D in momentum space (kx and ky) and all energies (calculated from time of flight) in the third dimension. This analyzer will utilize an improved version of a 2D delay linedetector capable of imaging with<35 mm (700x700 pixels) spatial resolution and better than 120 ps FWHM timing resolution. Electron optics concepts and optimization procedure are considered for achieving an energy resolution less than 1 meV and an angular resolution better than 0.11.

  13. Imaging and characterization of conducting ferroelectric domain walls by photoemission electron microscopy

    SciTech Connect

    Schaab, J.; Meier, D.; Krug, I. P.; Nickel, F.; Gottlob, D. M.; Doğanay, H.; Schneider, C. M.; Cano, A.; Hentschel, M.; Yan, Z.; Bourret, E.; Ramesh, R.

    2014-06-09

    High-resolution X-ray photoemission electron microscopy (X-PEEM) is a well-established method for imaging ferroelectric domain structures. Here, we expand the scope of application of X-PEEM and demonstrate its capability for imaging and investigating domain walls in ferroelectrics with high spatial resolution. Using ErMnO{sub 3} as test system, we show that ferroelectric domain walls can be visualized based on photo-induced charging effects and local variations in their electronic conductance can be mapped by analyzing the energy distribution of photoelectrons. Our results open the door for non-destructive, contact-free, and element-specific studies of the electronic and chemical structure at domain walls in ferroelectrics.

  14. Core-level positive-ion and negative-ion fragmentation of gaseous and condensed HCCl3 using synchrotron radiation

    NASA Astrophysics Data System (ADS)

    Lu, K. T.; Chen, J. M.; Lee, J. M.; Haw, S. C.; Liang, Y. C.; Deng, M. J.

    2011-07-01

    We investigated the dissociation dynamics of positive-ion and negative-ion fragments of gaseous and condensed HCCl3 following photoexcitation of Cl 2p electrons to various resonances. Based on ab initio calculations at levels HF/cc-pVTZ and QCISD/6-311G*, the first doublet structures in Cl L-edge x-ray absorption spectrum of HCCl3 are assigned to transitions from the Cl (2P3/2,1/2) initial states to the 10a1* orbitals. The Cl 2p → 10a1* excitation of HCCl3 induces a significant enhancement of the Cl+ desorption yield in the condensed phase and a small increase in the HCCl+ yield in the gaseous phase. Based on the resonant photoemission of condensed HCCl3, excitations of Cl 2p electrons to valence orbitals decay predominantly via spectator Auger transitions. The kinetic energy distributions of Cl+ ion via the Cl 2p → 10a1* excitation are shifted to higher energy ˜0.2 eV and ˜0.1 eV relative to those via the Cl 2p → 10e* excitation and Cl 2p → shape resonance excitation, respectively. The enhancement of the yields of ionic fragments at specific core-excited resonance states is assisted by a strongly repulsive surface that is directly related to the spectator electrons localized in the antibonding orbitals. The Cl- anion is significantly reinforced in the vicinity of Cl 2p ionization threshold of gaseous HCCl3, mediated by photoelectron recapture through post-collision interaction.

  15. Skin-depth lattice strain, core-level trap depression and valence charge polarization of Al surfaces

    NASA Astrophysics Data System (ADS)

    Wang, Yan; Bo, Maolin; Liu, Yonghui; Guo, Yongling; Wang, Haibin; Yue, Jian; Huang, Yongli

    2016-01-01

    Clarifying the origin for surface core-level shift (SCLS) and gaining quantitative information regarding the coordination-resolved local strain, binding energy (BE) shift and cohesive energy change have been a challenge. Here, we show that a combination of the bond order-length-strength (BOLS) premise, X-ray photoelectron spectroscopy (XPS) and the ab initio density functional theory (DFT) calculations of aluminum (Al) 2p3/2 energy shift of Al surfaces has enabled us to derive such information, namely, (i) the 2p3/2 energy of an isolated Al atom (72.146 ± 0.003eV) and its bulk shift (0.499 eV); (ii) the skin lattice contracts by up to 12.5% and the BE density increases by 70%; and (iii) the cohesive energy drops up to 38%. It is affirmed that the shorter and stronger bonds between under-coordinated atoms provide a perturbation to the Hamiltonian and hence lead to the local strain, quantum entrapment and valence charge polarization. Findings should help in understanding the phenomena of surface pre-melting and skin-high elasticity, in general.

  16. Ce Core-Level Spectroscopy, and Magnetic and Electrical Transport Properties of Lightly Ce-Doped YCoO3

    NASA Astrophysics Data System (ADS)

    Kobayashi, Yoshihiko; Koike, Tsuyoshi; Okawa, Mario; Takayanagi, Ryohei; Takei, Shohei; Minohara, Makoto; Kobayashi, Masaki; Horiba, Koji; Kumigashira, Hiroshi; Yasui, Akira; Ikenaga, Eiji; Saitoh, Tomohiko; Asai, Kichizo

    2016-11-01

    We have investigated the Ce and Co core level spectroscopy, and the magnetic and electrical transport properties of lightly Ce-doped YCoO3. We have successfully synthesized single-phase Y1-xCexCoO3 for 0.0 ≤ x ≤ 0.1 by the sol-gel method. Hard X-ray photoelectron and X-ray absorption spectroscopy experiments reveal that the introduced Ce ions are tetravalent, which is considered to be the first case of electron doping into bulk trivalent Co oxides with perovskite RECoO3 (RE: rare-earth element or Y) caused by RE site substitution. The magnitude of the effective magnetic moment peff obtained from the temperature dependence of magnetic susceptibility χ(T) at higher temperatures is close to that for high-spin Co2+ introduced by the Ce doping, implying that the electrons doped into the Co site induce Co2+ with a high-spin state. For x = 0.1, ferromagnetic ordering is observed below about 7 K. Electrical transport properties such as resistivity and thermoelectric power show that negative electron-like carriers are introduced by Ce substitution.

  17. Synthesis Dependent Core Level Binding Energy Shift in the Oxidation State of Platinum Coated on Ceria–Titania and its Effect on Catalytic Decomposition of Methanol

    SciTech Connect

    Karakoti, A. S.; King, Jessica; Vincent, Abhilash; Seal, Sudipta

    2010-11-20

    Synergistic interaction of catalyst and support has attracted the interest of the catalytic community for several decades. The decomposition/oxidation of alcohols for the production of hydrogen as a source of fuel requires such support catalyst interaction. Recent studies have suggested the active role of oxide based supports on the catalytic ability of noble metals such as gold, platinum and palladium. Herein, we report the effect of synthesis technique on the catalytic activity of platinum coated on mixed ceria-titania support system. Wet impregnation technique followed by calcination was compared with the chemical reduction of platinum during the coating over oxide support. Methanol decomposition studied using an in-house built catalytic reactor coupled to a mass spectrometer showed that catalyst prepared by thermal reduction of platinum demonstrated better catalytic ability than the catalyst prepared by chemical reduction of platinum. Transmission electron microscopy revealed that the size of both platinum and ceria-titania particles remained unchanged, while the X-ray photoelectron spectroscopy (XPS) revealed that the oxidation state of platinum was modified by different coating procedures. A shift in the core level binding energy of the Pt 4f towards lower binding energy was observed with chemical reduction. Based on the XPS data it was found that platinum (on ceria-titania supports) in mixed oxidation state outperformed the Pt in reduced metallic state. Results from catalysis and in situ Fourier transform infra red spectroscopy are presented and discussed.

  18. Delayed photo-emission model for beam optics codes

    DOE PAGES

    Jensen, Kevin L.; Petillo, John J.; Panagos, Dimitrios N.; ...

    2016-11-22

    Future advanced light sources and x-ray Free Electron Lasers require fast response from the photocathode to enable short electron pulse durations as well as pulse shaping, and so the ability to model delays in emission is needed for beam optics codes. The development of a time-dependent emission model accounting for delayed photoemission due to transport and scattering is given, and its inclusion in the Particle-in-Cell code MICHELLE results in changes to the pulse shape that are described. Furthermore, the model is applied to pulse elongation of a bunch traversing an rf injector, and to the smoothing of laser jitter onmore » a short pulse.« less

  19. Electric field stimulation setup for photoemission electron microscopes

    SciTech Connect

    Buzzi, M.; Vaz, C. A. F.; Raabe, J.; Nolting, F.

    2015-08-15

    Manipulating magnetisation by the application of an electric field in magnetoelectric multiferroics represents a timely issue due to the potential applications in low power electronics and the novel physics involved. Thanks to its element sensitivity and high spatial resolution, X-ray photoemission electron microscopy is a uniquely suited technique for the investigation of magnetoelectric coupling in multiferroic materials. In this work, we present a setup that allows for the application of in situ electric and magnetic fields while the sample is analysed in the microscope. As an example of the performances of the setup, we present measurements on Ni/Pb(Mg{sub 0.66}Nb{sub 0.33})O{sub 3}-PbTiO{sub 3} and La{sub 0.7}Sr{sub 0.3}MnO{sub 3}/PMN-PT artificial multiferroic nanostructures.

  20. Photoemission characteristics of thin GaAs-based heterojunction photocathodes

    SciTech Connect

    Feng, Cheng; Zhang, Yijun Qian, Yunsheng; Shi, Feng; Zou, Jijun; Zeng, Yugang

    2015-01-14

    To better understand the different photoemission mechanism of thin heterojunction photocathodes, the quantum efficiency models of reflection-mode and transmission-mode GaAs-based heterojunction photocathodes are revised based on one-dimensional continuity equations, wherein photoelectrons generated from both the emission layer and buffer layer are taken into account. By comparison of simulated results between the revised and conventional models, it is found that the electron contribution from the buffer layer to shortwave quantum efficiency is closely related to some factors, such as the thicknesses of emission layer and buffer layer and the interface recombination velocity. Besides, the experimental quantum efficiency data of reflection-mode and transmission-mode AlGaAs/GaAs photocathodes are well fitted to the revised models, which confirm the applicability of the revised quantum efficiency models.