WorldWideScience

Sample records for surface electronic states

  1. Electron spectroscopy of nanodiamond surface states

    Energy Technology Data Exchange (ETDEWEB)

    Belobrov, P.I.; Bursill, L.A.; Maslakov, K.I.; Dementjev, A.P

    2003-06-15

    Electronic states of nanodiamond (ND) were investigated by PEELS, XPS and CKVV Auger spectra. Parallel electron energy loss spectra (PEELS) show that the electrons inside of ND particles are sp{sup 3} hybridized but there is a surface layer containing distinct hybridized states. The CKVV Auger spectra imply that the HOMO of the ND surface has a shift of 2.5 eV from natural diamond levels of {sigma}{sub p} up to the Fermi level. Hydrogen (H) treatment of natural diamond surface produces a chemical state indistinguishable from that of ND surfaces using CKVV. The ND electronic structure forms {sigma}{sub s}{sup 1}{sigma}{sub p}{sup 2}{pi}{sup 1} surface states without overlapping of {pi}-levels. Surface electronic states, including surface plasmons, as well as phonon-related electronic states of the ND surface are also interesting and may also be important for field emission mechanisms from the nanostructured diamond surface.

  2. Surface study of liquid 3He using surface state electrons

    International Nuclear Information System (INIS)

    Shirahama, K.; Ito, S.; Suto, H.; Kono, K.

    1995-01-01

    We have measured the mobility of surface state electrons (SSE) on liquid 3 He, μ 3 , aiming to study the elementary surface excitations of the Fermi liquid. A gradual increase of μ 3 below 300 mK is attributed to the scattering of electrons by ripplons. Ripplons do exist in 3 He down to 100 mK. We observe an abrupt decrease of μ 3 , due to the transition to the Wigner solid (WS). The dependences of the WS conductivity and mobility on temperature and magnetic field differ from the SSE behavior on liquid 4 He

  3. Surface-electronic-state effects in electron emission from the Be(0001) surface

    International Nuclear Information System (INIS)

    Archubi, C. D.; Gravielle, M. S.; Silkin, V. M.

    2011-01-01

    We study the electron emission produced by swift protons impinging grazingly on a Be(0001) surface. The process is described within a collisional formalism using the band-structure-based (BSB) approximation to represent the electron-surface interaction. The BSB model provides an accurate description of the electronic band structure of the solid and the surface-induced potential. Within this approach we derive both bulk and surface electronic states, with these latter characterized by a strong localization at the crystal surface. We found that such surface electronic states play an important role in double-differential energy- and angle-resolved electron emission probabilities, producing noticeable structures in the electron emission spectra.

  4. Surface-electronic-state effects in electron emission from the Be(0001) surface

    Energy Technology Data Exchange (ETDEWEB)

    Archubi, C. D. [Instituto de Astronomia y Fisica del Espacio, casilla de correo 67, sucursal 28, C1428EGA, Buenos Aires (Argentina); Gravielle, M. S. [Instituto de Astronomia y Fisica del Espacio, casilla de correo 67, sucursal 28, C1428EGA, Buenos Aires (Argentina); Departamento de Fisica, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Buenos Aires (Argentina); Silkin, V. M. [Donostia International Physics Center, E-20018 San Sebastian (Spain); Departamento de Fisica de Materiales, Facultad de Ciencias Quimicas, Universidad del Pais Vasco, Apartado 1072, E-20080 San Sebastian (Spain); IKERBASQUE, Basque Foundation for Science, E-48011 Bilbao (Spain)

    2011-07-15

    We study the electron emission produced by swift protons impinging grazingly on a Be(0001) surface. The process is described within a collisional formalism using the band-structure-based (BSB) approximation to represent the electron-surface interaction. The BSB model provides an accurate description of the electronic band structure of the solid and the surface-induced potential. Within this approach we derive both bulk and surface electronic states, with these latter characterized by a strong localization at the crystal surface. We found that such surface electronic states play an important role in double-differential energy- and angle-resolved electron emission probabilities, producing noticeable structures in the electron emission spectra.

  5. Surface Relaxation and Electronic States of Pt(111) Surface with Varying Slab Thickness

    International Nuclear Information System (INIS)

    Kaushal, Ashok K.; Mullick, Shanta; Ahluwalia, P. K.

    2011-01-01

    Surface relaxation and electronic DOS's of Pt(111) surface have been studied with varying slab thickness using ab-initio SIESTA method. We found the expansion in the top layer and contraction in the subsurface layers of Pt(111) surface. Our results match with the experimental results. Also observing electronic density of states we found that as we increase the thickness of slab, the PDOS of Pt(111) surface goes towards the bulk density of states and Fermi energy shifts towards the bulk fermi energy.

  6. Electronic-state control of amino acids on semiconductor surfaces

    International Nuclear Information System (INIS)

    Oda, Masato; Nakayama, Takashi

    2005-01-01

    Electronic structures of amino acids on the Si(1 1 1) surfaces are investigated by using ab initio Hartree-Fock calculations. It is shown that among various polar amino acids, a histidine is the only one that can be positively ionized when hole carriers are supplied in the Si substrate, by transferring the hole charge from Si substrate to an amino acid. This result indicates that the ionization of a histidine, which will activate the protein functions, can be controlled electrically by producing amino acid/Si junctions

  7. Electronic interconnects and devices with topological surface states and methods for fabricating same

    Science.gov (United States)

    Yazdani, Ali; Ong, N. Phuan; Cava, Robert J.

    2016-05-03

    An interconnect is disclosed with enhanced immunity of electrical conductivity to defects. The interconnect includes a material with charge carriers having topological surface states. Also disclosed is a method for fabricating such interconnects. Also disclosed is an integrated circuit including such interconnects. Also disclosed is a gated electronic device including a material with charge carriers having topological surface states.

  8. Electronic interconnects and devices with topological surface states and methods for fabricating same

    Energy Technology Data Exchange (ETDEWEB)

    Yazdani, Ali; Ong, N. Phuan; Cava, Robert J.

    2017-04-04

    An interconnect is disclosed with enhanced immunity of electrical conductivity to defects. The interconnect includes a material with charge carriers having topological surface states. Also disclosed is a method for fabricating such interconnects. Also disclosed is an integrated circuit including such interconnects. Also disclosed is a gated electronic device including a material with charge carriers having topological surface states.

  9. One-dimensional versus two-dimensional electronic states in vicinal surfaces

    International Nuclear Information System (INIS)

    Ortega, J E; Ruiz-Oses, M; Cordon, J; Mugarza, A; Kuntze, J; Schiller, F

    2005-01-01

    Vicinal surfaces with periodic arrays of steps are among the simplest lateral nanostructures. In particular, noble metal surfaces vicinal to the (1 1 1) plane are excellent test systems to explore the basic electronic properties in one-dimensional superlattices by means of angular photoemission. These surfaces are characterized by strong emissions from free-electron-like surface states that scatter at step edges. Thereby, the two-dimensional surface state displays superlattice band folding and, depending on the step lattice constant d, it splits into one-dimensional quantum well levels. Here we use high-resolution, angle-resolved photoemission to analyse surface states in a variety of samples, in trying to illustrate the changes in surface state bands as a function of d

  10. InN/GaN quantum dot superlattices: Charge-carrier states and surface electronic structure

    Science.gov (United States)

    Kanouni, F.; Brezini, A.; Djenane, M.; Zou, Q.

    2018-03-01

    We have theoretically investigated the electron energy spectra and surface states energy in the three dimensionally ordered quantum dot superlattices (QDSLs) made of InN and GaN semiconductors. The QDSL is assumed in this model to be a matrix of GaN containing cubic dots of InN of the same size and uniformly distributed. For the miniband’s structure calculation, the resolution of the effective mass Schrödinger equation is done by decoupling it in the three directions within the framework of Kronig-Penney model. We found that the electrons minibands in infinite ODSLs are clearly different from those in the conventional quantum-well superlattices. The electrons localization and charge-carrier states are very dependent on the quasicrystallographic directions, the size and the shape of the dots which play a role of the artificial atoms in such QD supracrystal. The energy spectrum of the electron states localized at the surface of InN/GaN QDSL is represented by Kronig-Penney like-model, calculated via direct matching procedure. The calculation results show that the substrate breaks symmetrical shape of QDSL on which some localized electronic surface states can be produced in minigap regions. Furthermore, we have noticed that the surface states degeneracy is achieved in like very thin bands located in the minigaps, identified by different quantum numbers nx, ny, nz. Moreover, the surface energy bands split due to the reduction of the symmetry of the QDSL in z-direction.

  11. Influence of metallic surface states on electron affinity of epitaxial AlN films

    Energy Technology Data Exchange (ETDEWEB)

    Mishra, Monu; Krishna, Shibin; Aggarwal, Neha [Advanced Materials and Devices Division, CSIR-National Physical Laboratory, Dr. K.S. Krishnan Marg, New Delhi110012 (India); Academy of Scientific and Innovative Research (AcSIR), CSIR-NPL Campus, Dr. K.S. Krishnan Marg, New Delhi 110012 (India); Gupta, Govind, E-mail: govind@nplindia.org [Advanced Materials and Devices Division, CSIR-National Physical Laboratory, Dr. K.S. Krishnan Marg, New Delhi110012 (India); Academy of Scientific and Innovative Research (AcSIR), CSIR-NPL Campus, Dr. K.S. Krishnan Marg, New Delhi 110012 (India)

    2017-06-15

    The present article investigates surface metallic states induced alteration in the electron affinity of epitaxial AlN films. AlN films grown by plasma-assisted molecular beam epitaxy system with (30% and 16%) and without metallic aluminium on the surface were probed via photoemission spectroscopic measurements. An in-depth analysis exploring the influence of metallic aluminium and native oxide on the electronic structure of the films is performed. It was observed that the metallic states pinned the Fermi Level (FL) near valence band edge and lead to the reduction of electron affinity (EA). These metallic states initiated charge transfer and induced changes in surface and interface dipoles strength. Therefore, the EA of the films varied between 0.6–1.0 eV due to the variation in contribution of metallic states and native oxide. However, the surface barrier height (SBH) increased (4.2–3.5 eV) adversely due to the availability of donor-like surface states in metallic aluminium rich films.

  12. Clean Os(0001) electronic surface states: A first-principle fully relativistic investigation

    Science.gov (United States)

    Urru, Andrea; Dal Corso, Andrea

    2018-05-01

    We analyze the electronic structure of the Os(0001) surface by means of first-principle calculations based on Fully Relativistic (FR) Density Functional Theory (DFT) and a Projector Augmented-Wave (PAW) approach. We investigate surface states and resonances analyzing their spin-orbit induced energy splitting and their spin polarization. The results are compared with previously studied surfaces Ir(111), Pt(111), and Au(111). We do not find any surface state in the gap similar to the L-gap of the (111) fcc surfaces, but find Rashba split resonances that cross the Fermi level and, as in the recently studied Ir(111) surface, have a characteristic downward dispersion. Moreover, for some selected surface states we study the spin polarization with respect to k∥, the wave-vector parallel to the surface. In some cases, such as the Rashba split resonances, the spin polarization shows a smooth behavior with slow rotations, in others the rotation is faster, due to mixing and anti-crossing of the states.

  13. Real-space Mapping of Surface Trap States in CIGSe Nanocrystals using 4D Electron Microscopy

    KAUST Repository

    Bose, Riya

    2016-05-26

    Surface trap states in semiconductor copper indium gallium selenide nanocrystals (NCs) which serve as undesirable channels for non-radiative carrier recombination, remain a great challenge impeding the development of solar and optoelectronics devices based on these NCs. In order to design efficient passivation techniques to minimize these trap states, a precise knowledge about the charge carrier dynamics on the NCs surface is essential. However, selective mapping of surface traps requires capabilities beyond the reach of conventional laser spectroscopy and static electron microscopy; it can only be accessed by using a one-of-a-kind, second-generation four-dimensional scanning ultrafast electron microscope (4D S-UEM) with sub-picosecond temporal and nanometer spatial resolutions. Here, we precisely map the surface charge carrier dynamics of copper indium gallium selenide NCs before and after surface passivation in real space and time using S-UEM. The time-resolved snapshots clearly demonstrate that the density of the trap states is significantly reduced after zinc sulfide (ZnS) shelling. Furthermore, removal of trap states and elongation of carrier lifetime are confirmed by the increased photocurrent of the self-biased photodetector fabricated using the shelled NCs.

  14. Real-space Mapping of Surface Trap States in CIGSe Nanocrystals using 4D Electron Microscopy

    KAUST Repository

    Bose, Riya; Bera, Ashok; Parida, Manas R.; Adhikari, Aniruddha; Shaheen, Basamat; Alarousu, Erkki; Sun, Jingya; Wu, Tao; Bakr, Osman; Mohammed, Omar F.

    2016-01-01

    Surface trap states in semiconductor copper indium gallium selenide nanocrystals (NCs) which serve as undesirable channels for non-radiative carrier recombination, remain a great challenge impeding the development of solar and optoelectronics devices based on these NCs. In order to design efficient passivation techniques to minimize these trap states, a precise knowledge about the charge carrier dynamics on the NCs surface is essential. However, selective mapping of surface traps requires capabilities beyond the reach of conventional laser spectroscopy and static electron microscopy; it can only be accessed by using a one-of-a-kind, second-generation four-dimensional scanning ultrafast electron microscope (4D S-UEM) with sub-picosecond temporal and nanometer spatial resolutions. Here, we precisely map the surface charge carrier dynamics of copper indium gallium selenide NCs before and after surface passivation in real space and time using S-UEM. The time-resolved snapshots clearly demonstrate that the density of the trap states is significantly reduced after zinc sulfide (ZnS) shelling. Furthermore, removal of trap states and elongation of carrier lifetime are confirmed by the increased photocurrent of the self-biased photodetector fabricated using the shelled NCs.

  15. Dynamic tunneling force microscopy for characterizing electronic trap states in non-conductive surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Wang, R.; Williams, C. C., E-mail: clayton@physics.utah.edu [Department of Physics and Astronomy, University of Utah, Salt Lake City, Utah 84112 (United States)

    2015-09-15

    Dynamic tunneling force microscopy (DTFM) is a scanning probe technique for real space mapping and characterization of individual electronic trap states in non-conductive films with atomic scale spatial resolution. The method is based upon the quantum mechanical tunneling of a single electron back and forth between a metallic atomic force microscopy tip and individual trap states in completely non-conducting surface. This single electron shuttling is measured by detecting the electrostatic force induced on the probe tip at the shuttling frequency. In this paper, the physical basis for the DTFM method is unfolded through a physical model and a derivation of the dynamic tunneling signal as a function of several experimental parameters is shown. Experimental data are compared with the theoretical simulations, showing quantitative consistency and verifying the physical model used. The experimental system is described and representative imaging results are shown.

  16. Changes of surface electron states of InP under soft X-rays irradiation

    International Nuclear Information System (INIS)

    Yang Zhian; Yang Zushen; Jin Tao; Qui Rexi; Cui Mingqi; Liu Fengqin

    1999-01-01

    Changes of surface electronic states of InP under 1 keV X-ray irradiation is studied by X-ray photoelectron spectroscopy (XPS) and ultraviolet ray energy spectroscopy (UPS). The results show that the soft X-ray irradiation has little effect on In atoms but much on P atoms. The authors analysed the mechanism of irradiation and explained the major effect

  17. Dynamic Electron Correlation Effects on the Ground State Potential Energy Surface of a Retinal Chromophore Model.

    Science.gov (United States)

    Gozem, Samer; Huntress, Mark; Schapiro, Igor; Lindh, Roland; Granovsky, Alexander A; Angeli, Celestino; Olivucci, Massimo

    2012-11-13

    The ground state potential energy surface of the retinal chromophore of visual pigments (e.g., bovine rhodopsin) features a low-lying conical intersection surrounded by regions with variable charge-transfer and diradical electronic structures. This implies that dynamic electron correlation may have a large effect on the shape of the force fields driving its reactivity. To investigate this effect, we focus on mapping the potential energy for three paths located along the ground state CASSCF potential energy surface of the penta-2,4-dieniminium cation taken as a minimal model of the retinal chromophore. The first path spans the bond length alternation coordinate and intercepts a conical intersection point. The other two are minimum energy paths along two distinct but kinetically competitive thermal isomerization coordinates. We show that the effect of introducing the missing dynamic electron correlation variationally (with MRCISD) and perturbatively (with the CASPT2, NEVPT2, and XMCQDPT2 methods) leads, invariably, to a stabilization of the regions with charge transfer character and to a significant reshaping of the reference CASSCF potential energy surface and suggesting a change in the dominating isomerization mechanism. The possible impact of such a correction on the photoisomerization of the retinal chromophore is discussed.

  18. Coupling a Surface Acoustic Wave to an Electron Spin in Diamond via a Dark State

    Directory of Open Access Journals (Sweden)

    D. Andrew Golter

    2016-12-01

    Full Text Available The emerging field of quantum acoustics explores interactions between acoustic waves and artificial atoms and their applications in quantum information processing. In this experimental study, we demonstrate the coupling between a surface acoustic wave (SAW and an electron spin in diamond by taking advantage of the strong strain coupling of the excited states of a nitrogen vacancy center while avoiding the short lifetime of these states. The SAW-spin coupling takes place through a Λ-type three-level system where two ground spin states couple to a common excited state through a phonon-assisted as well as a direct dipole optical transition. Both coherent population trapping and optically driven spin transitions have been realized. The coherent population trapping demonstrates the coupling between a SAW and an electron spin coherence through a dark state. The optically driven spin transitions, which resemble the sideband transitions in a trapped-ion system, can enable the quantum control of both spin and mechanical degrees of freedom and potentially a trapped-ion-like solid-state system for applications in quantum computing. These results establish an experimental platform for spin-based quantum acoustics, bridging the gap between spintronics and quantum acoustics.

  19. Changes in the surface electronic states of semiconductor fine particles induced by high energy ion irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Yamaki, Tetsuya; Asai, Keisuke; Ishigure, Kenkichi [Tokyo Univ. (Japan); Shibata, Hiromi

    1997-03-01

    The changes in the surface electronic states of Q-sized semiconductor particles in Langmuir-Blodgett (LB) films, induced by high energy ion irradiation, were examined by observation of ion induced emission and photoluminescence (PL). Various emission bands attributed to different defect sites in the band gap were observed at the initial irradiation stage. As the dose increased, the emissions via the trapping sites decreased in intensity while the band-edge emission developed. This suggests that the ion irradiation would remove almost all the trapping sites in the band gap. The low energy emissions, which show a multiexponential decay, were due to a donor-acceptor recombination between the deeply trapped carriers. It was found that the processes of formation, reaction, and stabilization of the trapping sites would predominantly occur under the photooxidizing conditions. (author)

  20. Chemical state analysis of oxidation products on steel surface by conversion electron Moessbauer spectrometry

    International Nuclear Information System (INIS)

    Ujihira, Yusuke; Nomura, Kiyoshi

    1978-01-01

    The polished NT-70H steel (Fe: 95.97%, C: 0.56%, diameter: 5 cm, thickness: 0.5 cm) was immersed in deionized water or in solutions containing (0.25 -- 0.5) M of chloride, sulfate and nitrate ions. The chemical states of oxidation products of iron on the surface were identified through the analysis of conversion electron Moessbauer spectra (CEMS). CEMS of the steel surface, which had been dipped in deionized water, revealed that γ-FeOOH was formed on the surface. The thickness of γ-FeOOH layer increased with the increase of the duration of dipping. Dissolved oxygen in the solution played an essential role in the oxidation of iron to γ-FeOOH. Oxidation product of iron dipped in the 0.5 M sodium chloride solution was identified as γ-FeOOH. Amorphous paramagnetic iron (III) compound tended to form in the presence of hydrogen peroxide or ammonium ions in the solutions. The increase of alkalinity of the solution up to pH 12 suppressed the oxidation rate and assisted the formation of green rust, which was confirmed by the appearance of the quadrupole splitting peaks of the green rust. In the 0.25 M sodium sulfate solution, oxidation of the steel surface proceeded slowly and the quadrupole splitting peaks of Fe(OH) 2 were seen in the CEMS. The peak intensity of Fe(OH) 2 gradually decreased and that of γ-FeOOH increased by the extension of immersion of steel in the solution. Magnetite (Fe 3 O 4 ) layer was developed beneath the γ-FeOOH layer, when steel was dipped in 0.5 M sodium nitrate solution. However, the peaks of Fe 3 O 4 were not seen on CEMS of steel surface immersed in 0.5 M ammonium nitrate solution. Thus, applying the feasibility of CEMS for the characterization of oxidated compounds of iron on the steel surface formed by the immersion in solutions, the oxidation mechanism of the steel surface was discussed based upon the results of chemical state analyses. (author)

  1. Hot-electron-mediated desorption rates calculated from excited-state potential energy surfaces

    DEFF Research Database (Denmark)

    Olsen, Thomas; Gavnholt, Jeppe; Schiøtz, Jakob

    2009-01-01

    We present a model for desorption induced by (multiple) electronic transitions [DIET (DIMET)] based on potential energy surfaces calculated with the delta self-consistent field extension of density-functional theory. We calculate potential energy surfaces of CO and NO molecules adsorbed on variou...

  2. Control of two-dimensional electronic states at anatase Ti O2(001 ) surface by K adsorption

    Science.gov (United States)

    Yukawa, R.; Minohara, M.; Shiga, D.; Kitamura, M.; Mitsuhashi, T.; Kobayashi, M.; Horiba, K.; Kumigashira, H.

    2018-04-01

    The nature of the intriguing metallic electronic structures appearing at the surface of anatase titanium dioxide (a-Ti O2 ) remains to be elucidated, mainly owing to the difficulty of controlling the depth distribution of the oxygen vacancies generated by photoirradiation. In this study, K atoms were adsorbed onto the (001) surface of a-Ti O2 to dope electrons into the a-Ti O2 and to confine the electrons in the surface region. The success of the electron doping and its controllability were confirmed by performing in situ angle-resolved photoemission spectroscopy as well as core-level measurements. Clear subband structures were observed in the surface metallic states, indicating the creation of quasi-two-dimensional electron liquid (q2DEL) states in a controllable fashion. With increasing electron doping (K adsorption), the q2DEL states exhibited crossover from polaronic liquid states with multiple phonon-loss structures originating from the long-range Fröhlich interaction to "weakly correlated metallic" states. In the q2DEL states in the weakly correlated metallic region, a kink due to short-range electron-phonon coupling was clearly observed at about 80 ±10 meV . The characteristic energy is smaller than that previously observed for the metallic states of a-Ti O2 with three-dimensional nature (˜110 meV ) . These results suggest that the dominant electron-phonon coupling is modulated by anisotropic carrier screening in the q2DEL states.

  3. Incident ion charge state dependence of electron emission during slow multicharged ion-surface interactions

    International Nuclear Information System (INIS)

    Hughes, I.G.; Zeijlmans van Emmichoven, P.A.; Havener, C.C.; Overbury, S.H.; Robinson, M.T.; Zehner, D.M.; Meyer, F.W.

    1992-01-01

    Characteristic variations in the total electron yield γ as a function of crystal azimuthal orientation are reported for slow N 2+ , N 5+ and N 6+ ions incident on a Au(011) single crystal, together with measurements of γ as a function of incident ion velocity. Kinetic electron emission is shown to arise predominantly in close collisions between incident ions and target atoms, and potential electron emission is found to be essentially constant within our present velocity range. The incident ion charge state is shown to play no role in kinetic electron emission. Extremely fast neutralization times of the order of 10 - 15 secs are needed to explain the observations

  4. Direct observation of spin-resolved full and empty electron states in ferromagnetic surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Berti, G., E-mail: giulia.berti@polimi.it; Calloni, A.; Brambilla, A.; Bussetti, G.; Duò, L.; Ciccacci, F. [Dipartimento di Fisica, Politecnico di Milano, Piazza Leonardo da Vinci 32, I-20133, Milano (Italy)

    2014-07-15

    We present a versatile apparatus for the study of ferromagnetic surfaces, which combines spin-polarized photoemission and inverse photoemission spectroscopies. Samples can be grown by molecular beam epitaxy and analyzed in situ. Spin-resolved photoemission spectroscopy analysis is done with a hemispherical electron analyzer coupled to a 25 kV-Mott detector. Inverse photoemission spectroscopy experiments are performed with GaAs crystals as spin-polarized electron sources and a UV bandpass photon detector. As an example, measurements on the oxygen passivated Fe(100)-p(1×1)O surface are presented.

  5. Electronic states on the clean and oxygen-covered molybdenum (110) surface measured using time-of-flight momentum microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Chernov, Sergii

    2016-04-20

    Recent experiments discovered a new class of materials called topological insulators and started an extensive investigation in order to find more materials of such type and to understand and explore the opening perspectives in fundamental science and application. These materials exhibit a Dirac-type (massless) electronic state, bridging the fundamental band gap. Surprisingly, a strongly spin-polarized surface state with linear dispersion resembling that of Dirac type was found on the already well-investigated W(110) surface. This rose the question of the existence of the same non-trivial electron state on other metal surfaces. The present work describes the investigation of surface electronic states on the Mo(110) surface, their dispersion and transformation upon surface oxidation. This system is isoelectronic to the case of W(110) but due to the lower atomic number the spin-orbit interaction responsible for local band gap formation is substantially decreased by a factor of 5. The Mo(110) surface was shown to exhibit a linearly dispersing state quite similar to the one on W(110), but within a smaller energy range of 120 meV, with the Dirac point lying in the center of a local band gap in k-space. The experimental investigations were performed with the help of momentum microscopy, using a Ti:sapphire laser in the lab and synchrotron radiation at BESSY II, Berlin. The results show good agreement with theoretical calculations of the band structure and photoemission patterns for clean Mo(110). The fully parallel 3D acquisition scheme allowed to visualize the full surface Brillouin zone of the sample up to few eV binding energy within a single exposure of typically less than 30 min. This opens the door to future time-resolved experiments with maximum detection efficiency.

  6. Electronic states on the clean and oxygen-covered molybdenum (110) surface measured using time-of-flight momentum microscopy

    International Nuclear Information System (INIS)

    Chernov, Sergii

    2016-01-01

    Recent experiments discovered a new class of materials called topological insulators and started an extensive investigation in order to find more materials of such type and to understand and explore the opening perspectives in fundamental science and application. These materials exhibit a Dirac-type (massless) electronic state, bridging the fundamental band gap. Surprisingly, a strongly spin-polarized surface state with linear dispersion resembling that of Dirac type was found on the already well-investigated W(110) surface. This rose the question of the existence of the same non-trivial electron state on other metal surfaces. The present work describes the investigation of surface electronic states on the Mo(110) surface, their dispersion and transformation upon surface oxidation. This system is isoelectronic to the case of W(110) but due to the lower atomic number the spin-orbit interaction responsible for local band gap formation is substantially decreased by a factor of 5. The Mo(110) surface was shown to exhibit a linearly dispersing state quite similar to the one on W(110), but within a smaller energy range of 120 meV, with the Dirac point lying in the center of a local band gap in k-space. The experimental investigations were performed with the help of momentum microscopy, using a Ti:sapphire laser in the lab and synchrotron radiation at BESSY II, Berlin. The results show good agreement with theoretical calculations of the band structure and photoemission patterns for clean Mo(110). The fully parallel 3D acquisition scheme allowed to visualize the full surface Brillouin zone of the sample up to few eV binding energy within a single exposure of typically less than 30 min. This opens the door to future time-resolved experiments with maximum detection efficiency.

  7. Microfour-point probe for studying electronic transport through surface states

    DEFF Research Database (Denmark)

    Petersen, Christian Leth; Grey, Francois; Shiraki, I.

    2000-01-01

    Microfour-point probes integrated on silicon chips have been fabricated with probe spacings in the range 4-60 mum. They provide a simple robust device for electrical transport measurements at surfaces, bridging the gap between conventional macroscopic four-point probes and scanning tunneling...... transport through surface states, which is not observed on the macroscopic scale, presumably due to scattering at atomic steps. (C) 2000 American Institute of Physics....

  8. Electron microscopy of surfaces

    International Nuclear Information System (INIS)

    Venables, J.A.

    1981-01-01

    Electron beam techniques used to study clean surfaces and surface processes on a microscopic scale are reviewed. Recent experimental examples and possible future developments are discussed. Special emphasis is given to (i) transmission diffraction and microscopy techniques, including atomic imaging; (ii) Auger microscopy on bulk and thin film samples; (iii) secondary electron microscopy, especially low energy secondaries for work-function imaging and photoelectron imaging; and (iv) reflection electron microscopy and diffraction. (orig.)

  9. Surface electrons of helium films

    International Nuclear Information System (INIS)

    Studart, N.; Hipolito, O.

    1986-01-01

    Theoretical calculations of some properties of two-dimensional electrons on a liquid helium film adsorbed on a solid substrate are reviewed. We describe the spectrum of electron bound states on bulk helium as well on helium films. The correlational properties, such as the structure factor and correlation energy, are determined as functions of the film thickness for different types of substrates in the framework of a Generalized Random-Phase Approximation. The collective excitations of this system are also described. The results for electrons on the surface of thin films and bulk helium are easily obtained. we examine the electron interaction with the excitations of the liquid helium surface resulting in a new polaron state, which was observed very recently. The ground state energy and the effective mass of this polaron are determined by using the path-integral formalism and unitary-transformation method. Recent speculations about the phase diagram of electrons on the helium film are also discussed. (Author) [pt

  10. Electrons on the surface of liquid helium

    International Nuclear Information System (INIS)

    Lambert, D.K.

    1979-05-01

    Spectroscopic techniques were used to study transitions of electrons between bound states in the potential well near a helium surface. The charge density distribution of electrons on the surface was independently obtained from electrical measurements. From the measurements, information was obtained both about the interaction of the bound state electrons with the surface of liquid helium and about local disorder in the positions of electrons on the surface

  11. Electronic excited states as a probe of surface adsorbate structure and dynamics in liquid xenon

    Energy Technology Data Exchange (ETDEWEB)

    Peterson, E.S.

    1992-08-01

    A combination of second harmonic generation (SHG) and a simple dipole-dipole interaction model is presented as a new technique for determining adsorbate geometries on surfaces. The polarization dependence of SHG is used to define possible geometries of the adsorbate about the surface normal. Absorption band shifts using geometry constraints imposed by SHG data are derived for a dimer constructed from two arbitrarily placed monomers on the surface using the dipole-dipole interaction potential. These formulae can be used to determine the orientation of the two monomers relative to each other. A simplified version of this formalism is used to interpret absorption band shifts for rhodamine B adsorbed on fused silica. A brief history of the exciton is given with particular detail to Xe. Data are presented for transient absorption at RT in liquid xenon on the picosecond time scale. These are observations of both tunneling through the barrier that separates the free and trapped exciton states and the subsequent trapping of the exciton. In high densities both of these processes are found to occur within 2 to 6 picoseconds in agreement with theories of Kmiecik and Schreiber and of Martin. A threshold density is observed that separates relaxation via single binary collisions and relaxation that proceeds via Martin's resonant energy transfer hopping mechanism.

  12. Electronic excited states as a probe of surface adsorbate structure and dynamics in liquid xenon

    Energy Technology Data Exchange (ETDEWEB)

    Peterson, Eric Scott [Univ. of California, Berkeley, CA (United States)

    1992-08-01

    A combination of second harmonic generation (SHG) and a simple dipole-dipole interaction model is presented as a new technique for determining adsorbate geometries on surfaces. The polarization dependence of SHG is used to define possible geometries of the adsorbate about the surface normal. Absorption band shifts using geometry constraints imposed by SHG data are derived for a dimer constructed from two arbitrarily placed monomers on the surface using the dipole-dipole interaction potential. These formulae can be used to determine the orientation of the two monomers relative to each other. A simplified version of this formalism is used to interpret absorption band shifts for rhodamine B adsorbed on fused silica. A brief history of the exciton is given with particular detail to Xe. Data are presented for transient absorption at RT in liquid xenon on the picosecond time scale. These are observations of both tunneling through the barrier that separates the free and trapped exciton states and the subsequent trapping of the exciton. In high densities both of these processes are found to occur within 2 to 6 picoseconds in agreement with theories of Kmiecik and Schreiber and of Martin. A threshold density is observed that separates relaxation via single binary collisions and relaxation that proceeds via Martin`s resonant energy transfer hopping mechanism.

  13. Spin polarized electronic states and spin textures at the surface of oxygen-deficient SrTiO3

    Science.gov (United States)

    Jeschke, Harald O.; Altmeyer, Michaela; Rozenberg, Marcelo; Gabay, Marc; Valenti, Roser

    We investigate the electronic structure and spin texture at the (001) surface of SrTiO3 in the presence of oxygen vacancies by means of ab initio density functional theory (DFT) calculations of slabs. Relativistic non-magnetic DFT calculations exhibit Rashba-like spin winding with a characteristic energy scale ~ 10 meV. However, when surface magnetism on the Ti ions is included, bands become spin-split with an energy difference ~ 100 meV at the Γ point. This energy scale is comparable to the observations in SARPES experiments performed on the two-dimensional electronic states confined near the (001) surface of SrTiO3. We find the spin polarized state to be the ground state of the system, and while magnetism tends to suppress the effects of the relativistic Rashba interaction, signatures of it are still clearly visible in terms of complex spin textures. We gratefully acknowledge financial support from the Deutsche Forschungsgemeinschaft through grants SFB/TR 49 and FOR 1346.

  14. Electron-phonon coupling at metal surfaces

    International Nuclear Information System (INIS)

    Hellsing, B.; Eiguren, A.; Chulkov, E.V.

    2002-01-01

    Chemical reactions at metal surfaces are influenced by inherent dissipative processes which involve energy transfer between the conduction electrons and the nuclear motion. We shall discuss how it is possible to model this electron-phonon coupling in order to estimate its importance. A relevant quantity for this investigation is the lifetime of surface-localized electron states. A surface state, quantum well state or surface image state is located in a surface-projected bandgap and becomes relatively sharp in energy. This makes a comparison between calculations and experimental data most attractive, with a possibility of resolving the origin of the lifetime broadening of electron states. To achieve more than an order of magnitude estimate we point out the importance of taking into account the phonon spectrum, electron surface state wavefunctions and screening of the electron-ion potential. (author)

  15. Ab-initio investigation of structural, electronic and optical properties BSb compound in bulk and surface (110 states

    Directory of Open Access Journals (Sweden)

    H A Badehian

    2015-07-01

    Full Text Available In recent work the structural, electronic and optical properties of BSb compound in bulk and surface (110 states have been studied. Calculations have been performed using Full-Potential Augmented Plane Wave (FP-LAPW method by WIEN2k code in Density Functional Theory (DFT framework. The structural properties of the bulk such as lattice constant, bulk module and elastic constants have been investigated using four different approximations. The band gap energy of the bulk and the (110 surface of BSb were obtained about 1.082 and 0.38 eV respectively. Moreover the surface energy, the work function, the surface relaxation, surface state and the band structure of BSb (110 were investigated using symmetric and stoichiometric 15 layers slabs with the vacuum of 20 Bohr. In addition, the real and imaginary parts of the dielectric function of the bulk and the BSb (110 slab were calculated and compared to each other. Our obtained results have a good agreement with the available results.

  16. Splitting Fermi Surfaces and Heavy Electronic States in Non-Centrosymmetric U3Ni3Sn4

    Science.gov (United States)

    Maurya, Arvind; Harima, Hisatomo; Nakamura, Ai; Shimizu, Yusei; Homma, Yoshiya; Li, DeXin; Honda, Fuminori; Sato, Yoshiki J.; Aoki, Dai

    2018-04-01

    We report the single-crystal growth of the non-centrosymmetric paramagnet U3Ni3Sn4 by the Bridgman method and the Fermi surface properties detected by de Haas-van Alphen (dHvA) experiments. We have also investigated single-crystal U3Ni3Sn4 by single-crystal X-ray diffraction, magnetization, electrical resistivity, and heat capacity measurements. The angular dependence of the dHvA frequencies reveals many closed Fermi surfaces, which are nearly spherical in topology. The experimental results are in good agreement with local density approximation (LDA) band structure calculations based on the 5f-itinerant model. The band structure calculation predicts many Fermi surfaces, mostly with spherical shape, derived from 12 bands crossing the Fermi energy. To our knowledge, the splitting of Fermi surfaces due to the non-centrosymmetric crystal in 5f-electron systems is experimentally detected for the first time. The temperature dependence of the dHvA amplitude reveals a large cyclotron effective mass of up to 35 m0, indicating the heavy electronic state of U3Ni3Sn4 due to the proximity of the quantum critical point. From the field dependence of the dHvA amplitude, a mean free path of conduction electrons of up to 1950 Å is detected, reflecting the good quality of the grown crystal. The small splitting energy related to the antisymmetric spin-orbit interaction is most likely due to the large cyclotron effective mass.

  17. Localized electronic states at grain boundaries on the surface of graphene and graphite

    DEFF Research Database (Denmark)

    Luican-Mayer, Adina; Barrios-Vargas, Jose E.; Falkenberg, Jesper Toft

    2016-01-01

    ecent advances in large-scale synthesis of graphene and other 2D materials have underscored the importance of local defects such as dislocations and grain boundaries (GBs), and especially their tendency to alter the electronic properties of the material. Understanding how the polycrystalline morp...

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

    International Nuclear Information System (INIS)

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

    2011-01-01

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

  19. High resolution spectroscopy on adsorbed molecules on a Ni (110)-surface: vibrational states and electronic levels

    International Nuclear Information System (INIS)

    Kardinal, I.

    1998-01-01

    The complementary techniques of HR-XPS and HREELS have been applied to two distinct problems. The first studies adsorption and dissociation of C 2 N 2 on Ni (110) at room temperature (RT) and at 90 K and its co-adsorption with CO. At RT C 2 N 2 dissociates and forms a c(2x2)-CN structure. The resulting CN is found to be bound in the grooves of the (110) surface yielding the lowest C-N vibrational energy yet observed. C 2 N 2 was found to dissociate even at 90 K however the resulting CN overlayer after warming to RT showed remarkable differences to that of the RT adsorption. As well as the in-groove species a number of adsorption sites on the ridges with a bond order higher have been identified. Preadsorbed CO is completely driven of the Ni (110) surface by co-adsorption of CN at RT. HREELS indicates that first CO is desorbed from the on-top-sites and then from the bridge-sites of the (110)-ridges involving a considerable increase of the HREELS cross section for the CO on the bridge-sites. Also the signal intensity of the coadsorbed CN is suppressed by the CO present on the surface. The second study investigated the adsorption of bithiophene (BiT) on clean Ni (110) and the S-modified c(2x2)-S-Ni (110) and p(4x1)-S-Ni (110). The latter provided a strongly structured substrate which forced the assembly of the adsorbed BiT-molecules. The high degree of order of this adsorbate/substrate system was obvious in both the HR-XPS results and the BREELS results with strong azimuthal anisotropy. This system was used to asses the ability to use the HREELS impact selection rules to determine molecular orientation of a reasonably complex adsorbate overlayer. (author)

  20. Electron-electron coincidence spectroscopies at surfaces

    International Nuclear Information System (INIS)

    Stefani, G.; Iacobucci, S.; Ruocco, A.; Gotter, R.

    2002-01-01

    In the past 20 years, a steadily increasing number of electron-electron coincidence experiments on atoms and molecules have contributed to a deeper understanding of electron-electron correlation effects. In more recent years this technique has been extended to the study of solid surfaces. This class of one photon IN two electrons OUT experiments will be discussed with an emphasis on grazing incidence geometry, that is expected to be particularly suited for studying surfaces. The crucial question of which is the dominant mechanism that leads to ejection of pairs of electron from the surface will be addressed. It will be shown that, depending on the kinematics chosen, the correlated behaviour of the pairs of electrons detected might be singled out from independent particle one

  1. Two electron Rydberg states

    International Nuclear Information System (INIS)

    Cooke, W.E.

    1981-01-01

    This paper addresses the study of two-electron Rydberg atoms. With Multichannel Quantum Defect Theory (MQDT), there is a technique for characterizing a spectra in terms of a small number of parameters. A survey of some important effects specific to two-electon Rydberg states, using primarily the alkaline earth atoms for examples, is made. The remainder of the paper deals with a discussion of the electron-electron interaction, including some of the basic points of MQDT. Energy exchange between two electrons is also addressed

  2. Investigation of the surface chemical and electronic states of pyridine-capped CdSe nanocrystal films after plasma treatments using H2, O2, and Ar gases

    International Nuclear Information System (INIS)

    Wang, Seok-Joo; Kim, Hyuncheol; Park, Hyung-Ho; Lee, Young-Su; Jeon, Hyeongtag; Chang, Ho Jung

    2010-01-01

    Surface chemical bonding and the electronic states of pyridine-capped CdSe nanocrystal films were evaluated using x-ray photoelectron spectroscopy and ultraviolet photoelectron spectroscopy before and after plasma treatments using H 2 , O 2 , and Ar gases from the viewpoint of studying the effects of surface capping organic molecules and surface oxidation. Surface capping organic molecules could be removed during the plasma treatment due to the chemical reactivity, ion energy transfer, and vacuum UV (VUV) of the plasma gases. With O 2 plasma treatment, surface capping organic molecules were effectively removed but substantial oxidation of CdSe occurred during the plasma treatment. The valence band maximum energy (E VBM ) of CdSe nanocrystal films mainly depends on the apparent size of pyridine-capped CdSe nanocrystals, which controls the interparticle distance, and also on the oxidation of CdSe nanocrystals. Cd-rich surface in O 2 and H 2 plasma treatments partially would compensate for the decrease in E VBM . After Ar plasma treatment, the smallest value of E VBM resulted from high VUV photon flux, short wavelength, and ion energy transfer. The surface bonding states of CdSe had a strong influence on the electronic structure with the efficient strip of capping molecules as well as different surface oxidations and surface capping molecule contents.

  3. Observation of topological surface states and strong electron/hole imbalance in extreme magnetoresistance compound LaBi

    Science.gov (United States)

    Jiang, J.; Schröter, N. B. M.; Wu, S.-C.; Kumar, N.; Shekhar, C.; Peng, H.; Xu, X.; Chen, C.; Yang, H. F.; Hwang, C.-C.; Mo, S.-K.; Felser, C.; Yan, B. H.; Liu, Z. K.; Yang, L. X.; Chen, Y. L.

    2018-02-01

    The recent discovery of the extreme magnetoresistance (XMR) in the nonmagnetic rare-earth monopnictides La X (X = P, As, Sb, Bi,), a recently proposed new topological semimetal family, has inspired intensive research effort in the exploration of the correlation between the XMR and their electronic structures. In this work, using angle-resolved photoemission spectroscopy to investigate the three-dimensional band structure of LaBi, we unraveled its topologically nontrivial nature with the observation of multiple topological surface Dirac fermions, as supported by our ab initio calculations. Furthermore, we observed substantial imbalance between the volume of electron and hole pockets, which rules out the electron-hole compensation as the primary cause of the XMR in LaBi.

  4. Surface hopping with a manifold of electronic states. II. Application to the many-body Anderson-Holstein model

    Energy Technology Data Exchange (ETDEWEB)

    Dou, Wenjie; Subotnik, Joseph E. [Department of Chemistry, University of Pennsylvania, Philadelphia, Pennsylvania 19104 (United States); Nitzan, Abraham [School of Chemistry, The Sackler Faculty of Science, Tel Aviv University, Tel Aviv 69978 (Israel)

    2015-02-28

    We investigate a simple surface hopping (SH) approach for modeling a single impurity level coupled to a single phonon and an electronic (metal) bath (i.e., the Anderson-Holstein model). The phonon degree of freedom is treated classically with motion along–and hops between–diabatic potential energy surfaces. The hopping rate is determined by the dynamics of the electronic bath (which are treated implicitly). For the case of one electronic bath, in the limit of small coupling to the bath, SH recovers phonon relaxation to thermal equilibrium and yields the correct impurity electron population (as compared with numerical renormalization group). For the case of out of equilibrium dynamics, SH current-voltage (I-V) curve is compared with the quantum master equation (QME) over a range of parameters, spanning the quantum region to the classical region. In the limit of large temperature, SH and QME agree. Furthermore, we can show that, in the limit of low temperature, the QME agrees with real-time path integral calculations. As such, the simple procedure described here should be useful in many other contexts.

  5. Diamond surface: atomic and electronic structure

    International Nuclear Information System (INIS)

    Pate, B.B.

    1984-01-01

    Experimental studies of the diamond surface (with primary emphasis on the (111) surface) are presented. Aspects of the diamond surface which are addressed include (1) the electronic structure, (2) the atomic structure, and (3) the effect of termination of the lattice by foreign atoms. Limited studies of graphite are discussed for comparison with the diamond results. Experimental results from valence band and core level photoemission spectroscopy (PES), Auger electron spectroscopy (AES), low energy electron diffraction (LEED), and carbon 1s near edge x-ray absorption fine structure (NEXAFS) spectroscopy (both the total electron yield (TEY) and Auger electron yield (AEY) techniques) are used to study and characterize both the clean and hydrogenated surface. In addition, the interaction of hydrogen with the diamond surface is examined using results from vibrational high resolution low energy electron loss spectroscopy (in collaboration with Waclawski, Pierce, Swanson, and Celotta at the National Bureau of Standards) and photon stimulated ion desorption (PSID) yield at photon energies near the carbon k-edge (hv greater than or equal to 280 eV). Both EELS and PSID verify that the mechanically polished 1 x 1 surface is hydrogen terminated and also that the reconstructed surface is hydrogen free. The (111) 2 x 2/2 x 1 reconstructed surface is obtained from the hydrogenated (111) 1 x 1:H surface by annealing to approx. = 1000 0 C. We observe occupied intrinsic surface states and a surface chemical shift (0.95 +- 0.1 eV) to lower binding energy of the carbon 1s level on the hydrogen-free reconstructed surface. Atomic hydrogen is found to be reactive with the reconstructed surface, while molecular hydrogen is relatively inert. Exposure of the reconstructed surface to atomic hydrogen results in chemisorption of hydrogen and removal of the intrinsic surface state emission in and near the band gap region

  6. [Inelastic electron scattering from surfaces

    International Nuclear Information System (INIS)

    1993-01-01

    This program uses ab-initio and multiple scattering to study surface dynamical processes; high-resolution electron-energy loss spectroscopy is used in particular. Off-specular excitation cross sections are much larger if electron energies are in the LEED range (50--300 eV). The analyses have been extended to surfaces of ordered alloys. Phonon eigenvectors and eigenfrequencies were used as inputs to electron-energy-loss multiple scattering cross section calculations. Work on low-energy electron and positron holography is mentioned

  7. Photoreactivity of ZnO nanoparticles in visible light: Effect of surface states on electron transfer reaction

    International Nuclear Information System (INIS)

    Baruah, Sunandan; Dutta, Joydeep; Sinha, Sudarson Sekhar; Ghosh, Barnali; Pal, Samir Kumar; Raychaudhuri, A. K.

    2009-01-01

    Wide band gap metal oxide semiconductors such as zinc oxide (ZnO) show visible band photolysis that has been employed, among others, to degrade harmful organic contaminants into harmless mineral acids. Metal oxides show enhanced photocatalytic activity with the increase in electronic defects in the crystallites. By introducing defects into the crystal lattice of ZnO nanoparticles, we observe a redshift in the optical absorption shifting from the ultraviolet region to the visible region (400-700 nm), which is due to the creation of intermediate defect states that inhibit the electron hole recombination process. The defects were introduced by fast nucleation and growth of the nanoparticles by rapid heating using microwave irradiation and subsequent quenching during the precipitation reaction. To elucidate the nature of the photodegradation process, picosecond resolved time correlated single photon count (TCSPC) spectroscopy was carried out to record the electronic transitions resulting from the de-excitation of the electrons to their stable states. Photodegradation and TCSPC studies showed that defect engineered ZnO nanoparticles obtained through fast crystallization during growth lead to a faster initial degradation rate of methylene blue as compared to the conventionally synthesized nanoparticles

  8. Occupied and unoccupied electronic states on vicinal Si(111) surfaces decorated with monoatomic gold chains; Besetzte und unbesetzte elektronische Zustaende vizinaler Si(111)-Oberflaechen mit atomaren Goldketten

    Energy Technology Data Exchange (ETDEWEB)

    Biedermann, Kerstin

    2012-07-12

    In this work, the occupied and unoccupied electronic states of vicinal Si(111)-Au surfaces were investigated. The research focused on amending the experimental electronic band structure by two-photon photoemission and laser-based photoemission and bringing it in line with theoretical band structure calculations. This work dealt with the Si(553)-Au, the Si(111)-(5x2)-Au and the Si(557)-Au surface. Angle-resolved UV-photoelectron spectroscopy gave access to the occupied part of the band structure and thus to the energetic position, the dispersion and the symmetry of the occupied states. Bichromatic two-photon photoemission, however, revealed information about the energetics and, in addition, about the dynamics of unoccupied states on a femtosecond timescale. Notably, the selective polarization of the laser pulses allowed for distinguishing and classifying many of the states with respect to their symmetry. All three surfaces exhibited both surface and bulk states in the occupied part of the band structure. They could be clearly identified and separated from surface contributions by means of tight-binding calculations of the bulk band structure of silicon and by comparison to each other. An added similarity of these surfaces are the one-dimensional Rashba-split gold states, which definitely show dispersion along the chains but not perpendicular to them. All surfaces exhibit states which can easily be assigned to the gold chains. Additional features, however, cannot be attributed clearly to the characteristics of the complex surface reconstruction in all cases. An assignment to surface states was only successfully accomplished for Si(553)-Au. The primary emphasis of this photoemission study was on the Si(553)-Au surface, which shows the smallest defect density in comparison to the other surfaces and hence exhibits the sharpest peaks in the experimental spectra. In accordance with ab-initio band structure calculations this surface also displays, in addition to one

  9. The inter-adsorbate interaction mediated by Shockley-type surface state electrons and dipole moment: Cs and Ba atoms absorbed on Ag (1 1 1) films

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Shuyuan [College of Physical Science and Technology, Sichuan University, Chengdu 610065 (China); Zhang, Hong, E-mail: hongzhang@scu.edu.cn [College of Physical Science and Technology, Sichuan University, Chengdu 610065 (China); Key Laboratory of High Energy Density Physics and Technology of Ministry of Education, Sichuan University, Chengdu 610064 (China); Miyamoto, Yoshiyuki [Nanosystem Research Institute, National Institute of Advanced Industrial Science and Technology (AIST), Central 2, 1-1-1 Umezono, Tsukuba 305-8568 (Japan)

    2014-01-15

    Through first-principles investigation, we display the formation process of Shockley-type surface states which emerges on silver thin films along Ag (1 1 1) orientation with increasing thicknesses from 6 to 21 layers. We look at the surface state band for various adatoms adsorbed on 6, 12, 18 layers strained Ag (1 1 1) films with different coverage, and discuss the long range interaction mediated by surface state electrons. We discovered that film's thickness can modulate the surface state mediated interaction drastically, but the dipole–dipole repulsive interaction is not affected by slab thickness. This factor had never been discussed in detail. Therefore, adatoms adsorbed on thin films have strong attractive interaction which leads to small adsorption separation and the tendency of island formation. For different coverage or different adsorbate types, both surface states and dipole moment are modulated. The three factors, film's thickness, adsorbate coverage and adatoms types, could help us learn more about the interactions between adatoms and exploit advanced ways to control surface geometry structures of self-assembly.

  10. The inter-adsorbate interaction mediated by Shockley-type surface state electrons and dipole moment: Cs and Ba atoms absorbed on Ag (1 1 1) films

    International Nuclear Information System (INIS)

    Zhang, Shuyuan; Zhang, Hong; Miyamoto, Yoshiyuki

    2014-01-01

    Through first-principles investigation, we display the formation process of Shockley-type surface states which emerges on silver thin films along Ag (1 1 1) orientation with increasing thicknesses from 6 to 21 layers. We look at the surface state band for various adatoms adsorbed on 6, 12, 18 layers strained Ag (1 1 1) films with different coverage, and discuss the long range interaction mediated by surface state electrons. We discovered that film's thickness can modulate the surface state mediated interaction drastically, but the dipole–dipole repulsive interaction is not affected by slab thickness. This factor had never been discussed in detail. Therefore, adatoms adsorbed on thin films have strong attractive interaction which leads to small adsorption separation and the tendency of island formation. For different coverage or different adsorbate types, both surface states and dipole moment are modulated. The three factors, film's thickness, adsorbate coverage and adatoms types, could help us learn more about the interactions between adatoms and exploit advanced ways to control surface geometry structures of self-assembly.

  11. Surface states in an external electric field

    International Nuclear Information System (INIS)

    Steslicka, M.

    1975-10-01

    Under conditions typical for field ion microscopy, true surface states can exist. Their shift towards higher energies can be quite significant and, moreover, additional surface levels at still higher energies can appear. The latter can play an important role in the process of tunneling of image gas electrons into surface states

  12. Fermi Surface Properties of Eu-Divalent and Eu-Trivalent Electronic States with the AuCu3-type Cubic Structure

    International Nuclear Information System (INIS)

    Nakamura, Ai; Takeuchi, Tetsuya; Tatetsu, Yasutomi; Maehira, Takahiro; Hedo, Masato; Nakama, Takao; Ōnuki, Yoshichika; Harima, Hisatomo

    2015-01-01

    The electronic states in EuBi 3 and EuPd 3 are known to be Eu-divalent and Eu- trivalent, respectively, from the previous studies using polycrystal samples. In the present study, we succeeded in growing high-quality single crystals, and carried out the de Haas-van Alphen (dHvA) measurements and energy band calculations to clarify the Fermi surface properties

  13. Separating Bulk and Surface Contributions to Electronic Excited-State Processes in Hybrid Mixed Perovskite Thin Films via Multimodal All-Optical Imaging.

    Science.gov (United States)

    Simpson, Mary Jane; Doughty, Benjamin; Das, Sanjib; Xiao, Kai; Ma, Ying-Zhong

    2017-07-20

    A comprehensive understanding of electronic excited-state phenomena underlying the impressive performance of solution-processed hybrid halide perovskite solar cells requires access to both spatially resolved electronic processes and corresponding sample morphological characteristics. Here, we demonstrate an all-optical multimodal imaging approach that enables us to obtain both electronic excited-state and morphological information on a single optical microscope platform with simultaneous high temporal and spatial resolution. Specifically, images were acquired for the same region of interest in thin films of chloride containing mixed lead halide perovskites (CH 3 NH 3 PbI 3-x Cl x ) using femtosecond transient absorption, time-integrated photoluminescence, confocal reflectance, and transmission microscopies. Comprehensive image analysis revealed the presence of surface- and bulk-dominated contributions to the various images, which describe either spatially dependent electronic excited-state properties or morphological variations across the probed region of the thin films. These results show that PL probes effectively the species near or at the film surface.

  14. Unoccupied surface electronic structure of Gd(0001)

    International Nuclear Information System (INIS)

    Li, D.; Dowben, P.A.; Ortega, J.E.; Himpsel, F.J.

    1994-01-01

    The unoccupied surface electronic structure of Gd(0001) was investigated with high-resolution inverse-photoemission spectroscopy. An empty surface state near E F is observed at bar Γ. Two other surface-sensitive features are also revealed at 1.2 and 3.1 eV above the Fermi level. Hydrogen adsorption on Gd surfaces was used to distinguish the surface-sensitive features from the bulk features. The unoccupied bulk-band critical points are determined to be Γ 3 + at 1.9 eV and A 1 at 0.8 eV

  15. Theory of quasiparticle surface states in semiconductor surfaces

    International Nuclear Information System (INIS)

    Hybertsen, M.S.; Louie, S.G.

    1988-01-01

    A first-principles theory of the quasiparticle surface-state energies on semiconductor surfaces is developed. The surface properties are calculated using a repeated-slab geometry. Many-body effects due to the electron-electron interaction are represented by the electron self-energy operator including the full surface Green's function and local fields and dynamical screening effects in the Coulomb interaction. Calculated surface-state energies for the prototypical Si(111):As and Ge(111):As surfaces are presented. The calculated energies and dispersions for the occupied surface states (resonances) are in excellent agreement with recent angle-resolved photoemission data. Predictions are made for the position of empty surface states on both surfaces which may be experimentally accessible. The resulting surface state gap at Gamma-bar for Si(111):As agrees with recent scanning-tunneling-spectroscopy measurements. Comparison of the present results to eigenvalues from the local-density-functional calculation reveals substantial corrections for the gaps between empty and occupied surface states. This correction is found to depend on the character of the surface states involved

  16. STM imaging of electronic waves on the surface of Bi2Te3: topologically protected surface states and hexagonal warping effects

    Energy Technology Data Exchange (ETDEWEB)

    Alpichshev, Zhanybek; /SIMES, Stanford /SLAC /Stanford U., Phys. Dept.; Analytis, J.G.; /SIMES, Stanford /SLAC /Stanford U., Phys. Dept.; Chu, J.-H.; Fisher, I.R.; /SIMES, Stanford /SLAC /Stanford U., Phys. Dept. /Stanford U., Appl. Phys. Dept.; Chen, Y.L.; /SIMES, Stanford /SLAC /Stanford U., Phys. Dept.; Shen, Z.X.; /SIMES, Stanford /SLAC /Stanford U., Phys. Dept. /Stanford U., Appl. Phys. Dept.; Fang, A.; /Stanford U., Phys. Dept. /Stanford U., Appl. Phys. Dept.; Kapitulnik, A.; /SIMES, Stanford /SLAC /Stanford U., Phys. Dept. /Stanford U., Appl. Phys. Dept.

    2010-06-02

    Scanning tunneling spectroscopy studies on high-quality Bi{sub 2}Te{sub 3} crystals exhibit perfect correspondence to ARPES data, hence enabling identification of different regimes measured in the local density of states (LDOS). Oscillations of LDOS near a step are analyzed. Within the main part of the surface band oscillations are strongly damped, supporting the hypothesis of topological protec- tion. At higher energies, as the surface band becomes concave, oscillations appear which disperse with a particular wave-vector that may result from an unconventional hexagonal warping term.

  17. Ab initio potential energy surface, electric-dipole moment, polarizability tensor, and theoretical rovibrational spectra in the electronic ground state of {sup 14}NH{sub 3}{sup +}

    Energy Technology Data Exchange (ETDEWEB)

    Yurchenko, Sergei N. [Technische Universitaet Dresden, Institut fuer Physikalische Chemie und Elektrochemie, D-01062 Dresden (Germany); Thiel, Walter [Max-Planck-Institut fuer Kohlenforschung, Kaiser-Wilhelm-Platz 1, D-45470 Muelheim an der Ruhr (Germany); Carvajal, Miguel [Departamento de Fisica Aplicada, Facultad de Ciencias Experimentales, Avenida de las Fuerzas Armadas s/n, Universidad de Huelva, E-21071 Huelva (Spain); Jensen, Per [Theoretische Chemie, Bergische Universitaet, D-42097 Wuppertal (Germany)], E-mail: jensen@uni-wuppertal.de

    2008-05-04

    We report the calculation of a six-dimensional CCSD(T)/aug-cc-pVQZ potential energy surface for the electronic ground state of NH{sub 3}{sup +} together with the corresponding CCSD(T)/aug-cc-pVTZ dipole moment and polarizability surface of {sup 14}NH{sub 3}{sup +}. These electronic properties have been computed on a large grid of molecular geometries. A number of newly calculated band centers are presented along with the associated electric-dipole transition moments. We further report the first calculation of vibrational matrix elements of the polarizability tensor components for {sup 14}NH{sub 3}{sup +}; these matrix elements determine the intensities of Raman transitions. In addition, the rovibrational absorption spectra of the {nu}{sub 2}, {nu}{sub 3}, {nu}{sub 4}, 2{nu}{sub 2}-{nu}{sub 2}, and {nu}{sub 2}+{nu}{sub 3}-{nu}{sub 2} bands have been simulated.

  18. Surface states and spectra

    International Nuclear Information System (INIS)

    Jaksic, V.; Last, Y.; California Inst. of Tech., Pasadena, CA

    2001-01-01

    Let Z + d+1 =Z d x Z + , let H 0 be the discrete Laplacian on the Hilbert space l 2 (Z + d+1 ) with a Dirichlet boundary condition, and let V be a potential supported on the boundary ∂Z + d+1 . We introduce the notions of surface states and surface spectrum of the operator H=H 0 +V and explore their properties. Our main result is that if the potential V is random and if the disorder is either large or small enough, then in dimension two H has no surface spectrum on σ(H 0 ) with probability one. To prove this result we combine Aizenman-Molchanov theory with techniques of scattering theory. (orig.)

  19. Inelastic electron scattering from surfaces

    International Nuclear Information System (INIS)

    Tong, S.Y.; Mills, D.L.

    1992-01-01

    This report contains highlights of accomplishments of the past year, for the University of California, Irvine and the University of Wisconsin, Milwaukee collaboration on surface excitations, and their interactions with low energy electrons. In addition, we present a summary of future research to be carried out in the coming grant year

  20. Dynamics of electrons and holes at surfaces

    International Nuclear Information System (INIS)

    Chulkov, E.V.; Leonardo, A.; Sklyadneva, I.Yu.; Silkin, V.M.

    2007-01-01

    We present ab initio calculation results for electron-phonon (e-ph) contribution to hole lifetime broadening of the X-bar surface state on Al(0 0 1). We show that e-ph coupling in this state is significantly stronger than in bulk Al at the Fermi level. It makes the e-ph decay channel very important in the formation of the hole decay in the surface state at X-bar. We also present the results for e-e lifetime broadening in a quantum-well state in 1 ML K/Cu(1 1 1). We show that this contribution is not negligible and is much larger than that in a surface state on Ag(1 1 1)

  1. Electron curing of surface coatings

    International Nuclear Information System (INIS)

    Nablo, S.V.

    1974-01-01

    The technical development of electron curing of surface coatings has received great impetus since 1970 from dramatic changes in the economics of the conventional thermal process. The most important of these changes are reviewed, including: the Clear Air Act, increasing cost and restrictive allocation of energy, decreased availability and increased costs of solvents, competitive pressure for higher line productivity. The principles of free-radical initiated curing as they pertain to industrial coatings are reviewed. Although such electron initiated processes have been under active development for at least two decades, high volume production applications on an industrial scale have only recently appeared. These installations are surveyed with emphasis on the developments in machinery and coatings which have made this possible. The most significant economic advantages of electron curing are presented. In particular, the ability of electron curing to eliminate substrate damage and to eliminate the curing station (oven) as the pacing element for most industrial surface coating curing applications is discussed. Examples of several new processes of particular interest in the textile industry are reviewed, including the curing of transfer cast urethane films, flock adhesives, and graftable surface finishes

  2. [Inelastic electron scattering from surfaces

    International Nuclear Information System (INIS)

    1993-01-01

    This program is aimed at the quantitative study of surface dynamical processes (vibrational, magnetic excitations) in crystalline slabs, ultrathin-layered materials, and chemisorbed systems on substrates, and of the geometric structure connected to these dynamical excitations. High-resolution electron-energy loss spectroscopy (HREELS) is a powerful probe. Off-specular excitation cross sections are much larger if electron energies are in the LEED range (50-300 eV). The analyses has been used to study surfaces of ordered alloys (NiAl). Ab-initio surface lattice dynamical results were combined with phonon-loss cross sections to achieve a more accurate microscopic description. First-principles phonon eigenvectors and eigenfrequencies were used as inputs to electron-energy-loss multiple scattering cross-section calculations. The combined microscopic approach was used to analyze EELS data of Cu(0001) and Ag(001) at two points. Positron diffraction is discussed as a structural and imaging tool. The relation between geometric structure of a film and its local magnetic properties will be studied in the future, along with other things

  3. Electronic states of myricetin

    DEFF Research Database (Denmark)

    Vojta, Danijela; Karlsen, Eva; Spanget-Larsen, Jens

    2017-01-01

    Myricetin (3,3',4',5,5',7'-hexahydroxyflavone) was investigated by linear dichroism spectroscopy on molecular samples partially aligned in stretched poly(vinyl alcohol) (PVA). At least five electronic transitions in the range 40000 – 20000 cm–1 were characterized with respect to their wavenumbers......, relative intensities, and transition moment directions. The observed bands were assigned to electronic transitions predicted with TD-B3LYP/6-31+G(d,p)....

  4. STM/STS Measurements of Two-Dimensional Electronic States in Magnetic Fields at Epitaxially Grown InAs(111)A Surfaces

    International Nuclear Information System (INIS)

    Niimi, Y; Kanisawa, K; Kojima, H; Kambara, H; Hirayama, Y; Tarucha, S; Fukuyama, Hiroshi

    2007-01-01

    The local density of states (LDOS) at the epitaxially grown InAs surface on a GaAs substrate was studied at very low temperatures in magnetic fields up to 6 T by scanning tunneling microscopy and spectroscopy. We observed a series of peaks, associated with Landau quantization of the two-dimensional electron system (2DES), in the tunnel spectra just above the subband energy (-80 meV) of the 2DES. The intervals between the peaks are consistent with the estimation from the effective mass of the 2DES at the InAs surface. In a wider energy range, another type of oscillation which was independent of magnetic field was also observed. This oscillation can be explained by the energy dependence of the transmission probability of the tunneling current through the Schottky barrier formed at the interface between the InAs film and GaAs substrate

  5. Evolution of the SrTiO{sub 3} surface electronic state as a function of LaAlO{sub 3} overlayer thickness

    Energy Technology Data Exchange (ETDEWEB)

    Plumb, N.C.; Kobayashi, M. [Swiss Light Source, Paul Scherrer Insitut, CH-5232 Villigen PSI (Switzerland); Salluzzo, M. [CNR-SPIN, Complesso Universitario Monte S. Angelo, Via Cinthia, I-80126 Napoli (Italy); Razzoli, E.; Matt, C.E.; Strocov, V.N.; Zhou, K.J.; Shi, M. [Swiss Light Source, Paul Scherrer Insitut, CH-5232 Villigen PSI (Switzerland); Mesot, J. [Paul Scherrer Institut, CH-5232 Villigen PSI (Switzerland); Institut de la Matiere Complexe, EPF Lausanne, CH-1015 Lausanne (Switzerland); Laboratory for Solid State Physics, ETH Zürich, CH-8093 Zürich (Switzerland); Schmitt, T. [Swiss Light Source, Paul Scherrer Insitut, CH-5232 Villigen PSI (Switzerland); Patthey, L. [Swiss Light Source, Paul Scherrer Insitut, CH-5232 Villigen PSI (Switzerland); SwissFEL, Paul Scherrer Institut, CH-5232 Villigen PSI (Switzerland); Radović, M., E-mail: milan.radovic@psi.ch [Swiss Light Source, Paul Scherrer Insitut, CH-5232 Villigen PSI (Switzerland); Institut de la Matiere Complexe, EPF Lausanne, CH-1015 Lausanne (Switzerland); SwissFEL, Paul Scherrer Institut, CH-5232 Villigen PSI (Switzerland)

    2017-08-01

    Highlights: • The close similarities in the electronic structures of the metallic bare surface of STO and the buried interfaces (LAO/STO). • The similar spectroscopic responses of these systems to photon irradiation. • The emergence of 2 × 1 structural ordering in sufficiently thick LAO/STO interfaces. - Abstract: The novel electronic properties emerging at interfaces between transition metal oxides, and in particular the discovery of conductivity in heterostructures composed of LaAlO{sub 3} (LAO) and SrTiO{sub 3} (STO) band insulators, have generated new challenges and opportunities in condensed matter physics. Although the interface conductivity is stabilized when LAO matches or exceeds a critical thickness of 4 unit cells (uc), other phenomena such as a universal metallic state found on the bare surface of STO single crystals and persistent photon-triggered conductivity in otherwise insulating STO-based interfaces raise important questions about the role of the LAO overlayer and the possible relations between vacuum/STO and LAO/STO interfaces. Here, using angle-resolved photoemission spectroscopy (ARPES) on in situ prepared samples complemented by resonant inelastic X-ray scattering (RIXS), we study how the metallic STO surface state evolves during the growth of a crystalline LAO overlayer. In all the studied samples, the character of the conduction bands, their carrier densities, the Ti{sup 3+} crystal field, and the response to photon irradiation bear strong similarities. Nevertheless, we report here that studied LAO/STO interfaces exhibit an instability toward an apparent 2 × 1 folding of the Fermi surface at and above a 4 uc thickness threshold, which distinguishes these heterostructures from bare STO and sub-critical-thickness LAO/STO.

  6. Spin polarized electrons in surface science

    International Nuclear Information System (INIS)

    Siegmann, H.C.

    1983-01-01

    The potentialities of spin-polarised electron beams as a probe of surface magnetic properties are outlined. Elastic as well as inelastic scattering of electrons from solid surfaces are considered. (G.Q.)

  7. Surface-bound states in nanodiamonds

    Science.gov (United States)

    Han, Peng; Antonov, Denis; Wrachtrup, Jörg; Bester, Gabriel

    2017-05-01

    We show via ab initio calculations and an electrostatic model that the notoriously low, but positive, electron affinity of bulk diamond becomes negative for hydrogen passivated nanodiamonds and argue that this peculiar situation (type-II offset with a vacuum level at nearly midgap) and the three further conditions: (i) a surface dipole with positive charge on the outside layer, (ii) a spherical symmetry, and (iii) a dielectric mismatch at the surface, results in the emergence of a peculiar type of surface state localized just outside the nanodiamond. These states are referred to as "surface-bound states" and have consequently a strong environmental sensitivity. These type of states should exist in any nanostructure with negative electron affinity. We further quantify the band offsets of different type of nanostructures as well as the exciton binding energy and contrast the results with results for "conventional" silicon quantum dots.

  8. Contact lens surface by electron beam

    International Nuclear Information System (INIS)

    Shin, Jung Hyuck; Lee, Suk Ju; Hwang, Kwang Ha; Jeon Jin

    2011-01-01

    Contact lens materials needs good biocompatibility, high refractive index, high optical transparency, high water content etc. Surface treat method by using plasma and radiation can modify the physical and/or chemical properties of the contact lens surface. Radiation technology such as electron beam irradiation can apply to polymerization reaction and enhance the functionality of the polymer.The purpose of this study is to modify of contact lens surface by using Eb irradiation technology. Electron beam was irradiated to the contact lens surface which was synthesized thermal polymerization method and commercial contact lens to modify physical and chemical properties. Ft-IR, XP, UV-vis spectrophotometer, water content, oxygen trans-metastability were used to characterize the surface state, physicochemical, and optical property of the contact lens treated with Eb. The water content and oxygen transmissibility of the contact lens treated with Eb were increased due to increase in the hydrophilic group such as O-C=O and OH group on the contact lens surface which could be produced by possible reaction between carbon and oxygen during the Eb irradiation. All of the lenses showed the high optical transmittance above 90%. In this case of B/Es, TES, Ti contact lens, the optical transmittance decreased about 5% with increasing Eb dose in the wavelength of UV-B region. The contact lens modified by Eb irradiation could improve the physical properties of the contact lens such as water content and oxygen transmissibility

  9. Coherent states and rational surfaces

    International Nuclear Information System (INIS)

    Brody, Dorje C; Graefe, Eva-Maria

    2010-01-01

    The state spaces of generalized coherent states associated with special unitary groups are shown to form rational curves and surfaces in the space of pure states. These curves and surfaces are generated by the various Veronese embeddings of the underlying state space into higher dimensional state spaces. This construction is applied to the parameterization of generalized coherent states, which is useful for practical calculations, and provides an elementary combinatorial approach to the geometry of the coherent state space. The results are extended to Hilbert spaces with indefinite inner products, leading to the introduction of a new kind of generalized coherent states.

  10. Protection of surface states in topological nanoparticles

    Science.gov (United States)

    Siroki, Gleb; Haynes, Peter D.; Lee, Derek K. K.; Giannini, Vincenzo

    2017-07-01

    Topological insulators host protected electronic states at their surface. These states show little sensitivity to disorder. For miniaturization one wants to exploit their robustness at the smallest sizes possible. This is also beneficial for optical applications and catalysis, which favor large surface-to-volume ratios. However, it is not known whether discrete states in particles share the protection of their continuous counterparts in large crystals. Here we study the protection of the states hosted by topological insulator nanoparticles. Using both analytical and tight-binding simulations, we show that the states benefit from the same level of protection as those on a planar surface. The results hold for many shapes and sustain surface roughness which may be useful in photonics, spectroscopy, and chemistry. They complement past studies of large crystals—at the other end of possible length scales. The protection of the nanoparticles suggests that samples of all intermediate sizes also possess protected states.

  11. Electronically shielded solid state charged particle detector

    International Nuclear Information System (INIS)

    Balmer, D.K.; Haverty, T.W.; Nordin, C.W.; Tyree, W.H.

    1996-01-01

    An electronically shielded solid state charged particle detector system having enhanced radio frequency interference immunity includes a detector housing with a detector entrance opening for receiving the charged particles. A charged particle detector having an active surface is disposed within the housing. The active surface faces toward the detector entrance opening for providing electrical signals representative of the received charged particles when the received charged particles are applied to the active surface. A conductive layer is disposed upon the active surface. In a preferred embodiment, a nonconductive layer is disposed between the conductive layer and the active surface. The conductive layer is electrically coupled to the detector housing to provide a substantially continuous conductive electrical shield surrounding the active surface. The inner surface of the detector housing is supplemented with a radio frequency absorbing material such as ferrite. 1 fig

  12. Electron transfer in gas surface collisions

    International Nuclear Information System (INIS)

    Wunnik, J.N.M. van.

    1983-01-01

    In this thesis electron transfer between atoms and metal surfaces in general is discussed and the negative ionization of hydrogen by scattering protons at a cesiated crystalline tungsten (110) surface in particular. Experimental results and a novel theoretical analysis are presented. In Chapter I a theoretical overview of resonant electron transitions between atoms and metals is given. In the first part of chapter II atom-metal electron transitions at a fixed atom-metal distance are described on the basis of a model developed by Gadzuk. In the second part the influence of the motion of the atom on the atomic charge state is incorporated. Measurements presented in chapter III show a strong dependence of the fraction of negatively charged H atoms scattered at cesiated tungsten, on the normal as well as the parallel velocity component. In chapter IV the proposed mechanism for the parallel velocity effect is incorporated in the amplitude method. The scattering process of protons incident under grazing angles on a cesium covered surface is studied in chapter V. (Auth.)

  13. Electronic States in Thorium under Pressure

    DEFF Research Database (Denmark)

    Skriver, Hans Lomholt; Jan, J. P.

    1980-01-01

    We have used the local-density formalism and the atomic-sphere approximation to calculate self-consistently the electronic properties of thorium at pressures up to 400 kbar. The derived equation of state agrees very well with static pressure experiments and shock data. Below the Fermi level (EF......) the electronic band structure is formed by 7s and 6d states while the bottom of a relatively broad 5f band is positioned 0.07 Ry above EF. The calculated extremal areas of the Fermi surface and their calculated pressure dependence agree with earlier calculations and with de Haas-van Alphen measurements...

  14. High-Resolution Faraday Rotation and Electron-Phonon Coupling in Surface States of the Bulk-Insulating Topological Insulator Cu_{0.02}Bi_{2}Se_{3}.

    Science.gov (United States)

    Wu, Liang; Tse, Wang-Kong; Brahlek, M; Morris, C M; Aguilar, R Valdés; Koirala, N; Oh, S; Armitage, N P

    2015-11-20

    We have utilized time-domain magnetoterahertz spectroscopy to investigate the low-frequency optical response of the topological insulator Cu_{0.02}Bi_{2}Se_{3} and Bi_{2}Se_{3} films. With both field and frequency dependence, such experiments give sufficient information to measure the mobility and carrier density of multiple conduction channels simultaneously. We observe sharp cyclotron resonances (CRs) in both materials. The small amount of Cu incorporated into the Cu_{0.02}Bi_{2}Se_{3} induces a true bulk insulator with only a single type of conduction with a total sheet carrier density of ~4.9×10^{12}/cm^{2} and mobility as high as 4000 cm^{2}/V·s. This is consistent with conduction from two virtually identical topological surface states (TSSs) on the top and bottom of the film with a chemical potential ~145 meV above the Dirac point and in the bulk gap. The CR broadens at high fields, an effect that we attribute to an electron-phonon interaction. This assignment is supported by an extended Drude model analysis of the zero-field Drude conductance. In contrast, in normal Bi_{2}Se_{3} films, two conduction channels were observed, and we developed a self-consistent analysis method to distinguish the dominant TSSs and coexisting trivial bulk or two-dimensional electron gas states. Our high-resolution Faraday rotation spectroscopy on Cu_{0.02}Bi_{2}Se_{3} paves the way for the observation of quantized Faraday rotation under experimentally achievable conditions to push the chemical potential in the lowest Landau level.

  15. Introduction to solid state electronics

    CERN Document Server

    Wang, FFY

    1989-01-01

    This textbook is specifically tailored for undergraduate engineering courses offered in the junior year, providing a thorough understanding of solid state electronics without relying on the prerequisites of quantum mechanics. In contrast to most solid state electronics texts currently available, with their generalized treatments of the same topics, this is the first text to focus exclusively and in meaningful detail on introductory material. The original text has already been in use for 10 years. In this new edition, additional problems have been added at the end of most chapters. These proble

  16. Electronic structure of incident carbon ions on a graphite surface

    International Nuclear Information System (INIS)

    Kiuchi, Masato; Takeuchi, Takae; Yamamoto, Masao.

    1997-01-01

    The electronic structure of an incident carbon ion on a graphite surface is discussed on the basis of ab initio molecular orbital calculations. A carbon cation forms a covalent bond with the graphite, and a carbon nonion is attracted to the graphite surface through van der Waals interaction. A carbon anion has no stable state on a graphite surface. The charge effects of incident ions become clear upon detailed examination of the electronic structure. (author)

  17. Method for surface treatment by electron beams

    International Nuclear Information System (INIS)

    Panzer, S.; Doehler, H.; Bartel, R.; Ardenne, T. von.

    1985-01-01

    The invention has been aimed at simplifying the technology and saving energy in modifying surfaces with the aid of electron beams. The described beam-object geometry allows to abandon additional heat treatments. It can be used for surface hardening

  18. Electron-phonon interaction on an Al(001) surface

    International Nuclear Information System (INIS)

    Sklyadneva, I Yu; Chulkov, E V; Echenique, P M

    2008-01-01

    We report an ab initio study of the electron-phonon (e-ph) interaction and its contribution to the lifetime broadening of excited hole (electron) surface states on Al(001). The calculations based on density-functional theory were carried out using a linear response approach in the plane-wave pseudopotential representation. The obtained results show that both the electron-phonon coupling and the linewidth experience a weak variation with the energy and momentum position of a hole (electron) surface state in the energy band. An analysis of different contributions to the e-ph coupling reveals that bulk phonon modes turn out to be more involved in the scattering processes of excited electrons and holes than surface phonon modes. It is also shown that the role of the e-ph coupling in the broadening of the Rayleigh surface phonon mode is insignificant compared to anharmonic effects

  19. Surface structure and electronic states of epitaxial β-FeSi.sub.2./sub.(100)/Si(001) thin films: Combined quantitative LEED, ab initio DFT, and STM study

    Czech Academy of Sciences Publication Activity Database

    Romanyuk, Olexandr; Hattori, K.; Someta, M.; Daimon, H.

    2014-01-01

    Roč. 90, č. 15 (2014), "155305-1"-"155305-9" ISSN 1098-0121 Grant - others:AVČR(CZ) M100101201; Murata Science Foundation(JP) Project n. 00295 Institutional support: RVO:68378271 Keywords : iron silicide * LEED I-V * DFT * STM * surface reconstruction * surface states Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.736, year: 2014

  20. Surface states in photonic crystals

    Directory of Open Access Journals (Sweden)

    Vojtíšek P.

    2013-05-01

    Full Text Available Among many unusual and interesting physical properties of photonic crystals (PhC, in recent years, the propagation of surface electromagnetic waves along dielectric PhC boundaries have attracted considerable attention, also in connection to their possible applications. Such surfaces states, produced with the help of specialized defects on PhC boundaries, similarly to surfaces plasmons, are localized surfaces waves and, as such, can be used in various sensing applications. In this contribution, we present our recent studies on numerical modelling of surface states (SS for all three cases of PhC dimensionality. Simulations of these states were carried out by the use of plane wave expansion (PWE method via the MIT MPB package.

  1. Auger electron spectroscopy of alloy surfaces

    International Nuclear Information System (INIS)

    Overbury, S.H.; Somorjai, G.A.

    1975-03-01

    Regular solution models are used to predict surface segregation of the constituent of lowest surface free energy in homogeneous multicomponent systems. Analysis of the Auger electron emission intensities from alloys yield the surface composition and the depth distribution of the composition near the surface. Auger Electron Spectroscopy (AES) studies of the surface composition of the Ag--Au and Pb--In systems have been carried out as a function of bulk composition and temperature. Although these alloys have very different regular solution parameters their surface compositions are predictable by the regular solution models. (U.S.)

  2. Surface and interface electronic structure: Third year progress report, December 1, 1988--November 30, 1989

    International Nuclear Information System (INIS)

    Kevan, S.D.

    1989-01-01

    This paper discusses the following topics: linewidths of surface states and resonances; surface bonds and fermi surface of Pd(001); state-resonance transition of Ta(011); and electronic structure of W(010)-2H. 5 figs

  3. Secondary electron emission from textured surfaces

    Science.gov (United States)

    Huerta, C. E.; Patino, M. I.; Wirz, R. E.

    2018-04-01

    In this work, a Monte Carlo model is used to investigate electron induced secondary electron emission for varying effects of complex surfaces by using simple geometric constructs. Geometries used in the model include: vertical fibers for velvet-like surfaces, tapered pillars for carpet-like surfaces, and a cage-like configuration of interlaced horizontal and vertical fibers for nano-structured fuzz. The model accurately captures the secondary electron emission yield dependence on incidence angle. The model shows that unlike other structured surfaces previously studied, tungsten fuzz exhibits secondary electron emission yield that is independent of primary electron incidence angle, due to the prevalence of horizontally-oriented fibers in the fuzz geometry. This is confirmed with new data presented herein of the secondary electron emission yield of tungsten fuzz at incidence angles from 0-60°.

  4. Surfaces and interfaces of electronic materials

    CERN Document Server

    Brillson, Leonard J

    2012-01-01

    An advanced level textbook covering geometric, chemical, and electronic structure of electronic materials, and their applications to devices based on semiconductor surfaces, metal-semiconductor interfaces, and semiconductor heterojunctions. Starting with the fundamentals of electrical measurements on semiconductor interfaces, it then describes the importance of controlling macroscopic electrical properties by atomic-scale techniques. Subsequent chapters present the wide range of surface and interface techniques available to characterize electronic, optical, chemical, and structural propertie

  5. Surface electron structure of short-period semiconductor superlattice

    International Nuclear Information System (INIS)

    Bartos, I.; Czech Academy Science, Prague,; Strasser, T.; Schattke, W.

    2004-01-01

    Full text: Semiconductor superlattices represent man-made crystals with unique physical properties. By means of the directed layer-by-layer molecular epitaxy growth their electric properties can be tailored (band structure engineering). Longer translational periodicity in the growth direction is responsible for opening of new electron energy gaps (minigaps) with surface states and resonances localized at superlattice surfaces. Similarly as for the electron structure of the bulk, a procedure enabling to modify the surface electron structure of superlattices is desirable. Short-period superlattice (GaAs) 2 (AlAs) 2 with unreconstructed (100) surface is investigated in detail. Theoretical description in terms of full eigenfunctions of individual components has to be used. The changes of electron surface state energies governed by the termination of a periodic crystalline potential, predicted on simple models, are confirmed for this system. Large surface state shifts are found in the lowest minigap of the superlattice when this is terminated in four different topmost layer configurations. The changes should be observable in angle resolved photoelectron spectroscopy as demonstrated in calculations based on the one step model of photoemission. Surface state in the center of the two dimensional Brillouin zone moves from the bottom of the minigap (for the superlattice terminated by two bilayers of GaAs) to its top (for the superlattice terminated by two bilayers of AlAs) where it becomes a resonance. No surface state/resonance is found for a termination with one bilayer of AlAs. The surface state bands behave similarly in the corresponding gaps of the k-resolved section of the electron band structure. The molecular beam epitaxy, which enables to terminate the superlattice growth with atomic layer precision, provides a way of tuning the superlattice surface electron structure by purely geometrical means. The work was supported by the Grant Agency of the Academy of Sciences

  6. Electron emission from tungsten surface induced by neon ions

    International Nuclear Information System (INIS)

    Xu, Zhongfeng; Zeng, Lixia; Zhao, Yongtao; Liu, Xueliang; Xiao, Guoqing; Li, Fuli; Cheng, Rui; Zhang, Xiaoan; Ren, Jieru; Zhou, Xianming; Wang, Xing; Lei, Yu; Li, Yongfeng; Yu, Yang

    2014-01-01

    The electron emission from W surface induced by Ne q+ has been measured. For the same charge state, the electron yield gradually increases with the projectile velocity. Meanwhile, the effect of the potential energy of projectile has been found obviously. Our results give the critical condition for ''trampoline effect''

  7. Electron emission from tungsten surface induced by neon ions

    Science.gov (United States)

    Xu, Zhongfeng; Zeng, Lixia; Zhao, Yongtao; Cheng, Rui; Zhang, Xiaoan; Ren, Jieru; Zhou, Xianming; Wang, Xing; Lei, Yu; Li, Yongfeng; Yu, Yang; Liu, Xueliang; Xiao, Guoqing; Li, Fuli

    2014-04-01

    The electron emission from W surface induced by Neq+ has been measured. For the same charge state, the electron yield gradually increases with the projectile velocity. Meanwhile, the effect of the potential energy of projectile has been found obviously. Our results give the critical condition for "trampoline effect".

  8. Photoelectron spectroscopy bulk and surface electronic structures

    CERN Document Server

    Suga, Shigemasa

    2014-01-01

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

  9. Physisorption of an electron in deep surface potentials off a dielectric surface

    International Nuclear Information System (INIS)

    Heinisch, R. L.; Bronold, F. X.; Fehske, H.

    2011-01-01

    We study phonon-mediated adsorption and desorption of an electron at dielectric surfaces with deep polarization-induced surface potentials where multiphonon transitions are responsible for electron energy relaxation. Focusing on multiphonon processes due to the nonlinearity of the coupling between the external electron and the acoustic bulk phonon triggering the transitions between surface states, we calculate electron desorption times for graphite, MgO, CaO, Al 2 O 3 , and SiO 2 and electron sticking coefficients for Al 2 O 3 , CaO, and SiO 2 . To reveal the kinetic stages of electron physisorption, we moreover study the time evolution of the image-state occupancy and the energy-resolved desorption flux. Depending on the potential depth and the surface temperature, we identify two generic scenarios: (i) adsorption via trapping in shallow image states followed by relaxation to the lowest image state and desorption from that state via a cascade through the second strongly bound image state in not too deep potentials, and (ii) adsorption via trapping in shallow image states but followed by a relaxation bottleneck retarding the transition to the lowest image state and desorption from that state via a one-step process to the continuum in deep potentials.

  10. Electronic structure, Dirac points and Fermi arc surface states in three-dimensional Dirac semimetal Na3Bi from angle-resolved photoemission spectroscopy

    International Nuclear Information System (INIS)

    Liang Aiji; Chen Chaoyu; Wang Zhijun; Shi Youguo; Feng Ya; Yi Hemian; Xie Zhuojin; He Shaolong; He Junfeng; Peng Yingying; Liu Yan; Liu Defa; Hu Cheng; Zhao Lin; Liu Guodong; Dong Xiaoli; Zhang Jun; Nakatake, M; Iwasawa, H; Shimada, K

    2016-01-01

    The three-dimensional (3D) Dirac semimetals have linearly dispersive 3D Dirac nodes where the conduction band and valence band are connected. They have isolated 3D Dirac nodes in the whole Brillouin zone and can be viewed as a 3D counterpart of graphene. Recent theoretical calculations and experimental results indicate that the 3D Dirac semimetal state can be realized in a simple stoichiometric compound A 3 Bi ( A = Na, K, Rb). Here we report comprehensive high-resolution angle-resolved photoemission (ARPES) measurements on the two cleaved surfaces, (001) and (100), of Na 3 Bi. On the (001) surface, by comparison with theoretical calculations, we provide a proper assignment of the observed bands, and in particular, pinpoint the band that is responsible for the formation of the three-dimensional Dirac cones. We observe clear evidence of 3D Dirac cones in the three-dimensional momentum space by directly measuring on the k x – k y plane and by varying the photon energy to get access to different out-of-plane k z s. In addition, we reveal new features around the Brillouin zone corners that may be related with surface reconstruction. On the (100) surface, our ARPES measurements over a large momentum space raise an issue on the selection of the basic Brillouin zone in the (100) plane. We directly observe two isolated 3D Dirac nodes on the (100) surface. We observe the signature of the Fermi-arc surface states connecting the two 3D Dirac nodes that extend to a binding energy of ∼150 meV before merging into the bulk band. Our observations constitute strong evidence on the existence of the Dirac semimetal state in Na 3 Bi that are consistent with previous theoretical and experimental work. In addition, our results provide new information to clarify on the nature of the band that forms the 3D Dirac cones, on the possible formation of surface reconstruction of the (001) surface, and on the issue of basic Brillouin zone selection for the (100) surface. (rapid communication)

  11. Tantalum surface oxidation: Bond relaxation, energy entrapment, and electron polarization

    Energy Technology Data Exchange (ETDEWEB)

    Guo, Yongling [Key Laboratory of Low-Dimensional Materials and Application Technologies (Ministry of Education), Hunan Provincial Key Laboratory of Thin Film Materials and Devices, Faculty of Materials Science and Engineering, Xiangtan University, Hunan 411105 (China); Bo, Maolin [Yangtze Normal University, College of Mechanical and Electrical Engineering, Chongqing 408100 (China); Wang, Yan [School of Information and Electronic Engineering, Hunan University of Science and Technology, Hunan 411201 (China); Liu, Yonghui [Key Laboratory of Low-Dimensional Materials and Application Technologies (Ministry of Education), Hunan Provincial Key Laboratory of Thin Film Materials and Devices, Faculty of Materials Science and Engineering, Xiangtan University, Hunan 411105 (China); Sun, Chang Q. [NOVITAS, School of Electrical and Electronic Engineering, Nanyang Technological University, Singapore 639798 (Singapore); Huang, Yongli, E-mail: huangyongli@xtu.edu.cn [Key Laboratory of Low-Dimensional Materials and Application Technologies (Ministry of Education), Hunan Provincial Key Laboratory of Thin Film Materials and Devices, Faculty of Materials Science and Engineering, Xiangtan University, Hunan 411105 (China)

    2017-02-28

    Graphical abstract: The bond, electron and energy relaxation result in core level energy shift, local densification, quantum entrapment and electron polarization of bonding electrons. - Highlights: • Increasing the oxygen coverage lowers the adsorption energy associated with lattice reconstruction. • Electrons transfer from Ta surface atoms to sp-hydrated oxygen, creating dipole moment that decreases the work function. • Oxygen chemisorption modified valence density-of-state (DOS) for Ta with four excessive DOS features: O−Ta bonding, O{sup 2−} lone pairs, Ta+ electron holes, and the lone-pair polarized Ta dipoles. • The bond, electron and energy relaxation between surface undercoordinated atoms are responsible for core level energy shift, local densification, quantum entrapment and electron polarization of bonding electrons. - Abstract: A combination of photoelectron spectrometric analysis and density functional theory calculations has enabled reconciliation of the bond-energy-electron relaxation for the Ta(100, 110, 111) surfaces chemisorbed with oxygen at different coverages. Results show that increasing oxygen coverage lowers the adsorption energy associated with lattice reconstruction. Valence electrons transfer from Ta surface atoms to oxygen to create four excessive DOS features in terms of O−Ta bonding, lone pairs of oxygen, Ta{sup +} electron holes, and polarized Ta dipoles. Oxidation proceeds in the following dynamics: oxygen gets electrons from two neighboring Ta atoms left behind Ta{sup +}; the sp{sup 3}-orbital hybridization takes place with additional two electron lone pairs, the lone pairs polarize the other two Ta neighbors becoming dipoles. X-ray photoelectron spectral analysis results in the 4f binding energy of an isolated Ta atom and its shift upon bond formation and oxidation. Exercises provide not only a promising numerical approach for the quantitative information about the bond and electronic behavior but also consistent

  12. Tantalum surface oxidation: Bond relaxation, energy entrapment, and electron polarization

    International Nuclear Information System (INIS)

    Guo, Yongling; Bo, Maolin; Wang, Yan; Liu, Yonghui; Sun, Chang Q.; Huang, Yongli

    2017-01-01

    Graphical abstract: The bond, electron and energy relaxation result in core level energy shift, local densification, quantum entrapment and electron polarization of bonding electrons. - Highlights: • Increasing the oxygen coverage lowers the adsorption energy associated with lattice reconstruction. • Electrons transfer from Ta surface atoms to sp-hydrated oxygen, creating dipole moment that decreases the work function. • Oxygen chemisorption modified valence density-of-state (DOS) for Ta with four excessive DOS features: O−Ta bonding, O"2"− lone pairs, Ta+ electron holes, and the lone-pair polarized Ta dipoles. • The bond, electron and energy relaxation between surface undercoordinated atoms are responsible for core level energy shift, local densification, quantum entrapment and electron polarization of bonding electrons. - Abstract: A combination of photoelectron spectrometric analysis and density functional theory calculations has enabled reconciliation of the bond-energy-electron relaxation for the Ta(100, 110, 111) surfaces chemisorbed with oxygen at different coverages. Results show that increasing oxygen coverage lowers the adsorption energy associated with lattice reconstruction. Valence electrons transfer from Ta surface atoms to oxygen to create four excessive DOS features in terms of O−Ta bonding, lone pairs of oxygen, Ta"+ electron holes, and polarized Ta dipoles. Oxidation proceeds in the following dynamics: oxygen gets electrons from two neighboring Ta atoms left behind Ta"+; the sp"3-orbital hybridization takes place with additional two electron lone pairs, the lone pairs polarize the other two Ta neighbors becoming dipoles. X-ray photoelectron spectral analysis results in the 4f binding energy of an isolated Ta atom and its shift upon bond formation and oxidation. Exercises provide not only a promising numerical approach for the quantitative information about the bond and electronic behavior but also consistent insight into the

  13. Surface-Plasmon-Driven Hot Electron Photochemistry.

    Science.gov (United States)

    Zhang, Yuchao; He, Shuai; Guo, Wenxiao; Hu, Yue; Huang, Jiawei; Mulcahy, Justin R; Wei, Wei David

    2017-11-30

    Visible-light-driven photochemistry has continued to attract heightened interest due to its capacity to efficiently harvest solar energy and its potential to solve the global energy crisis. Plasmonic nanostructures boast broadly tunable optical properties coupled with catalytically active surfaces that offer a unique opportunity for solar photochemistry. Resonant optical excitation of surface plasmons produces energetic hot electrons that can be collected to facilitate chemical reactions. This review sums up recent theoretical and experimental approaches for understanding the underlying photophysical processes in hot electron generation and discusses various electron-transfer models on both plasmonic metal nanostructures and plasmonic metal/semiconductor heterostructures. Following that are highlights of recent examples of plasmon-driven hot electron photochemical reactions within the context of both cases. The review concludes with a discussion about the remaining challenges in the field and future opportunities for addressing the low reaction efficiencies in hot-electron-induced photochemistry.

  14. State-selective electron capture

    International Nuclear Information System (INIS)

    Dunford, R.W.; Liu, C.J.; Berry, H.G.; Pardo, R.C.; Raphaelian, M.L.A.

    1988-01-01

    We report results from a new atomic physics program using the Argonne PII ECR ion source which is being built as part of the upgrade of the Argonne Tandem-Linear Accelerator (ATLAS). Our initial experiments have been aimed at studying state-selective electron capture in ion-atom collisions using the technique of Photon Emission Spectroscopy. We are extending existing cross section measurements at low energy ( 6+ and O 7+ on He and H 2 targets in the energy range from 1-105 keV/amu. We also present uv spectra obtained in collisions of O 6+ , O 5+ and N 5+ on a sodium target. 4 refs., 2 figs., 1 tab

  15. Surfaces electrons at dielectric plasma walls

    International Nuclear Information System (INIS)

    Heinisch, Rafael Leslie

    2013-01-01

    The concept of the electron surface layer introduced in this thesis provides a framework for the description of the microphysics of the surplus electrons immediately at the wall and thereby complements the modelling of the plasma sheath. In this work we have considered from a surface physics perspective the distribution and build-up of an electron adsorbate on the wall as well as the effect of the negative charge on the scattering of light by a spherical particle immersed in a plasma. In our electron surface layer model we treat the wall-bound electrons as a wall-thermalised electron distribution minimising the grand canonical potential and satisfying Poisson's equation. The boundary between the electron surface layer and the plasma sheath is determined by a force balance between the attractive image potential and the repulsive sheath potential and lies in front of the crystallographic interface. Depending on the electron affinity χ, that is the offset of the conduction band minimum to the potential in front of the surface, two scenarios for the wall-bound electrons are realised. For χ 0 electrons penetrate into the conduction band where they form an extended space charge. These different scenarios are also reflected in the electron kinetics at the wall which control the sticking coefficient and the desorption time. If χ -3 . For χ>0 electron physisorption takes place in the conduction band. For this case sticking coefficients and desorption times have not been calculated yet but in view of the more efficient scattering with bulk phonons, responsible for electron energy relaxation in this case, we expect them to be larger than for the case of χ 0 the electrons in the bulk of the particle modify the refractive index through their bulk electrical conductivity. In both cases the conductivity is limited by scattering with surface or bulk phonons. Surplus electrons lead to an increase of absorption at low frequencies and, most notably, to a blue-shift of an

  16. Surface states in crystals with low-index surfaces

    International Nuclear Information System (INIS)

    Wang Hui-Ping; Tao Rui-Bao

    2015-01-01

    For most of the conventional crystals with low-index surfaces, the hopping between the nearest neighbor (1NN) crystal planes (CPs) is dominant and the ones from the nNN (2 ≤ n < ∞) CPs are relatively weak, considered as small perturbations. The recent theoretical analysis [1] has demonstrated the absence of surface states at the level of the hopping approximation between the 1NN CPs when the original infinite crystal has the geometric reflection symmetry (GRS) for each CP. Meanwhile, based on the perturbation theory, it has also been shown that small perturbations from the hopping between the nNN (2 ≤ n < ∞) CPs and surface relaxation have no impact on the above conclusion. However, for the crystals with strong intrinsic spin-orbit coupling (SOC), the dominant terms of intrinsic SOC associate with two 1NN bond hoppings. Thus SOC will significantly contribute the hoppings from the 1NN and/or 2NN CPs except the ones within each CP. Here, we will study the effect of the hopping between the 2NN CPs on the surface states in model crystals with three different type structures (Type I: “···–P–P–P–P–···”, Type II: “···–P–Q–P–Q–···” and Type III: “···–P=Q–P=Q–···” where P and Q indicate CPs and the signs “−” and “=” mark the distance between the 1NN CPs). In terms of analytical and numerical calculations, we study the behavior of surface states in three types after the symmetric/asymmetric hopping from the 2NN CPs is added. We analytically prove that the symmetric hopping from the 2NN CPs cannot induce surface states in Type I when each CP has only one electron mode. The numerical calculations also provide strong support for the conclusion, even up to 5NN. However, in general, the coupling from the 2NN CPs (symmetric and asymmetric) is favorable to generate surface states except Type I with single electron mode only. (paper)

  17. Electron emission at the rail surface

    International Nuclear Information System (INIS)

    Thornhill, L.; Battech, J.

    1991-01-01

    In this paper the authors examine the processes by which current is transferred from the cathode rail to the plasma armature in an arc-driven railgun. Three electron emission mechanisms are considered, namely thermionic emission, field-enhanced thermionic emission (or Schottky emission), and photoemission. The author's calculations show that the dominant electron emission mechanism depends, to a great extent, on the work function of the rail surface, the rail surface temperature, the electric field at the rail surface, and the effective radiation temperature of the plasma. For conditions that are considered to be typical of a railgun armature, Schottky emission is the dominant electron emission mechanism, providing current densities on the order of 10 9 A/m 2

  18. A surface-electrode quadrupole guide for electrons

    Energy Technology Data Exchange (ETDEWEB)

    Hoffrogge, Johannes Philipp

    2012-12-19

    This thesis reports on the design and first experimental realization of a surface-electrode quadrupole guide for free electrons. The guide is based on a miniaturized, planar electrode layout and is driven at microwave frequencies. It confines electrons in the near-field of the microwave excitation, where strong electric field gradients can be generated without resorting to resonating structures or exceptionally high drive powers. The use of chip-based electrode geometries allows the realization of versatile, microstructured potentials with the perspective of novel quantum experiments with guided electrons. I present the design, construction and operation of an experiment that demonstrates electron confinement in a planar quadrupole guide for the first time. To this end, electrons with kinetic energies from one to ten electron-volts are guided along a curved electrode geometry. The stability of electron guiding as a function of drive parameters and electron energy has been studied. A comparison with numerical particle tracking simulations yields good qualitative agreement and provides a deeper understanding of the electron dynamics in the guiding potential. Furthermore, this thesis gives a detailed description of the design of the surface-electrode layout. This includes the development of an optimized coupling structure to inject electrons into the guide with minimum transverse excitation. I also discuss the extension of the current setup to longitudinal guide dimensions that are comparable to or larger than the wavelength of the drive signal. This is possible with a modified electrode layout featuring elevated signal conductors. Electron guiding in the field of a planar, microfabricated electrode layout allows the generation of versatile and finely structured guiding potentials. One example would be the realization of junctions that split and recombine a guided electron beam. Furthermore, it should be possible to prepare electrons in low-lying quantum mechanical

  19. A surface-electrode quadrupole guide for electrons

    International Nuclear Information System (INIS)

    Hoffrogge, Johannes Philipp

    2012-01-01

    This thesis reports on the design and first experimental realization of a surface-electrode quadrupole guide for free electrons. The guide is based on a miniaturized, planar electrode layout and is driven at microwave frequencies. It confines electrons in the near-field of the microwave excitation, where strong electric field gradients can be generated without resorting to resonating structures or exceptionally high drive powers. The use of chip-based electrode geometries allows the realization of versatile, microstructured potentials with the perspective of novel quantum experiments with guided electrons. I present the design, construction and operation of an experiment that demonstrates electron confinement in a planar quadrupole guide for the first time. To this end, electrons with kinetic energies from one to ten electron-volts are guided along a curved electrode geometry. The stability of electron guiding as a function of drive parameters and electron energy has been studied. A comparison with numerical particle tracking simulations yields good qualitative agreement and provides a deeper understanding of the electron dynamics in the guiding potential. Furthermore, this thesis gives a detailed description of the design of the surface-electrode layout. This includes the development of an optimized coupling structure to inject electrons into the guide with minimum transverse excitation. I also discuss the extension of the current setup to longitudinal guide dimensions that are comparable to or larger than the wavelength of the drive signal. This is possible with a modified electrode layout featuring elevated signal conductors. Electron guiding in the field of a planar, microfabricated electrode layout allows the generation of versatile and finely structured guiding potentials. One example would be the realization of junctions that split and recombine a guided electron beam. Furthermore, it should be possible to prepare electrons in low-lying quantum mechanical

  20. Surface and Core Electronic Structure of Oxidized Silicon Nanocrystals

    Directory of Open Access Journals (Sweden)

    Noor A. Nama

    2010-01-01

    Full Text Available Ab initio restricted Hartree-Fock method within the framework of large unit cell formalism is used to simulate silicon nanocrystals between 216 and 1000 atoms (1.6–2.65 nm in diameter that include Bravais and primitive cell multiples. The investigated properties include core and oxidized surface properties. Results revealed that electronic properties converge to some limit as the size of the nanocrystal increases. Increasing the size of the core of a nanocrystal resulted in an increase of the energy gap, valence band width, and cohesive energy. The lattice constant of the core and oxidized surface parts shows a decreasing trend as the nanocrystal increases in a size that converges to 5.28 Ǻ in a good agreement with the experiment. Surface and core convergence to the same lattice constant reflects good adherence of oxide layer at the surface. The core density of states shows highly degenerate states that split at the oxygenated (001-(1×1 surface due to symmetry breaking. The nanocrystal surface shows smaller gap and higher valence and conduction bands when compared to the core part, due to oxygen surface atoms and reduced structural symmetry. The smaller surface energy gap shows that energy gap of the nanocrystal is controlled by the surface part. Unlike the core part, the surface part shows a descending energy gap that proves its obedience to quantum confinement effects. Nanocrystal geometry proved to have some influence on all electronic properties including the energy gap.

  1. Conversion electron Moessbauer spectroscopic studies on the chemical states of surface layers of corroded tin plates and tin-coated iron plates

    International Nuclear Information System (INIS)

    Kato, Akinori; Endo, Kazutoyo; Sano, Hirotoshi

    1980-01-01

    By means of the conversion electron Moessbauer spectroscopy (CEMS), we studied surface layers of ''tin'' plates and tin-coated iron plates corroded by various acids. Transmission Moessbauer spectra and X-ray diffraction patterns were also measured. Metastannic acid was formed, when the ''tin'' plate was corroded by nitric acid solution. In corrosion by phosphoric acid solution, the X-ray diffractometry revealed the formation of tin(IV) pyrophosphate. In corrosion by various organic acid solutions, the formation of oxides was identified by the 119 Sn CEMS, but not by the X-ray diffractometry because of the too thin corrosion layer. In corrosion of tin-coated iron plates, maleic acid, malonic acid, formic acid, and oxalic acid were used. It was determined by CEMS that the corrosion products caused by these acids were tin(IV) oxides, although they could not be identified by the X-ray diffractometry. CEMS also confirmed that the surface of uncorroded tin-coated iron plate was already oxidized by air. Colorimetric determinations of Sn and Fe dissolved from tin-coated iron plates to various acid solutions confirmed that maleic acid had the strongest corrosion effect among the organic acids studied. (author)

  2. States of the electron in hydrocarbon liquids

    International Nuclear Information System (INIS)

    Mozumder, A.

    2005-01-01

    Some features of the stationary and dynamic states of the electron are critically examined. Outline of a quantum mechanical description of electron thermalization is attempted qualitatively. The effects of both the mean free path and the reaction inefficiency on electron-ion geminate escape probability are investigated by a recently developed Metropolis method. The trapped state is interpreted in terms of Anderson localization, yielding an approximate number of molecules interacting with the trapped electron

  3. Rough surface mitigates electron and gas emission

    International Nuclear Information System (INIS)

    Molvik, A.

    2004-01-01

    Heavy-ion beams impinging on surfaces near grazing incidence (to simulate the loss of halo ions) generate copious amounts of electrons and gas that can degrade the beam. We measured emission coefficients of η e (le) 130 and η 0 ∼ 10 4 respectively, with 1 MeV K + incident on stainless steel. Electron emission scales as η e ∝ 1/cos(θ), where θ is the ion angle of incidence relative to normal. If we were to roughen a surface by blasting it with glass beads, then ions that were near grazing incidence (90 o ) on smooth surface would strike the rims of the micro-craters at angles closer to normal incidence. This should reduce the electron emission: the factor of 10 reduction, Fig. 1(a), implies an average angle of incidence of 62 o . Gas desorption varies more slowly with θ (Fig. 1(b)) decreasing a factor of ∼2, and along with the electron emission is independent of the angle of incidence on a rough surface. In a quadrupole magnet, electrons emitted by lost primary ions are trapped near the wall by the magnetic field, but grazing incidence ions can backscatter and strike the wall a second time at an azimuth where magnetic field lines intercept the beam. Then, electrons can exist throughout the beam (see the simulations of Cohen, HIF News 1-2/04). The SRIM (TRIM) Monte Carlo code predicts that 60-70% of 1 MeV K + ions backscatter when incident at 88-89 o from normal on a smooth surface. The scattered ions are mostly within ∼10 o of the initial direction but a few scatter by up to 90 o . Ion scattering decreases rapidly away from grazing incidence, Fig. 1(c ). At 62 deg. the predicted ion backscattering (from a rough surface) is 3%, down a factor of 20 from the peak, which should significantly reduce electrons in the beam from lost halo ions. These results are published in Phys. Rev. ST - Accelerators and Beams

  4. Ab Initio Potential Energy Surfaces for Both the Ground (X̃1A′ and Excited (A∼1A′′ Electronic States of HSiBr and the Absorption and Emission Spectra of HSiBr/DSiBr

    Directory of Open Access Journals (Sweden)

    Anyang Li

    2012-01-01

    Full Text Available Ab initio potential energy surfaces for the ground (X̃1A′ and excited (A˜A′′1 electronic states of HSiBr were obtained by using the single and double excitation coupled-cluster theory with a noniterative perturbation treatment of triple excitations and the multireference configuration interaction with Davidson correction, respectively, employing an augmented correlation-consistent polarized valence quadruple zeta basis set. The calculated vibrational energy levels of HSiBr and DSiBr of the ground and excited electronic states are in excellent agreement with the available experimental band origins. In addition, the absorption and emission spectra of HSiBr and DSiBr were calculated using an efficient single Lanczos propagation method and are in good agreement with the available experimental observations.

  5. Imaging quasiperiodic electronic states in a synthetic Penrose tiling

    Science.gov (United States)

    Collins, Laura C.; Witte, Thomas G.; Silverman, Rochelle; Green, David B.; Gomes, Kenjiro K.

    2017-06-01

    Quasicrystals possess long-range order but lack the translational symmetry of crystalline solids. In solid state physics, periodicity is one of the fundamental properties that prescribes the electronic band structure in crystals. In the absence of periodicity and the presence of quasicrystalline order, the ways that electronic states change remain a mystery. Scanning tunnelling microscopy and atomic manipulation can be used to assemble a two-dimensional quasicrystalline structure mapped upon the Penrose tiling. Here, carbon monoxide molecules are arranged on the surface of Cu(111) one at a time to form the potential landscape that mimics the ionic potential of atoms in natural materials by constraining the electrons in the two-dimensional surface state of Cu(111). The real-space images reveal the presence of the quasiperiodic order in the electronic wave functions and the Fourier analysis of our results links the energy of the resonant states to the local vertex structure of the quasicrystal.

  6. Electron beam melting state-of-the-art 1984

    International Nuclear Information System (INIS)

    Bakish, R.

    1984-01-01

    In 1984 electron beam melting and refining appear poised for an important new growth phase. The driving force for this phase is improved production economics made possible by technological advances. There is also a new and exciting growth application for electron beam melting: its use for surface properties beneficiation. This article is based in part on the content of the Conference on Electron Beam Melting and Refining, The State-of-the-Art 1983, held in November 1983 in Reno, Nevada

  7. Studies on electronic structure of GaN(0001) surface

    CERN Document Server

    Xie Chang Kun; Xu Fa Qiang; Deng Rui; Liu Feng; Yibulaxin, K

    2002-01-01

    An electronic structure investigation on GaN(0001) is reported. The authors employ a full-potential linearized augmented plane-wave (FPLAPW) approach to calculate the partial density of state, which is in agreement with previous experimental results. The effects of the Ga3d semi-core levels on the electronic structure of GaN are discussed. The valence-electronic structure of the wurtzite GaN(0001) surface is investigated using synchrotron radiation excited angle-resolved photoemission spectroscopy. The bulk bands dispersion along GAMMA A direction in the Brillouin zones is measured using normal-emission spectra by changing photon-energy. The band structure derived from authors' experimental data is compared well with the results of authors' FPLAPW calculation. Furthermore, off-normal emission spectra are also measured along the GAMMA K and GAMMA M directions. Two surface states are identified, and their dispersions are characterized

  8. In-surface confinement of topological insulator nanowire surface states

    International Nuclear Information System (INIS)

    Chen, Fan W.; Jauregui, Luis A.; Tan, Yaohua; Manfra, Michael; Klimeck, Gerhard; Chen, Yong P.; Kubis, Tillmann

    2015-01-01

    The bandstructures of [110] and [001] Bi 2 Te 3 nanowires are solved with the atomistic 20 band tight binding functionality of NEMO5. The theoretical results reveal: The popular assumption that all topological insulator (TI) wire surfaces are equivalent is inappropriate. The Fermi velocity of chemically distinct wire surfaces differs significantly which creates an effective in-surface confinement potential. As a result, topological insulator surface states prefer specific surfaces. Therefore, experiments have to be designed carefully not to probe surfaces unfavorable to the surface states (low density of states) and thereby be insensitive to the TI-effects

  9. In-surface confinement of topological insulator nanowire surface states

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Fan W., E-mail: fanchen@purdue.edu [Department of Physics and Astronomy, Purdue, West Lafayette, Indiana 47907 (United States); Network for Computational Nanotechnology, Purdue, West Lafayette, Indiana 47907 (United States); Jauregui, Luis A. [School of Electrical and Computer Engineering, Purdue University, West Lafayette, Indiana 47907 (United States); Birck Nanotechnology Center, Purdue University, West Lafayette, Indiana 47907 (United States); Tan, Yaohua [Network for Computational Nanotechnology, Purdue, West Lafayette, Indiana 47907 (United States); School of Electrical and Computer Engineering, Purdue University, West Lafayette, Indiana 47907 (United States); Manfra, Michael [Department of Physics and Astronomy, Purdue, West Lafayette, Indiana 47907 (United States); School of Electrical and Computer Engineering, Purdue University, West Lafayette, Indiana 47907 (United States); Birck Nanotechnology Center, Purdue University, West Lafayette, Indiana 47907 (United States); School of Materials Engineering, Purdue University, West Lafayette, Indiana 47907 (United States); Klimeck, Gerhard [Network for Computational Nanotechnology, Purdue, West Lafayette, Indiana 47907 (United States); School of Electrical and Computer Engineering, Purdue University, West Lafayette, Indiana 47907 (United States); Birck Nanotechnology Center, Purdue University, West Lafayette, Indiana 47907 (United States); Chen, Yong P. [Department of Physics and Astronomy, Purdue, West Lafayette, Indiana 47907 (United States); School of Electrical and Computer Engineering, Purdue University, West Lafayette, Indiana 47907 (United States); Birck Nanotechnology Center, Purdue University, West Lafayette, Indiana 47907 (United States); Kubis, Tillmann [Network for Computational Nanotechnology, Purdue, West Lafayette, Indiana 47907 (United States)

    2015-09-21

    The bandstructures of [110] and [001] Bi{sub 2}Te{sub 3} nanowires are solved with the atomistic 20 band tight binding functionality of NEMO5. The theoretical results reveal: The popular assumption that all topological insulator (TI) wire surfaces are equivalent is inappropriate. The Fermi velocity of chemically distinct wire surfaces differs significantly which creates an effective in-surface confinement potential. As a result, topological insulator surface states prefer specific surfaces. Therefore, experiments have to be designed carefully not to probe surfaces unfavorable to the surface states (low density of states) and thereby be insensitive to the TI-effects.

  10. In-surface confinement of topological insulator nanowire surface states

    Science.gov (United States)

    Chen, Fan W.; Jauregui, Luis A.; Tan, Yaohua; Manfra, Michael; Klimeck, Gerhard; Chen, Yong P.; Kubis, Tillmann

    2015-09-01

    The bandstructures of [110] and [001] Bi2Te3 nanowires are solved with the atomistic 20 band tight binding functionality of NEMO5. The theoretical results reveal: The popular assumption that all topological insulator (TI) wire surfaces are equivalent is inappropriate. The Fermi velocity of chemically distinct wire surfaces differs significantly which creates an effective in-surface confinement potential. As a result, topological insulator surface states prefer specific surfaces. Therefore, experiments have to be designed carefully not to probe surfaces unfavorable to the surface states (low density of states) and thereby be insensitive to the TI-effects.

  11. Electronically controllable spoof localized surface plasmons

    Science.gov (United States)

    Zhou, Yong Jin; Zhang, Chao; Yang, Liu; Xun Xiao, Qian

    2017-10-01

    Electronically controllable multipolar spoof localized surface plasmons (LSPs) are experimentally demonstrated in the microwave frequencies. It has been shown that half integer order LSPs modes exist on the corrugated ring loaded with a slit, which actually arise from the Fabry-Perot-like resonances. By mounting active components across the slit in the corrugated rings, electronic switchability and tunability of spoof LSPs modes have been accomplished. Both simulated and measured results demonstrate efficient dynamic control of the spoof LSPs. These elements may form the basis of highly integrated programmable plasmonic circuits in microwave and terahertz regimes.

  12. Localized electronic states: the small radius potential approximation

    International Nuclear Information System (INIS)

    Steslicka, M.; Jurczyszyn, L.

    1984-09-01

    Using a quasi three-dimensional crystal model we investigate the localized electronic states, generated by the crystal surface covered by foreign atoms. Two such states are found in the first forbidden energy gap and, because of their localization properties, called the Tamm-like and adsorption-like states. Using the small radius potential approximation, the properties of both types of states were discussed in detail. (author)

  13. Few-cycle surface plasmon enhanced electron acceleration

    International Nuclear Information System (INIS)

    Racz, P.; Lenner, M.; Kroo, N.; Farkas, Gy.; Dombi, P.; Takao Fuji; Krausz, F.; Irvine, S.E.; Elezzabi, A.Y.

    2010-01-01

    Complete text of publication follows. It is possible to generate high-quality ultrafast electron beams with keV energy based on surface plasmon-enhanced electron acceleration. The beam generated this way can be also used to investigate ultrafast phenomena in the plasmon field. For the better understanding of the temporal behavior of these ultrafast surface processes we carried out time-resolved experiments with 5.5 fs laser pulses for the first time. In this experiment, we executed an autocorrelation measurement with an ultra-broadband interferometer. By generating surface plasmons at the output of the interferometer, we measured the plasmonic photocurrent as a function of the delay between the interferometer arms. Figure (a) shows a typical measured result, and figure (b) shows the fourth order calculated autocorrelation function of the 5.5 fs long laser pulse, corresponding to the fourth order nonlinearity of the electron emission process. According to the correspondence of these two curves, we can also state that the length of the generated surface plasmon pulse is only 2-3 optical cycles. As a further experiment, we executed spectrally resolved measurements of the electron beam at higher intensities. According to these results, it is possible to reach electron beams with keV energy in the few-cycle regime too. It was found that the field strength of the surface plasmons is x 7 to x 30 higher than that of the focused laser pulse.

  14. Multiple electron generation in a sea of electronic states

    Science.gov (United States)

    Witzel, Wayne; Shabaev, Andrew; Efros, Alexander; Hellberg, Carl; Verne, Jacobs

    2009-03-01

    In traditional bulk semiconductor photovoltaics (PVs), each photon may excite a single electron-hole, wasting excess energy beyond the band-gap as heat. In nanocrystals, multiple excitons can be generated from a single photon, enhancing the PV current. Multiple electron generation (MEG) may result from Coulombic interactions of the confined electrons. Previous investigations have been based on incomplete or over-simplified electronic-state representations. We present results of quantum simulations that include hundreds of thousands of configuration states and show how the complex dynamics, even in a closed electronic system, yields a saturated MEG effect on a femtosecond timescale. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

  15. Radiative capture of slow electrons by tungsten surface

    International Nuclear Information System (INIS)

    Artamonov, O.M.; Belkina, G.M.; Samarin, S.N.; Yakovlev, I.I.

    1987-01-01

    Isochromatic spectra of radiation capture of slow electrons by the surface of mono- and polycrystal tungsten recorded on 322 and 405 nm wave lengths are presented. The effect of oxygen adsorption on isochromates of the (110) face of tungsten monocrystal is investigated. The obtained isochromatic spectra are compared with energy band structure of tungsten. Based on the analysis of the obtained experimental results it is assumed that optical transition to the final state at the energy of 7.3 eV relatively to Fermi level is conditioned by surface states of the tungsten face (110)

  16. Electronic structure of disordered alloys, surfaces and interfaces

    CERN Document Server

    Turek, Ilja; Kudrnovský, Josef; Šob, Mojmír; Weinberger, Peter

    1997-01-01

    At present, there is an increasing interest in the prediction of properties of classical and new materials such as substitutional alloys, their surfaces, and metallic or semiconductor multilayers. A detailed understanding based on a thus of the utmost importance for fu­ microscopic, parameter-free approach is ture developments in solid state physics and materials science. The interrela­ tion between electronic and structural properties at surfaces plays a key role for a microscopic understanding of phenomena as diverse as catalysis, corrosion, chemisorption and crystal growth. Remarkable progress has been made in the past 10-15 years in the understand­ ing of behavior of ideal crystals and their surfaces by relating their properties to the underlying electronic structure as determined from the first principles. Similar studies of complex systems like imperfect surfaces, interfaces, and mul­ tilayered structures seem to be accessible by now. Conventional band-structure methods, however, are of limited use ...

  17. Electronic structures near surfaces of perovskite type oxides

    International Nuclear Information System (INIS)

    Hara, Toru

    2005-01-01

    This work is intended to draw attention to the origin of the electronic structures near surfaces of perovskite type oxides. Deep states were observed by ultraviolet photoelectron spectroscopic measurements. The film thickness dependent electronic structures near surfaces of (Ba 0.5 Sr 0.5 )TiO 3 thin films were observed. As for the 117-308 nm thick (Ba 0.5 Sr 0.5 )TiO 3 films, deep states were lying at 0.20, 0.55, and 0.85 eV below the quasi-fermi level, respectively. However, as for the 40 nm thick (Ba 0.5 Sr 0.5 )TiO 3 film, the states were overlapped. The A-site doping affected electronic structures near surfaces of SrTiO 3 single crystals. No evolution of deep states in non-doped SrTiO 3 single crystal was observed. However, the evolution of deep states in La-doped SrTiO 3 single crystal was observed

  18. Electron capture by highly charged ions from surfaces and gases

    Energy Technology Data Exchange (ETDEWEB)

    Allen, F.

    2008-01-11

    In this study highly charged ions produced in Electron Beam Ion Traps are used to investigate electron capture from surfaces and gases. The experiments with gas targets focus on spectroscopic measurements of the K-shell x-rays emitted at the end of radiative cascades following electron capture into Rydberg states of Ar{sup 17+} and Ar{sup 18+} ions as a function of collision energy. The ions are extracted from an Electron Beam Ion Trap at an energy of 2 keVu{sup -1}, charge-selected and then decelerated down to 5 eVu{sup -1} for interaction with an argon gas target. For decreasing collision energies a shift to electron capture into low orbital angular momentum capture states is observed. Comparative measurements of the K-shell x-ray emission following electron capture by Ar{sup 17+} and Ar{sup 18+} ions from background gas in the trap are made and a discrepancy in the results compared with those from the extraction experiments is found. Possible explanations are discussed. For the investigation of electron capture from surfaces, highly charged ions are extracted from an Electron Beam Ion Trap at energies of 2 to 3 keVu{sup -1}, charge-selected and directed onto targets comprising arrays of nanoscale apertures in silicon nitride membranes. The highly charged ions implemented are Ar{sup 16+} and Xe{sup 44+} and the aperture targets are formed by focused ion beam drilling in combination with ion beam assisted thin film deposition, achieving hole diameters of 50 to 300 nm and aspect ratios of 1:5 to 3:2. After transport through the nanoscale apertures the ions pass through an electrostatic charge state analyzer and are detected. The percentage of electron capture from the aperture walls is found to be much lower than model predictions and the results are discussed in terms of a capillary guiding mechanism. (orig.)

  19. Electron capture by highly charged ions from surfaces and gases

    International Nuclear Information System (INIS)

    Allen, F.

    2008-01-01

    In this study highly charged ions produced in Electron Beam Ion Traps are used to investigate electron capture from surfaces and gases. The experiments with gas targets focus on spectroscopic measurements of the K-shell x-rays emitted at the end of radiative cascades following electron capture into Rydberg states of Ar 17+ and Ar 18+ ions as a function of collision energy. The ions are extracted from an Electron Beam Ion Trap at an energy of 2 keVu -1 , charge-selected and then decelerated down to 5 eVu -1 for interaction with an argon gas target. For decreasing collision energies a shift to electron capture into low orbital angular momentum capture states is observed. Comparative measurements of the K-shell x-ray emission following electron capture by Ar 17+ and Ar 18+ ions from background gas in the trap are made and a discrepancy in the results compared with those from the extraction experiments is found. Possible explanations are discussed. For the investigation of electron capture from surfaces, highly charged ions are extracted from an Electron Beam Ion Trap at energies of 2 to 3 keVu -1 , charge-selected and directed onto targets comprising arrays of nanoscale apertures in silicon nitride membranes. The highly charged ions implemented are Ar 16+ and Xe 44+ and the aperture targets are formed by focused ion beam drilling in combination with ion beam assisted thin film deposition, achieving hole diameters of 50 to 300 nm and aspect ratios of 1:5 to 3:2. After transport through the nanoscale apertures the ions pass through an electrostatic charge state analyzer and are detected. The percentage of electron capture from the aperture walls is found to be much lower than model predictions and the results are discussed in terms of a capillary guiding mechanism. (orig.)

  20. Solid-state physics for electronics

    CERN Document Server

    Moliton, Andre

    2009-01-01

    Describing the fundamental physical properties of materials used in electronics, the thorough coverage of this book will facilitate an understanding of the technological processes used in the fabrication of electronic and photonic devices. The book opens with an introduction to the basic applied physics of simple electronic states and energy levels. Silicon and copper, the building blocks for many electronic devices, are used as examples. Next, more advanced theories are developed to better account for the electronic and optical behavior of ordered materials, such as diamond, and disordered ma

  1. Electron transfer from electronic excited states to sub-vacuum electron traps in amorphous ice

    International Nuclear Information System (INIS)

    Vichnevetski, E.; Bass, A.D.; Sanche, L.

    2000-01-01

    We investigate the electron stimulated yield of electronically excited argon atoms (Ar * ) from monolayer quantities of Ar deposited onto thin films of amorphous ice. Two peaks of narrow width ( - electron-exciton complex into exciton states, by the transfer of an electron into a sub-vacuum electron state within the ice film. However, the 10.7 eV feature is shifted to lower energy since electron attachment to Ar occurs within small pores of amorphous ice. In this case, the excess electron is transferred into an electron trap below the conduction band of the ice layer

  2. Interaction of slow electrons with surfaces. II

    International Nuclear Information System (INIS)

    Komolov, S.A.; Chadderton, L.T.

    1976-01-01

    Total current spectroscopy (TCS) has been used to study the growth of films of gold and silver on (100) vanadium surfaces. A slow transition from TCS curves characteristic of vanadium to curves characteristic of the noble metals is observed, accompanied by an increase in the net work function - more rapid for silver than for gold. Vanadium characteristics are lost from the TCS curves for mean overlayer thicknesses > approximately 15A, and a simple analysis shows that the thickness of the surface zone from which TCS signals originate is approximately given by the electron mean free path. Observations of progressive attenuation of a characteristic vanadium feature with increasing mean thickness of overlayer permits separation into stages of nucleation and growth. There is a critical nucleus size of approximately 2A for silver and approximately 4A for gold. (Auth.)

  3. The surface electronic structure of Y(0001)

    International Nuclear Information System (INIS)

    Searle, C.

    1998-12-01

    Yttrium has been grown epitaxially on W(110). The growth was monitored by using photoemission spectroscopy with a synchrotron radiation source. The film thickness has been gauged by the attenuation of the W 4f 7/2 bulk component. The films have been grown reproducibly and show a prominent surface state which is indicative of good order and low contamination. Angle-Resolved Ultra-Violet Photoemission Spectroscopy has been used to examine the valence band of these ultra-thin films. The films show a very different structure to the valence band of a bulk crystal of yttrium. The differences have been investigated by a series of model calculations using the LMASA-46 tight-binding LMTO program. The calculations suggest that the ultra-thin film surface state may be hybridised with a tungsten orbital having (x 2 - y 2 ) character. (author)

  4. Photoemission electronic states of epitaxially grown magnetite films

    International Nuclear Information System (INIS)

    Zalecki, R.; Kolodziejczyk, A.; Korecki, J.; Spiridis, N.; Zajac, M.; Kozlowski, A.; Kakol, Z.; Antolak, D.

    2007-01-01

    The valence band photoemission spectra of epitaxially grown 300 A single crystalline magnetite films were measured by the angle-resolved ultraviolet photoemission spectroscopy (ARUPS) at 300 K. The samples were grown either on MgO(0 0 1) (B termination) or on (0 0 1) Fe (iron-rich A termination), thus intentionally presenting different surface stoichiometry, i.e. also different surface electronic states. Four main features of the electron photoemission at about -1.0, -3.0, -5.5 and -10.0 eV below a chemical potential show systematic differences for two terminations; this difference depends on the electron outgoing angle. Our studies confirm sensitivity of angle resolved PES technique on subtleties of surface states

  5. Electronic structure of benzene adsorbed on Ni and Cu surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Weinelt, M.; Nilsson, A.; Wassdahl, N. [Uppsala Univ. (Sweden)] [and others

    1997-04-01

    Benzene has for a long time served as a prototype adsorption system of large molecules. It adsorbs with the molecular plane parallel to the surface. The bonding of benzene to a transition metal is typically viewed to involve the {pi} system. Benzene adsorbs weakly on Cu and strongly on Ni. It is interesting to study how the adsorption strength is reflected in the electronic structure of the adsorbate-substrate complex. The authors have used X-ray Emission (XE) and X-ray Absorption (XA) spectroscopies to selectively study the electronic states localized on the adsorbed benzene molecule. Using XES the occupied states can be studies and with XAS the unoccupied states. The authors have used beamline 8.0 and the Swedish endstation equipped with a grazing incidence x-ray spectrometer and a partial yield absorption detector. The resolution in the XES and XAS were 0.5 eV and 0.05 eV, respectively.

  6. Influence of the Localization of Ge Atoms within the Si(001(4 × 2 Surface Layer on Semicore One-Electron States

    Directory of Open Access Journals (Sweden)

    Olha I. Tkachuk

    2016-03-01

    Full Text Available Adsorption complexes of germanium on the reconstructed Si(001(4 × 2 surface have been simulated by the Si96Ge2Н84 cluster. For Ge atoms located on the surface layer, DFT calculations (B3LYP/6-31G** of their 3d semicore-level energies have shown a clear-cut correlation between the 3d5/2 chemical shifts and mutual arrangement of Ge atoms. Such a shift is positive when only one Ge atom penetrates into the crystalline substrate, while being negative for both penetrating Ge atoms. We interpret these results in terms of the charge distribution in clusters under consideration.

  7. State promotion and neutralization of ions near metal surface

    International Nuclear Information System (INIS)

    Zinoviev, A.N.

    2011-01-01

    Research highlights: → Multiply charged ion and the charge induced in the metal form a dipole. → Dipole states are promoted into continuum with decreasing ion-surface distance. → These states cross the states formed from metal atom. → Proposed model explains the dominant population of deep bound states. → Observed spectra of emitted Auger electrons prove this promotion model. -- Abstract: When a multiply charged ion with charge Z approaches the metal surface, a dipole is formed by the multiply charged ion and the charge induced in the metal. The states for such a dipole are promoted into continuum with decreasing ion-surface distance and cross the states formed from metal atom. The model proposed explains the dominant population of deep bound states in collisions considered.

  8. Topological surface states scattering in antimony

    KAUST Repository

    Narayan, Awadhesh; Rungger, Ivan; Sanvito, Stefano

    2012-01-01

    In this work we study the topologically protected states of the Sb(111) surface by using ab initio transport theory. In the presence of a strong surface perturbation we obtain standing-wave states resulting from the superposition of spin-polarized surface states. By Fourier analysis, we identify the underlying two dimensional scattering processes and the spin texture. We find evidence of resonant transmission across surface barriers at quantum well state energies and evaluate their lifetimes. Our results are in excellent agreement with experimental findings. We also show that despite the presence of a step edge along a different high-symmetry direction, the surface states exhibit unperturbed transmission around the Fermi energy for states with near to normal incidence. © 2012 American Physical Society.

  9. Topological surface states scattering in antimony

    KAUST Repository

    Narayan, Awadhesh

    2012-11-05

    In this work we study the topologically protected states of the Sb(111) surface by using ab initio transport theory. In the presence of a strong surface perturbation we obtain standing-wave states resulting from the superposition of spin-polarized surface states. By Fourier analysis, we identify the underlying two dimensional scattering processes and the spin texture. We find evidence of resonant transmission across surface barriers at quantum well state energies and evaluate their lifetimes. Our results are in excellent agreement with experimental findings. We also show that despite the presence of a step edge along a different high-symmetry direction, the surface states exhibit unperturbed transmission around the Fermi energy for states with near to normal incidence. © 2012 American Physical Society.

  10. Dissociative electron attachment on surfaces and in bulk media

    International Nuclear Information System (INIS)

    Fabrikant, Ilya I.

    2007-01-01

    A theory of dissociative electron attachment to molecules condensed at surfaces and embedded within bulk media is developed. The theory of low-energy electron diffraction is used to obtain the width for electron-molecule resonance scattering in the condensed phase from the width for the gas phase. It is then employed for the calculation of dissociative attachment in the framework of the nonlocal complex potential theory. Specific calculations using the effective mass approximation are carried out for electron attachment to CH 3 Cl and CF 3 Cl molecules physisorbed on the surface of a Kr film. The role of image states and image-potential resonances is analyzed. The results show an increase by several orders of magnitude in the cross section for physisorbed molecules as compared with gas-phase molecules. This is in general agreement with the measured cross sections. However, the position of the peak in the cross section for CH 3 Cl is significantly shifted towards higher energies as compared to experiment [K. Nagesha et al., J. Chem. Phys. 114, 4934 (2001)], and the magnitude of the calculated cross section for CF 3 Cl at the surface is significantly higher than the measured value. Possible reasons for disagreements are analyzed

  11. Electron work function of stepped tungsten surfaces

    International Nuclear Information System (INIS)

    Krahl-Urban, B.

    1976-03-01

    The electron work function of tungsten (110) vicinal faces was measured with the aid of thermionic emission, and its dependence on the crystallographic orientation and the surface structure was investigated. The thermionic measurements were evaluated with the aid of the Richardson plot. The real temperature of the emitting tungsten faces was determined with an accuracy of +- 0.5% in the range between 2,200 and 2,800 K. The vicinal faces under investigation have been prepared with an orientation exactness of +- 15'. In the tungsten (110) vicinal faces under investigation, a strong dependence of the temperature coefficient d PHI/dT of the work function on the crystallographic orientation was found. A strong influence of the edge structure as well as of the step density on the temperature coefficient was observed. (orig./HPOE) [de

  12. Electronic properties of semiconductor surfaces and metal/semiconductor interfaces

    Energy Technology Data Exchange (ETDEWEB)

    Tallarida, M.

    2005-05-15

    , manifested by the observation of quantum well states and a surface state. The resulting shift in binding energy of both quantum well states and surface state has been interpreted in terms of the virtual crystal approximation model where the main effect of the alloying process is attributed to the change of electron density of the system. For this system, the variation of photoemission intensity as a function of photon energy has been also investigated and explained in terms of collective excitations. (orig.)

  13. Experimental study on the secondary emission (atomic and molecular ions, aggregates, electrons) induced by the bombardment of surfaces by means of energetic heavy ions (∼ MeV/u). Effects of the charge state of the projectiles

    International Nuclear Information System (INIS)

    Monart, B.

    1988-05-01

    The ionic and electronic emissions, induced by the sputtering of solid targets (organic and inorganic) with 1 MeV/u projectiles. The time-of-flight spectrometry is applied to the secondary emission analysis. The projectile velocity, the angle of attack (between the beam and the target), and the projectile's incident charge state, are taken into account. It is shown that the secondary emission depends on the charge of the incident ion and on the charge state changement in the material's bulk. A model, applying the theoretical calculations concerning the charge in the material's bulk, is proposed. The existence of an interaction depth, for the incident ion and the material, which depends on the secondary ions type and on the incident ion charge, is suggested. The calculated depth is about 200 angstroms for the aggregates ejected from a CsI target, sputtered with 14 Kr 18+ . The H + yield (coming from ∼ 10 angstroms) is used as a projectile charge probe, at the material surface. The experimental method allows, for the first time, the obtention of the equilibrium charge state in the condensed matter. The same method is applied to determine the non-equilibrium charges in the bulk of thin materials. The results show that, after leaving the material, the projectile presents a post-ionization state [fr

  14. Solid-state electronic devices an introduction

    CERN Document Server

    Papadopoulos, Christo

    2014-01-01

    A modern and concise treatment of the solid state electronic devices that are fundamental to electronic systems and information technology is provided in this book. The main devices that comprise semiconductor integrated circuits are covered in a clear manner accessible to the wide range of scientific and engineering disciplines that are impacted by this technology. Catering to a wider audience is becoming increasingly important as the field of electronic materials and devices becomes more interdisciplinary, with applications in biology, chemistry and electro-mechanical devices (to name a few) becoming more prevalent. Updated and state-of-the-art advancements are included along with emerging trends in electronic devices and their applications. In addition, an appendix containing the relevant physical background will be included to assist readers from different disciplines and provide a review for those more familiar with the area. Readers of this book can expect to derive a solid foundation for understanding ...

  15. Electronic structure of epitaxial chalcopyrite surfaces and interfaces for photovoltaics

    International Nuclear Information System (INIS)

    Hofmann, Andreas

    2012-01-01

    electron states was observed, which can be understood as a higher localization of electronic states and lower crystal quality. In addition, a strong rearrangement of the copper partial density of states was shown. The intimate knowledge of the electric structure was then exploited to demonstrate the valence band discontinuity between CuInSe 2 and CuIn 3 Se 5 . The analysis by photoemission yielded a valence band offset of 0.28 eV, again in reasonable agreement with theoretical results. The p-n-junction in chalcopyrite solar cells is situated near the absorber-buffer interface, which is therefore crucial for the device performance. In this thesis, ZnO deposited from metal-organic precursors on epitaxial CuInSe 2 was investigated as cadmium-free buffer material. In the course of contact formation, the interfacial region of the absorber becomes depleted of copper. Additionally, a thin intrinsic ZnSe layer is formed, prior to the growth of ZnO. The derived band alignments show no dependence on the surface orientation of the chalcopyrite substrate and are consistent with theoretical results. The conduction band lineup is favorable for the application in solar cells.

  16. The electronic structure of core states under extreme compressions

    International Nuclear Information System (INIS)

    Straub, G.K.

    1992-01-01

    At normal density and for modest compressions, the electronic structure of a metal can be accurately described by treating the conduction electrons and their interactions with the usual methods of band theory. The core electrons remain essentially the same as for an isolated free atom and do not participate in the bonding forces responsible for creating a condensed phase. As the density increases, the core electrons begin to ''see'' one another as the overlap of the tails of wave functions can no longer be neglected. The electronic structure of the core electrons is responsible for an effective repulsive interaction that eventually becomes free-electron-like at very high compressions. The electronic structure of the interacting core electrons may be treated in a simple manner using the Atomic Surface Method (ASM). The ASM is a first-principles treatment of the electronic structure involving a rigorous integration of the Schroedinger equation within the atomic-sphere approximation. Solid phase wave functions are constructed from isolated atom wave functions and the band width W l and the center of gravity of the band C l are obtained from simple formulas. The ASM can also utilize analytic forms of the atomic wave functions and thus provide direct functional dependence of various aspects of the electronic structure. Of particular use in understanding the behavior of the core electrons, the ASM provides the ability to analytically determine the density dependence of the band widths and positions. The process whereby core states interact with one another is best viewed as the formation of narrow electron bands formed from atomic states. As the core-core overlap increases, the bands increase in width and mean energy. In Sec.3 this picture is further developed and from the ASM one obtains the analytic dependence on density of the relative motion of the different bands. Also in Sec. 3 is a discussion of the transition to free electron bands

  17. Atomic and electronic structure of surfaces theoretical foundations

    CERN Document Server

    Lannoo, Michel

    1991-01-01

    Surfaces and interfaces play an increasingly important role in today's solid state devices. In this book the reader is introduced, in a didactic manner, to the essential theoretical aspects of the atomic and electronic structure of surfaces and interfaces. The book does not pretend to give a complete overview of contemporary problems and methods. Instead, the authors strive to provide simple but qualitatively useful arguments that apply to a wide variety of cases. The emphasis of the book is on semiconductor surfaces and interfaces but it also includes a thorough treatment of transition metals, a general discussion of phonon dispersion curves, and examples of large computational calculations. The exercises accompanying every chapter will be of great benefit to the student.

  18. An AES Study of the Room Temperature Surface Conditioning of Technological Metal Surfaces by Electron Irradiation

    CERN Document Server

    Scheuerlein, C; Taborelli, M; Brown, A; Baker, M A

    2002-01-01

    The modifications to technological copper and niobium surfaces induced by 2.5 keV electron irradiation have been investigated in the context of the conditioning process occurring in particle accelerator ultra high vacuum systems. Changes in the elemental surface composition have been found using Scanning Auger Microscopy (SAM) by monitoring the carbon, oxygen and metal Auger peak intensities as a function of electron irradiation in the dose range 10-6 to 10-2 C mm-2. The surface analysis results are compared with electron dose dependent secondary electron and electron stimulated desorption yield measurements. Initially the electron irradiation causes a surface cleaning through electron stimulated desorption, in particular of hydrogen. During this period both the electron stimulated desorption and secondary electron yield decrease as a function of electron dose. When the electron dose exceeds 10-4 C mm-2 electron stimulated desorption yields are reduced by several orders of magnitude and the electron beam indu...

  19. Excitation of lowest electronic states of thymine by slow electrons

    Science.gov (United States)

    Chernyshova, I. V.; Kontros, E. J.; Markush, P. P.; Shpenik, O. B.

    2013-11-01

    Excitation of lowest electronic states of the thymine molecules in the gas phase is studied by elec- tron energy loss spectroscopy. In addition to dipole-allowed transitions to singlet states, transitions to the lowest triplet states were observed. The low-energy features of the spectrum at 3.66 and 4.61 eV are identified with the excitation of the first triplet states 13 A' (π → π*) and 13 A″ ( n → π*). The higher-lying features at 4.96, 5.75, 6.17, and 7.35 eV are assigned mainly to the excitation of the π → π* transitions to the singlet states of the molecule. The excitation dynamics of the lowest states is studied. It is found that the first triplet state 13 A'(π → π*) is most efficiently excited at a residual energy close to zero, while the singlet 21 A'(π → π*) state is excited with almost identical efficiency at different residual energies.

  20. Ion accumulation in an electron plasma confined on magnetic surfaces

    International Nuclear Information System (INIS)

    Berkery, John W.; Marksteiner, Quinn R.; Pedersen, Thomas Sunn; Kremer, Jason P.

    2007-01-01

    Accumulation of ions can alter and may destabilize the equilibrium of an electron plasma confined on magnetic surfaces. An analysis of ion sources and ion content in the Columbia Non-neutral Torus (CNT) [T.S. Pedersen, J.P. Kremer, R.G. Lefrancois, Q. Marksteiner, N. Pomphrey, W. Reiersen, F. Dahlgreen, and X. Sarasola, Fusion Sci. Technol. 50, 372 (2006)] is presented. In CNT ions are created preferentially at locations of high electron temperature, near the outer magnetic surfaces. A volumetric integral of n e ν iz gives an ion creation rate of 2.8x10 11 ions/s. This rate of accumulation would cause neutralization of a plasma with 10 11 electrons in about half a second. This is not observed experimentally, however, because currently in CNT ions are lost through recombination on insulated rods. From a steady-state balance between the calculated ion creation and loss rates, the equilibrium ion density in a 2x10 -8 Torr neutral pressure, 7.5x10 11 m -3 electron density plasma in CNT is calculated to be n i =6.2x10 9 m -3 , or 0.8%. The ion density is experimentally measured through the measurement of the ion saturation current on a large area probe to be about 6.0x10 9 m -3 for these plasmas, which is in good agreement with the predicted value

  1. Electronic Structure of the Perylene / Zinc Oxide Interface: A Computational Study of Photoinduced Electron Transfer and Impact of Surface Defects

    KAUST Repository

    Li, Jingrui

    2015-07-29

    The electronic properties of dye-sensitized semiconductor surfaces consisting of pery- lene chromophores chemisorbed on zinc oxide via different spacer-anchor groups, have been studied at the density-functional-theory level. The energy distributions of the donor states and the rates of photoinduced electron transfer from dye to surface are predicted. We evaluate in particular the impact of saturated versus unsaturated aliphatic spacer groups inserted between the perylene chromophore and the semiconductor as well as the influence of surface defects on the electron-injection rates.

  2. Electronic Structure of the Perylene / Zinc Oxide Interface: A Computational Study of Photoinduced Electron Transfer and Impact of Surface Defects

    KAUST Repository

    Li, Jingrui; Li, Hong; Winget, Paul; Bredas, Jean-Luc

    2015-01-01

    The electronic properties of dye-sensitized semiconductor surfaces consisting of pery- lene chromophores chemisorbed on zinc oxide via different spacer-anchor groups, have been studied at the density-functional-theory level. The energy distributions of the donor states and the rates of photoinduced electron transfer from dye to surface are predicted. We evaluate in particular the impact of saturated versus unsaturated aliphatic spacer groups inserted between the perylene chromophore and the semiconductor as well as the influence of surface defects on the electron-injection rates.

  3. Ab initio study of the electron-phonon coupling at the Cr(001) surface

    Science.gov (United States)

    Peters, L.; Rudenko, A. N.; Katsnelson, M. I.

    2018-04-01

    It is experimentally well established that the Cr(001) surface exhibits a sharp resonance around the Fermi level. However, there is no consensus about its physical origin. It is proposed to be either due to a single particle dz2 surface state renormalized by electron-phonon coupling or the orbital Kondo effect involving the degenerate dx z/ dy z states. In this paper we examine the electron-phonon coupling of the Cr(001) surface by means of ab-initio calculations in the form of density functional perturbation theory. More precisely, the electron-phonon mass-enhancement factor of the surface layer is investigated for the 3d states. For the majority and minority spin dz2 surface states we find values of 0.19 and 0.16. We show that these calculated electron-phonon mass-enhancement factors are not in agreement with the experimental data even if we use realistic values for the temperature range and surface Debye frequency for the fit of the experimental data. More precisely, then experimentally an electron-phonon mass-enhancement factor of 0.70 ±0.10 is obtained, which is not in agreement with our calculated values of 0.19 and 0.16. Our findings suggest that the experimentally observed resonance at the Cr(001) surface is not due to electron-phonon effects but due to electron-electron correlation effects.

  4. Topological surface states in nodal superconductors.

    Science.gov (United States)

    Schnyder, Andreas P; Brydon, Philip M R

    2015-06-24

    Topological superconductors have become a subject of intense research due to their potential use for technical applications in device fabrication and quantum information. Besides fully gapped superconductors, unconventional superconductors with point or line nodes in their order parameter can also exhibit nontrivial topological characteristics. This article reviews recent progress in the theoretical understanding of nodal topological superconductors, with a focus on Weyl and noncentrosymmetric superconductors and their protected surface states. Using selected examples, we review the bulk topological properties of these systems, study different types of topological surface states, and examine their unusual properties. Furthermore, we survey some candidate materials for topological superconductivity and discuss different experimental signatures of topological surface states.

  5. Electron affinity and excited states of methylglyoxal

    Science.gov (United States)

    Dauletyarov, Yerbolat; Dixon, Andrew R.; Wallace, Adam A.; Sanov, Andrei

    2017-07-01

    Using photoelectron imaging spectroscopy, we characterized the anion of methylglyoxal (X2A″ electronic state) and three lowest electronic states of the neutral methylglyoxal molecule: the closed-shell singlet ground state (X1A'), the lowest triplet state (a3A″), and the open-shell singlet state (A1A″). The adiabatic electron affinity (EA) of the ground state, EA(X1A') = 0.87(1) eV, spectroscopically determined for the first time, compares to 1.10(2) eV for unsubstituted glyoxal. The EAs (adiabatic attachment energies) of two excited states of methylglyoxal were also determined: EA(a3A″) = 3.27(2) eV and EA(A1A″) = 3.614(9) eV. The photodetachment of the anion to each of these two states produces the neutral species near the respective structural equilibria; hence, the a3A″ ← X2A″ and A1A″ ← X2A″ photodetachment transitions are dominated by intense peaks at their respective origins. The lowest-energy photodetachment transition, on the other hand, involves significant geometry relaxation in the X1A' state, which corresponds to a 60° internal rotation of the methyl group, compared to the anion structure. Accordingly, the X1A' ← X2A″ transition is characterized as a broad, congested band, whose vertical detachment energy, VDE = 1.20(4) eV, significantly exceeds the adiabatic EA. The experimental results are in excellent agreement with the ab initio predictions using several equation-of-motion methodologies, combined with coupled-cluster theory.

  6. Excited state electron affinity calculations for aluminum

    Science.gov (United States)

    Hussein, Adnan Yousif

    2017-08-01

    Excited states of negative aluminum ion are reviewed, and calculations of electron affinities of the states (3s^23p^2)^1D and (3s3p^3){^5}{S}° relative to the (3s^23p)^2P° and (3s3p^2)^4P respectively of the neutral aluminum atom are reported in the framework of nonrelativistic configuration interaction (CI) method. A priori selected CI (SCI) with truncation energy error (Bunge in J Chem Phys 125:014107, 2006) and CI by parts (Bunge and Carbó-Dorca in J Chem Phys 125:014108, 2006) are used to approximate the valence nonrelativistic energy. Systematic studies of convergence of electron affinity with respect to the CI excitation level are reported. The calculated value of the electron affinity for ^1D state is 78.675(3) meV. Detailed Calculations on the ^5S°c state reveals that is 1216.8166(3) meV below the ^4P state.

  7. Study of first electronic transition and hydrogen bonding state of ultra-thin water layer of nanometer thickness on an α-alumina surface by far-ultraviolet spectroscopy

    Science.gov (United States)

    Goto, Takeyoshi; Kinugasa, Tomoya

    2018-05-01

    The first electronic transition (A˜ ← X˜) and the hydrogen bonding state of an ultra-thin water layer of nanometer thickness between two α-alumina surfaces (0.5-20 nm) were studied using far-ultraviolet (FUV) spectroscopy in the wavelength range 140-180 nm. The ultra-thin water layer of nanometer thickness was prepared by squeezing a water droplet ( 1 μL) between a highly polished α-alumina prism and an α-alumina plate using a high pressure clamp ( 4.7 MPa), and the FUV spectra of the water layer at different thicknesses were measured using the attenuated total reflection method. As the water layer became thinner, the A˜ ← X˜ bands were gradually shifted to higher or lower energy relative to that of bulk water; at thicknesses smaller than 4 nm, these shifts were substantial (0.1-0.2 eV) in either case. The FUV spectra of the water layer with thickness lost at thicknesses below 4 nm, because of steric hydration forces between the α-alumina surfaces.

  8. Two Electron States in a Quantum Ring on a Sphere

    International Nuclear Information System (INIS)

    Kazaryan, Eduard M.; Shahnazaryan, Vanik A.; Sarkisyan, Hayk A.

    2014-01-01

    Two electron states in a quantum ring on a spherical surface are discussed. The problem is discussed within the frameworks of Russell–Saunders coupling scheme, that is, the spin–orbit coupling is neglected. Treating Coulomb interaction as a perturbation, the energy correction for different states is calculated. The dependence of the Coulomb interaction energy on external polar boundary angle of quantum ring is obtained. In analogue with the helium atom the concept of states exchange time is introduced, and its dependence on geometrical parameters of the ring is shown. (author)

  9. Electron Conditioning of Technical Aluminium Surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Le Pimpec, F

    2004-09-02

    The effect of electron conditioning on commercially aluminium alloys 1100 and 6063 were investigated. Contrary to the assumption that electron conditioning, if performed long enough, can reduce and stabilize the SEY to low values (= 1.3, value of many pure elements [1]), the SEY of aluminium did not go lower than 1.8. In fact, it reincreases with continued electron exposure dose.

  10. Stability of the antiferromagnetic state in the electron doped iridates

    Science.gov (United States)

    Bhowal, Sayantika; Moradi Kurdestany, Jamshid; Satpathy, Sashi

    2018-06-01

    Iridates such as Sr2IrO4 are of considerable interest owing to the formation of the Mott insulating state driven by a large spin–orbit coupling. However, in contrast to the expectation from the Nagaoka theorem that a single doped hole or electron destroys the anti-ferromagnetic (AFM) state of the half-filled Hubbard model in the large U limit, the anti-ferromagnetism persists in the doped Iridates for a large dopant concentration beyond half-filling. With a tight-binding description of the relevant states by the third-neighbor (t 1, t 2, t 3, U) Hubbard model on the square lattice, we examine the stability of the AFM state to the formation of a spin spiral state in the strong coupling limit. The third-neighbor interaction t 3 is important for the description of the Fermi surface of the electron doped system. A phase diagram in the parameter space is obtained for the regions of stability of the AFM state. Our results qualitatively explain the robustness of the AFM state in the electron doped iridate (such as Sr2‑x La x IrO4), observed in many experiments, where the AFM state continues to be stable until a critical dopant concentration.

  11. Gravitational states of antihydrogen near material surface

    Energy Technology Data Exchange (ETDEWEB)

    Voronin, Alexei Yu., E-mail: dr.a.voronin@gmail.com [P.N. Lebedev Physical Institute (Russian Federation); Froelich, Piotr [Uppsala University, Department of Quantum Chemistry (Sweden); Nesvizhevsky, Valery V. [Institut Laue-Langevin (ILL) (France)

    2012-12-15

    We present a theoretical study of the motion of antihydrogen atoms in the Earth's gravitational field near a material surface. We predict the existence of long-living quasistationary states of antihydrogen in a superposition of the gravitational and Casimir-van der Waals potentials of the surface. We suggest an interferometric method of measuring the energy difference between such gravitational states, hence the gravitational mass of antihydrogen.

  12. Nanoscale electron transport at the surface of a topological insulator

    Science.gov (United States)

    Bauer, Sebastian; Bobisch, Christian A.

    2016-04-01

    The use of three-dimensional topological insulators for disruptive technologies critically depends on the dissipationless transport of electrons at the surface, because of the suppression of backscattering at defects. However, in real devices, defects are unavoidable and scattering at angles other than 180° is allowed for such materials. Until now, this has been studied indirectly by bulk measurements and by the analysis of the local density of states in close vicinity to defect sites. Here, we directly measure the nanoscale voltage drop caused by the scattering at step edges, which occurs if a lateral current flows along a three-dimensional topological insulator. The experiments were performed using scanning tunnelling potentiometry for thin Bi2Se3 films. So far, the observed voltage drops are small because of large contributions of the bulk to the electronic transport. However, for the use of ideal topological insulating thin films in devices, these contributions would play a significant role.

  13. Atomic and electronic structures of novel silicon surface structures

    Energy Technology Data Exchange (ETDEWEB)

    Terry, J.H. Jr.

    1997-03-01

    The modification of silicon surfaces is presently of great interest to the semiconductor device community. Three distinct areas are the subject of inquiry: first, modification of the silicon electronic structure; second, passivation of the silicon surface; and third, functionalization of the silicon surface. It is believed that surface modification of these types will lead to useful electronic devices by pairing these modified surfaces with traditional silicon device technology. Therefore, silicon wafers with modified electronic structure (light-emitting porous silicon), passivated surfaces (H-Si(111), Cl-Si(111), Alkyl-Si(111)), and functionalized surfaces (Alkyl-Si(111)) have been studied in order to determine the fundamental properties of surface geometry and electronic structure using synchrotron radiation-based techniques.

  14. Electron emission during multicharged ion-metal surface interactions

    International Nuclear Information System (INIS)

    Zeijlmans van Emmichoven, P.A.; Havener, C.C.; Hughes, I.G.; Overbury, S.H.; Robinson, M.T.; Zehner, D.M.; Meyer, F.W.

    1992-01-01

    The electron emission during multicharged ion-metal surface interactions will be discussed. The interactions lead to the emission of a significant number of electrons. Most of these electrons have energies below 30 eV. For incident ions with innershell vacancies the emission of Auger electrons that fill these vacancies has been found to occur mainly below the surface. We will present recently measured electron energy distributions which will be used to discuss the mechanisms that lead to the emission of Auger and of low-energy electrons

  15. Electronic properties of adsorbates and clean surfaces of metals and semiconductors

    International Nuclear Information System (INIS)

    Lecante, J.

    1980-01-01

    This paper surveys recent progress in experimental studies on electronic properties of adsorbates and clean metal surfaces. Electron spectroscopy and particularly angle resolved photoelectron spectroscopy appears to be a very powerful tool to get informations on electronic levels of adsorbates or clean surfaces. Moreover this technique may also give informations about the atomic geometry of the surface. Experimental investigation about surface plasmons, surface states, core level shifts are presented for clean surfaces. As examples of adsorbate covered surfaces two typical cases are chosen: two dimensional band structure and oriented molecules. Finally the photoelectron diffraction may be used for surface structure determination either in the case of an adsorbate or a clean metal surface [fr

  16. Surface and volume photoemission of hot electrons from plasmonic nanoantennas

    DEFF Research Database (Denmark)

    Uskov, Alexander V.; Protsenko, Igor E.; Ikhsanov, Renat S.

    2014-01-01

    We theoretically compare surface- and volume-based photoelectron emission from spherical nanoparticles, obtaining analytical expressions for the emission rate in both mechanisms. We show that the surface mechanism prevails, being unaffected by detrimental hot electron collisions.......We theoretically compare surface- and volume-based photoelectron emission from spherical nanoparticles, obtaining analytical expressions for the emission rate in both mechanisms. We show that the surface mechanism prevails, being unaffected by detrimental hot electron collisions....

  17. Electron stimulated desorption of gases at technological surfaces of aluminium

    International Nuclear Information System (INIS)

    Ding, M.Q.; Williams, E.M.

    1989-01-01

    The release of gas by electron bombardment at aluminium alloy surfaces in vacuum -9 torr has been investigated for a range of treatments including bakeout and glow discharge cleaning. Particular attention has been given to the role of continuous electron bombardment, with current densities and electron energies of up to 1.5 mA cm -2 and 2.0 keV, respectively, over the 10 cm 2 of surface area under irradiation. The observations of desorption efficiency, defined as the number of desorbed molecules per incident electron, conform to a model involving a dynamic balance between adsorption and desorption, with contributions to adsorption from both surface and sub-surface gas. Continuous electron bombardment promotes a surface with low desorption efficiency, -5 mol/electron, however, the conditioning cycle is accelerated significantly by glow discharge treatment. There is evidence of some short-term memory when the samples are exposed to air. (author)

  18. Warm electrons on the liquid 4He surface

    International Nuclear Information System (INIS)

    Saitoh, Motohiko

    1977-01-01

    Detailed theoretical analysis of non-Ohmic transport of electrons on the liquid 4 He surface is given. The correct form of the electron-ripplon scattering as well as the electron- 4 He gas scattering is taken into account. A characteristic electric field at which electron mobility deviates from the Ohmic value is estimated as a function of temperature and the holding field on the basis of the electron effective temperature approximation. (auth.)

  19. Photon density of states for deformed surfaces

    International Nuclear Information System (INIS)

    Emig, T

    2006-01-01

    A new approach to the Helmholtz spectrum for arbitrarily shaped boundaries and a rather general class of boundary conditions is introduced. We derive the boundary induced change of the density of states in terms of the free Green's function from which we obtain both perturbative and non-perturbative results for the Casimir interaction between deformed surfaces. As an example, we compute the lateral electrodynamic Casimir force between two corrugated surfaces over a wide parameter range. Universal behaviour, fixed only by the largest wavelength component of the surface shape, is identified at large surface separations. This complements known short distance expansions which are also reproduced

  20. Correlated electron motion, flux states and superconductivity

    International Nuclear Information System (INIS)

    Lederer, P.; Poilblanc, D.; Rice, T.K.

    1989-01-01

    This paper discusses how, when the on-site correlation is strong, electrons can move by usual hopping only on to empty sites but they can exchange position with their neighbors by a correlated motion. The phase in the former process is fixed and it favors Bloch states. When the concentration of empty sites is small then the latter process dominates and one is free to introduce a phase provided it is chosen to be the same for ↑ and ↓-spin electrons. Since for a partly filled band of non-interacting electrons the introduction of a uniform commensurate flux lowers the energy, the correlated motion can lead to a physical mechanism to generate flux states. These states have a collective gauge variable which is the same for ↑ and ↓-spins and superconducting properties are obtained by expanding around the optimum gauge determined by the usual kinetic energy term. If this latter term has singularities at special fillings then these may affect the superconducting properties

  1. High surface conductivity of Fermi-arc electrons in Weyl semimetals

    Science.gov (United States)

    Resta, Giacomo; Pi, Shu-Ting; Wan, Xiangang; Savrasov, Sergey Y.

    2018-02-01

    Weyl semimetals (WSMs), a new type of topological condensed matter, are currently attracting great interest due to their unusual electronic states and intriguing transport properties such as chiral anomaly induced negative magnetoresistance, a semiquantized anomalous Hall effect, and the debated chiral magnetic effect. These systems are close cousins of topological insulators (TIs) which are known for their disorder-tolerant surface states. Similarly, WSMs exhibit unique topologically protected Fermi-arc surface states. Here, we analyze electron-phonon scattering, a primary source of resistivity in metals at finite temperatures, as a function of the shape of the Fermi arc where we find that the impact on surface transport is significantly dependent on the arc curvature and disappears in the limit of a straight arc. Next, we discuss the effect of strong surface disorder on the resistivity by numerically simulating a tight-binding model with the presence of quenched surface vacancies using the coherent potential approximation and Kubo-Greenwood formalism. We find that the limit of a straight arc geometry is remarkably disorder tolerant, producing surface conductivity that is one to two orders of magnitude larger than a comparable setup with surface states of TI. This is primarily attributed to a significantly different hybridization strength of the surface states with the remaining electrons in two systems. Finally, a simulation of the effects of surface vacancies on TaAs is presented, illustrating the disorder tolerance of the topological surface states in a recently discovered WSM material.

  2. Self-consistent electronic structure of the contracted tungsten (001) surface

    International Nuclear Information System (INIS)

    Posternak, M.; Krakauer, H.; Freeman, A.J.

    1982-01-01

    Self-consistent linearized-augmented-plane-wave energy-band studies using the warped muffin-tin approximation for a seven-layer W(001) single slab with the surface-layer separation contracted by 6% of the bulk interlayer spacing are reported. Surface electronic structure, local densities of states, generalized susceptibility for the surface, work function, and core-level shifts are found to have insignificant differences with corresponding results for the unrelaxed surface. Several differences in surface states between theory and recent angle-resolved photoemission experiments are discussed in the light of new proposed models of the actual unreconstructed surface structure at high temperatures

  3. Surface influence on convoy electron emission at low energies

    International Nuclear Information System (INIS)

    Sanchez, E.A.

    1988-01-01

    It is studied the dependence of the production of convoy electrons induced by H + - 60 KeV with surface conditions of Al targets by in situ deposition of Na and O. The conclusion is that convoy electron production increases with the work function of the surface. (A.C.A.S.) [pt

  4. Surface sterilization by low energy electron beams

    International Nuclear Information System (INIS)

    Sekiguchi, Masayuki; Tabei, Masae

    1989-01-01

    The germicidal effectiveness of low energy electron beams (175 KV) against bacterial cells was investigated. The dry spores of Bacillus pumilus ATCC 27142 and Bacillus globigii ATCC 9372 inoculated on carrier materials and irradiated by gamma rays showed the exponential type of survival curves whereas they showed sigmoidal ones when exposed to low energy electron beams. When similarly irradiated, the wet spores inoculated on membrane filter showed the same survival curves as the dry spores inoculated on carrier materials. The wet vegetative cells of Escherichia coli ATCC 25922 showed exponential curves when exposed to gamma and electron beam irradiation. Low energy electron beams in air showed little differences from nitrogen stream in their germicidal effectiveness against dry spores of B. pumilus. The D values of B. pumilus spores inoculated on metal plates decreased as the amounts of backscattering electrons from the plates increased. There was adequate correlation between the D value (linear region of survival curve), average D value (6D/6) and 1% survival dose and backscattering factor. Depth dose profile and backscatterig dose of low energy electron beams were measured by radiochromic dye film dosimeter (RCD). These figures were not always in accord with the observed germicidal effectiveness against B. pumilus spores because of varying thickness of RCD and spores inoculated on carrier material. The dry spores were very thin and this thinness was useful in evaluating the behavior of low energy electrons. (author)

  5. Surface and interface electronic structure: Three year activity report

    International Nuclear Information System (INIS)

    Kevan, S.D.

    1992-01-01

    The 3-year activity report covers surface structure and phonon anomalies (surface reconstruction on W(001) and Mo(001), adsorbate lateral ordering, surface Fermi contours and phonon anomalies on Pt(111) and Pd(001)), adsorbate vibrational damping, charge transfer in momentum space: W(011)-K, surface states and resonances (relativistic effects ampersand computations, surface resonances)

  6. Neutralizing trapped electrons on the hydrogenated surface of a diamond amplifier

    Directory of Open Access Journals (Sweden)

    Xiangyun Chang

    2012-01-01

    Full Text Available We discuss our investigation of electron trapping in a diamond amplifier (DA. Our previous work demonstrated that some electrons reaching the DA’s hydrogenated surface are not emitted. The state and the removal of these electrons is important for DA applications. We found that these stopped electrons are trapped, and cannot be removed by a strong reversed-polarity electric field; to neutralize this surface charge, holes must be sent to the hydrogenated surface to recombine with the trapped electrons through the Shockley-Read-Hall surface-recombination mechanism. We measured the time taken for such recombination on the hydrogenated surface, viz. the recombination time, as less than 5 ns, limited by the resolution of our test system. With this measurement, we demonstrated that DA could be operated in an rf cavity with frequency of a few hundred megahertz.

  7. Superior MR images with electronically tuned and decoupled surface coils

    International Nuclear Information System (INIS)

    Ingwersen, H.; Freisen, L.; Friedrich, A.; Kess, H.; Krause, N.; Meissner, R.; Popp, W.

    1987-01-01

    In order to gain free positioning of surface coils in linearly polarized transmitting coils, it is absolutely necessary to electronically decouple both coils. For circularly polarized transmitting coils, decoupling is necessary in any case. In addition to the decoupling circuit automatic electronic tuning of the surface coils is used to gain the bast ratio of signal to noise. This combination of electronically decoupling and tuning of the surface coils yields intrinsic patient safety concerning local power deposition as well as free positioning and easy handling at the same time. Block diagrams, circuit schemes, and MR images obtained with several different surface coils are shown

  8. Topological surface states in nodal superconductors

    International Nuclear Information System (INIS)

    Schnyder, Andreas P; Brydon, Philip M R

    2015-01-01

    Topological superconductors have become a subject of intense research due to their potential use for technical applications in device fabrication and quantum information. Besides fully gapped superconductors, unconventional superconductors with point or line nodes in their order parameter can also exhibit nontrivial topological characteristics. This article reviews recent progress in the theoretical understanding of nodal topological superconductors, with a focus on Weyl and noncentrosymmetric superconductors and their protected surface states. Using selected examples, we review the bulk topological properties of these systems, study different types of topological surface states, and examine their unusual properties. Furthermore, we survey some candidate materials for topological superconductivity and discuss different experimental signatures of topological surface states. (topical review)

  9. Band mapping of surface states vs. adsorbate coverage

    International Nuclear Information System (INIS)

    Rotenberg, E.; Kevan, S.D.; Denlinger, J.D.; Chung, Jin-Wook

    1997-01-01

    The theory of electron bands, which arises from basic quantum mechanical principles, has been the cornerstone of solid state physics for over 60 years. Simply put, an energy band is an electron state in a solid whose energy varies with its momentum (similar to, but with a more complicated dependence than, how a free electron's energy is proportional to its momentum squared). Much attention over the last 15 years has been given to the study of band structure of surfaces and interfaces, especially as the applications of these two-dimensional systems have become increasingly important to industry and science. The ultraESCA endstation at beamline 7.01 at the Advanced Light Source was developed for very high-energy - (∼50 meV) and angular - ( 12 photons/sec) makes the detailed study of the evolution of bands possible. The authors are interested in learning how, when one forms a chemical bond between a metal and an overlaying atom or molecule, the resulting charge transfer to or from the adsorbate affects the surface bands. In some cases of interest, intermediate coverages lead to different band structure than at the extremes of clean and saturated surfaces. Surfaces of tungsten are particularly interesting, as their atomic geometry has been shown to be exquisitely sensitive to both the surface vibrational and electronic properties. In this study, the authors looked at the surface bands of tungsten ((110) surface), as a function both of coverage and mass of overlaying atoms. The adsorbed atoms were hydrogen and the alkali atoms lithium and cesium

  10. Surface properties and microporosity of polyhydroxybutyrate under scanning electron microscopy

    International Nuclear Information System (INIS)

    Raouf, A.A.; Samsudin, A.R.; Samian, R.; Akool, K.; Abdullah, N.

    2004-01-01

    This study was designed to investigate the surface properties especially surface porosity of polyhydroxybutyrate (PHB) using scanning electron microscopy. PHB granules were sprinkled on the double-sided sticky tape attached on a SEM aluminium stub and sputtered with gold (10nm thickness) in a Polaron SC515 Coater, following which the samples were placed into the SEM specimen chamber for viewing and recording. Scanning electron micrographs with different magnification of PHB surface revealed multiple pores with different sizes. (Author)

  11. Electronic states in a quantum lens

    International Nuclear Information System (INIS)

    Rodriguez, Arezky H.; Trallero-Giner, C.; Ulloa, S. E.; Marin-Antuna, J.

    2001-01-01

    We present a model to find analytically the electronic states in self-assembled quantum dots with a truncated spherical cap (''lens'') geometry. A conformal analytical image is designed to map the quantum dot boundary into a dot with semispherical shape. The Hamiltonian for a carrier confined in the quantum lens is correspondingly mapped into an equivalent operator and its eigenvalues and eigenfunctions for the corresponding Dirichlet problem are analyzed. A modified Rayleigh-Schro''dinger perturbation theory is presented to obtain analytical expressions for the energy levels and wave functions as a function of the spherical cap height b and radius a of the circular cross section. Calculations for a hard wall confinement potential are presented, and the effect of decreasing symmetry on the energy values and eigenfunctions of the lens-shape quantum dot is studied. As the degeneracies of a semicircular geometry are broken for b≠a, our perturbation approach allows tracking of the split states. Energy states and electronic wave functions with m=0 present the most pronounced influence on the reduction of the lens height. The method and expressions presented here can be straightforwardly extended to deal with more general Hamiltonians, including strains and valence-band coupling effects in Group III--V and Group II--VI self-assembled quantum dots

  12. The Effects of Surface Reconstruction and Electron-Positron Correlation on the Annihilation Characteristics of Positrons Trapped at Semiconductor Surfaces

    International Nuclear Information System (INIS)

    Fazleev, N. G.; Jung, E.; Weiss, A. H.

    2009-01-01

    Experimental positron annihilation induced Auger electron spectroscopy (PAES) data from Ge(100) and Ge(111) surfaces display several strong Auger peaks corresponding to M 4,5 N 1 N 2,3 , M 2,3 M 4,5 M 4,5 , M 2,3 M 4,5 V, and M 1 M 4,5 M 4,5 Auger transitions. The integrated peak intensities of Auger transitions have been used to obtain experimental annihilation probabilities for the Ge 3d and 3p core electrons. The experimental data were analyzed by performing theoretical studies of the effects of surface reconstructions and electron-positron correlations on image potential induced surface states and annihilation characteristics of positrons trapped at the reconstructed Ge(100) and Ge(111) surfaces. Calculations of positron surface states and annihilation characteristics have been performed for Ge(100) surface with (2x1), (2x2), and (4x2) reconstructions, and for Ge(111) surface with c(2x8) reconstruction. Estimates of the positron binding energy and annihilation characteristics reveal their sensitivity to the specific atomic structure of the topmost layers of the semiconductor and to the approximations used to describe electron-positron correlations. The results of these theoretical studies are compared with the ones obtained for the reconstructed Si(100)-(2x1) and Si(111)-(7x7) surfaces.

  13. Hydrophobicity of electron beam modified surface of hydroxyapatite films

    Energy Technology Data Exchange (ETDEWEB)

    Gregor, M., E-mail: gregor@fmph.uniba.sk [Department of Experimental Physics, Faculty of Mathematics, Physics and Informatics, Comenius University, 84248 Bratislava (Slovakia); Plecenik, T. [Department of Experimental Physics, Faculty of Mathematics, Physics and Informatics, Comenius University, 84248 Bratislava (Slovakia); Tofail, S.A.M. [Materials & Surface Science Institute, University of Limerick, Limerick (Ireland); Zahoran, M.; Truchly, M. [Department of Experimental Physics, Faculty of Mathematics, Physics and Informatics, Comenius University, 84248 Bratislava (Slovakia); Vargova, M. [Department of Inorganic Chemistry, Faculty of Natural Sciences, Comenius University, 84215 Bratislava (Slovakia); Laffir, F. [Materials & Surface Science Institute, University of Limerick, Limerick (Ireland); Plesch, G. [Department of Inorganic Chemistry, Faculty of Natural Sciences, Comenius University, 84215 Bratislava (Slovakia); Kus, P.; Plecenik, A. [Department of Experimental Physics, Faculty of Mathematics, Physics and Informatics, Comenius University, 84248 Bratislava (Slovakia)

    2015-05-15

    Highlights: • Surface potential of hydroxyapatite films were modified by focused electron beam. • Micron-sized domains of modified surface potential were created. • Wettability and surface free energy of the irradiated areas was studied. • Possible mechanisms of increased surface hydrophobicity are discussed. - Abstract: Arrays of micron-sized domains of modified surface potential were created on hydroxyapatite films by mid-energy (20 keV) electron beam irradiation available in a laboratory scanning electron microscope. The dosage of electron beam was varied between 10{sup −3} and 10{sup 3} μC/cm{sup 2} to inject charge into the film surface. Contrary to the conventional electrowetting theory, the dosage of injected charge used in creating such microdomains caused a gradual increase of the water contact angle from 57° to 93° due to the elimination of the polar component of the surface free energy. Surface contamination by carbonaceous species can be held only partially responsible for such behavior at lower dosage of electron beam. A transfer of free surface charge to water and an electron beam induced disruption of polar orientation of OH ions have been attributed to be influencial factors in the overall dewetting behavior.

  14. Electronic processes in organic electronics bridging nanostructure, electronic states and device properties

    CERN Document Server

    Kudo, Kazuhiro; Nakayama, Takashi; Ueno, Nobuo

    2015-01-01

    The book covers a variety of studies of organic semiconductors, from fundamental electronic states to device applications, including theoretical studies. Furthermore, innovative experimental techniques, e.g., ultrahigh sensitivity photoelectron spectroscopy, photoelectron yield spectroscopy, spin-resolved scanning tunneling microscopy (STM), and a material processing method with optical-vortex and polarization-vortex lasers, are introduced. As this book is intended to serve as a textbook for a graduate level course or as reference material for researchers in organic electronics and nanoscience from electronic states, fundamental science that is necessary to understand the research is described. It does not duplicate the books already written on organic electronics, but focuses mainly on electronic properties that arise from the nature of organic semiconductors (molecular solids). The new experimental methods introduced in this book are applicable to various materials (e.g., metals, inorganic and organic mater...

  15. The secondary electron yield of noble metal surfaces

    Directory of Open Access Journals (Sweden)

    L. A. Gonzalez

    2017-11-01

    Full Text Available Secondary electron yield (SEY curves in the 0-1000 eV range were measured on polycrystalline Ag, Au and Cu samples. The metals were examined as introduced in the ultra-high vacuum chamber and after having been cleaned by Ar+ ion sputtering. The comparison between the curves measured on the clean samples and in the presence of contaminants, due to the permanence in atmosphere, confirmed that the SEY behavior is strongly influenced by the chemical state of the metal surface. We show that when using very slow primary electrons the sample work function can be determined with high accuracy from the SEY curves. Moreover we prove that SEY is highly sensitive to the presence of adsorbates even at submonolayer coverage. Results showing the effect of small quantities of CO adsorbed on copper are presented. Our findings demonstrate that SEY, besides being an indispensable mean to qualify technical materials in many technological fields, can be also used as a flexible and advantageous diagnostics to probe surfaces and interfaces.

  16. Electron emission induced by resonant coherent ion-surface interaction at grazing incidence

    International Nuclear Information System (INIS)

    Garcia de Abajo, F.J.; Ponce, V.H.; Echenique, P.M.

    1992-01-01

    A new spectroscopy based on the resonant coherently induced electron loss to the continuum in ion-surface scattering under grazing incidence is proposed. A series of peaks, corresponding to the energy differences determined by the resonant interaction with the rows of atoms in the surface, is predicted to appear in the energy distribution of electrons emitted from electronic states bound to the probe. Calculations for MeV He + ions scattered at a W(001) surface along the left-angle 100 right-angle direction with a glancing angle of 0--2 mrad show a total yield close to 1

  17. First principle study of structural, electronic and fermi surface properties of aluminum praseodymium

    Science.gov (United States)

    Shugani, Mani; Aynyas, Mahendra; Sanyal, S. P.

    2018-05-01

    We present a structural, Electronic and Fermi surface properties of Aluminum Praseodymium (AlPr) using First-principles density functional calculation by using full potential linearized augmented plane wave (FP-LAPW) method within generalized gradient approximation (GGA). The ground state properties along with electronic and Fermi surface properties are studied. It is found that AlPr is metallic and the bonding between Al and Pr is covalent.

  18. Solvation of excess electrons trapped in charge pockets on molecular surfaces

    Science.gov (United States)

    Jalbout, Abraham F.

    This work considers the ability of hydrogen fluoride (HF) to solvate excess electrons located on cyclic hydrocarbon surfaces. The principle applied involves the formation of systems in which excess electrons can be stabilized not only on concentrated molecular surface charge pockets but also by HF. Recent studies have shown that OH groups can form stable hydrogen-bonded networks on one side of a hydrocarbon surface (i.e. cyclohexane sheets), at the same time, the hydrogen atoms on the opposite side of this surface form a pocket of positive charge can attract the excess electron. This density can be further stabilized by the addition of an HF molecule that can form an 'anion with an internally solvated electron' (AISE) state. These systems are shown to be stable with respect to vertical electron detachment (VDE).

  19. Positron annihilation induced Auger electron spectroscopic studies of oxide surfaces

    Science.gov (United States)

    Nadesalingam, Manori

    2005-03-01

    Defects on oxide surfaces are well known to play a key role in catalysis. TiO2, MgO, SiO2 surfaces were investigated using Time-Of-Flight Positron induced Auger Electron Spectroscopy (TOF-PAES). Previous work in bulk materials has demonstrated that positrons are particularly sensitive to charged defects. In PAES energetic electron emission results from Auger transitions initiated by annihilation of core electrons with positrons trapped in an image-potential well at the surface. Annealed samples in O2 environment show a strong Auger peak of Oxygen. The implication of these results will be discussed

  20. Preserving half-metallic surface states in Cr O2 : Insights into surface reconstruction rules

    Science.gov (United States)

    Deng, Bei; Shi, X. Q.; Chen, L.; Tong, S. Y.

    2018-04-01

    The issue of whether the half-metallic (HM) nature of Cr O2 could be retained at its surface has been a standing problem under debate for a few decades, but until now is still controversial. Here, based on the density functional theory calculations we show, in startling contrast to the previous theoretical understandings, that the surfaces of Cr O2 favorably exhibit a half-metallic-semiconducting (SmC) transition driven by means of a surface electronic reconstruction largely attributed to the participation of the unexpected local charge carriers (LCCs), which convert the HM double exchange surface state into a SmC superexchange state and in turn, stabilize the surface as well. On the basis of the LCCs model, a new insight into the surface reconstruction rules is attained. Our novel finding not only provided an evident interpretation for the widely observed SmC character of Cr O2 surface, but also offered a novel means to improve the HM surface states for a variety of applications in spintronics and superconductors, and promote the experimental realization of the quantum anomalous Hall effect in half-metal based systems.

  1. Structural and electronic properties of hydrosilylated silicon surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Baumer, A.

    2005-11-15

    The structural and electronic properties of alkyl-terminated Si surfaces prepared by thermallyinduced hydrosilylation have been studied in detail in the preceding chapters. Various surfaces have been used for the functionalization ranging from crystalline Si over amorphous hydrogenated Si to nanoscaled materials such as Si nanowires and nanoparticles. In each case, the alkyl-terminated surfaces have been compared to the native oxidized and H-terminated surfaces. (orig.)

  2. Final state effects in photoemission studies of Fermi surfaces

    International Nuclear Information System (INIS)

    Kurtz, Richard L; Browne, Dana A; Mankey, Gary J

    2007-01-01

    Photoelectron spectroscopy is one of the most important methods for extracting information about the Fermi surface (FS) of materials. An electron photoexcited from the FS is emitted from the crystal conserving the parallel momentum, k parallel , while the perpendicular momentum k perpendicular is reduced due to the surface potential barrier. A simple interpretation of the process assumes the final state is free-electron-like allowing one to 'map' the detected photoelectron back to its initial k momentum. There are multiple final state effects that can complicate the interpretation of photoelectron data and these effects are reviewed here. These can involve both energy and k broadening, which can give rise to shadow or ghost FS contours, scattering and final state diffraction effects that modify intensities, and matrix element effects which reflect the symmetries of the states involved and can be highly dependent on photon polarization. These matrix elements result in contours of photoelectron intensity that follow the dispersion in k-space of the initial state, the FS, and the final state. Locations where intensities go to zero due to matrix element and symmetry effects can result in gaps where FS contours 'disappear'. Recognition that these effects can play a significant role in determining the measured angular distributions is crucial in developing an informed model of where the FS contours actually lie in relation to measured intensity contours

  3. Hot-electron nanoscopy using adiabatic compression of surface plasmons

    KAUST Repository

    Giugni, Andrea

    2013-10-20

    Surface plasmon polaritons are a central concept in nanoplasmonics and have been exploited to develop ultrasensitive chemical detection platforms, as well as imaging and spectroscopic techniques at the nanoscale. Surface plasmons can decay to form highly energetic (or hot) electrons in a process that is usually thought to be parasitic for applications, because it limits the lifetime and propagation length of surface plasmons and therefore has an adverse influence on the functionality of nanoplasmonic devices. Recently, however, it has been shown that hot electrons produced by surface plasmon decay can be harnessed to produce useful work in photodetection, catalysis and solar energy conversion. Nevertheless, the surface-plasmon-to-hot-electron conversion efficiency has been below 1% in all cases. Here we show that adiabatic focusing of surface plasmons on a Schottky diode-terminated tapered tip of nanoscale dimensions allows for a plasmon-to-hot-electron conversion efficiency of ∼30%. We further demonstrate that, with such high efficiency, hot electrons can be used for a new nanoscopy technique based on an atomic force microscopy set-up. We show that this hot-electron nanoscopy preserves the chemical sensitivity of the scanned surface and has a spatial resolution below 50 nm, with margins for improvement.

  4. Hot-electron nanoscopy using adiabatic compression of surface plasmons

    KAUST Repository

    Giugni, Andrea; Torre, Bruno; Toma, Andrea; Francardi, Marco; Malerba, Mario; Alabastri, Alessandro; Proietti Zaccaria, Remo; Stockman, Mark Mark; Di Fabrizio, Enzo M.

    2013-01-01

    Surface plasmon polaritons are a central concept in nanoplasmonics and have been exploited to develop ultrasensitive chemical detection platforms, as well as imaging and spectroscopic techniques at the nanoscale. Surface plasmons can decay to form highly energetic (or hot) electrons in a process that is usually thought to be parasitic for applications, because it limits the lifetime and propagation length of surface plasmons and therefore has an adverse influence on the functionality of nanoplasmonic devices. Recently, however, it has been shown that hot electrons produced by surface plasmon decay can be harnessed to produce useful work in photodetection, catalysis and solar energy conversion. Nevertheless, the surface-plasmon-to-hot-electron conversion efficiency has been below 1% in all cases. Here we show that adiabatic focusing of surface plasmons on a Schottky diode-terminated tapered tip of nanoscale dimensions allows for a plasmon-to-hot-electron conversion efficiency of ∼30%. We further demonstrate that, with such high efficiency, hot electrons can be used for a new nanoscopy technique based on an atomic force microscopy set-up. We show that this hot-electron nanoscopy preserves the chemical sensitivity of the scanned surface and has a spatial resolution below 50 nm, with margins for improvement.

  5. Electron correlations in solid state physics

    International Nuclear Information System (INIS)

    Freericks, J.K.

    1991-04-01

    Exactly solvable models of electron correlations in solid state physics are presented. These models include the spinless Falicov- Kimball model, the t-t'-J model, and the Hubbard model. The spinless Falicov-Kimball model is analyzed in one-dimension. Perturbation theory and numerical techniques are employed to determine the phase diagram at zero temperature. A fractal structure is found where the ground-state changes (discontinuously) at each rational electron filling. The t-t'-J model (strongly interacting limit of a Hubbard model) is studied on eight-site small clusters in the simple-cubic, body-centered-cubic, face-centered-cubic, and square lattices. Symmetry is used to simplify the problem and determine the exact many-body wavefunctions. Ground states are found that exhibit magnetic order or heavy-fermionic character. Attempts to extrapolate to the thermodynamic limit are also made. The Hubbard model is examined on an eight-site square-lattice cluster in the presence of and in the absence of a ''magnetic field'' that couples only to orbital motion. A new magnetic phase is discovered for the ordinary Hubbard model at half-filling. In the ''magnetic field'' case, it is found that the strongly frustrated Heisenberg model may be studied from adiabatic continuation of a tight-binding model (from weak to strong coupling) at one point. The full symmetries of the Hamiltonian are utilized to make the exact diagonalization feasibile. Finally, the presence of ''hidden'' extra symmetry for finite size clusters with periodic boundary conditions is analyzed for a variety of clusters. Moderately sized systems allow nonrigid transformations that map a lattice onto itself preserving its neighbor structure; similar operations are not present in smaller or larger systems. The additional symmetry requires particular representations of the space group to stick together explaining many puzzling degeneracies found in exact diagonalization studies

  6. Nanoscale probing of bandgap states on oxide particles using electron energy-loss spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Qianlang [School for the Engineering of Matter, Transport and Energy, Arizona State University, 85287 AZ (United States); March, Katia [Laboratoire de Physique des Solides, Bâtiment 510, Université Paris-Sud, 91405 Orsay Cedex (France); Crozier, Peter A., E-mail: CROZIER@asu.edu [School for the Engineering of Matter, Transport and Energy, Arizona State University, 85287 AZ (United States)

    2017-07-15

    Surface and near-surface electronic states were probed with nanometer spatial resolution in MgO and TiO{sub 2} anatase nanoparticles using ultra-high energy resolution electron energy-loss spectroscopy (EELS) coupled to a scanning transmission electron microscope (STEM). This combination allows the surface electronic structure determined with spectroscopy to be correlated with nanoparticle size, morphology, facet etc. By acquiring the spectra in aloof beam mode, radiation damage to the surface can be significantly reduced while maintaining the nanometer spatial resolution. MgO and TiO{sub 2} showed very different bandgap features associated with the surface/sub-surface layer of the nanoparticles. Spectral simulations based on dielectric theory and density of states models showed that a plateau feature found in the pre-bandgap region in the spectra from (100) surfaces of 60 nm MgO nanocubes is consistent with a thin hydroxide surface layer. The spectroscopy shows that this hydroxide species gives rise to a broad filled surface state at 1.1 eV above the MgO valence band. At the surfaces of TiO{sub 2} nanoparticles, pronounced peaks were observed in the bandgap region, which could not be well fitted to defect states. In this case, the high refractive index and large particle size may make Cherenkov or guided light modes the likely causes of the peaks. - Highlights: • Bandgap states detected with aloof beam monochromated EELS on oxide nanoparticle surfaces. • Dielectric theory applied to simulate the spectra and interpret surface structure. • Density of states models also be employed to understand the surface electronic structure. • In MgO, one states associate with water species was found close to the valence band edge. • In anatase, two mid-gap states associated with point defects were found.

  7. Theory of hot electrons on the liquid 4He surface, 2

    International Nuclear Information System (INIS)

    Aoki, Takayuki; Saitoh, Motohiko

    1979-01-01

    Theoretical study is given of the high field transport of surface state electrons on the liquid 4 He. The explicit form of the electron distribution function is solved by the use of the Boltzmann transport equation where the electron-ripplon and electron-He gas interactions are considered as dominant scattering mechanisms, and the electron-electron interactions are completely neglected. Inter-subband and intra-subband transitions are treated equally. The S-shaped non-linear behaviors predicted to occur at low temperature region in the electron temperature approximation have been removed. Experimentally observed hysteresis, if any, in the widths of the plasmon resonance and cyclotron resonance may thus be attributed to the electron-electron interaction. (author)

  8. Scanning electron microscopic evaluation of root canal surfaces ...

    African Journals Online (AJOL)

    Scanning electron microscopic evaluation of root canal surfaces prepared with three rotary endodontic systems: Lightspeed, ProTaper and EndoWave. ... fracture with LightSpeed (LS), ProTaper (PT) and EndoWave (Ew) rotary instruments.

  9. Photon- and electron-induced surface voltage in electron spectroscopies on ZnSe(0 0 1)

    International Nuclear Information System (INIS)

    Cantoni, M.; Bertacco, R.; Brambilla, A.; Ciccacci, F.

    2009-01-01

    The surface band bending in ZnSe(0 0 1), as a function of the temperature, is investigated both in the valence band (by photoemission) and in the conduction band (by inverse photoemission and absorbed current spectroscopies). Two different mechanisms are invoked for interpreting the experimental data: the band bending due to surface states, and the surface voltage induced by the incident beam. While the latter is well known in photoemission (surface photovoltage), we demonstrate the existence of a similar effect in inverse photoemission and absorbed current spectroscopies, induced by the incident electrons instead of photons. These results point to the importance of considering the surface voltage effect even in electron-in techniques for a correct evaluation of the band bending.

  10. Surface characterization by energy distribution measurements of secondary electrons and of ion-induced electrons

    International Nuclear Information System (INIS)

    Bauer, H.E.; Seiler, H.

    1988-01-01

    Instruments for surface microanalysis (e.g. scanning electron or ion microprobes, emission electron or ion microscopes) use the current of emitted secondary electrons or of emitted ion-induced electrons for imaging of the analysed surface. These currents, integrating over all energies of the emitted low energy electrons, are however, not well suited to surface analytical purposes. On the contrary, the energy distribution of these electrons is extremely surface-sensitive with respect to shape, size, width, most probable energy, and cut-off energy. The energy distribution measurements were performed with a cylindrical mirror analyser and converted into N(E), if necessary. Presented are energy spectra of electrons released by electrons and argon ions of some contaminated and sputter cleaned metals, the change of the secondary electron energy distribution from oxidized aluminium to clean aluminium, and the change of the cut-off energy due to work function change of oxidized aluminium, and of a silver layer on a platinum sample. The energy distribution of the secondary electrons often shows detailed structures, probably due to low-energy Auger electrons, and is broader than the energy distribution of ion-induced electrons of the same object point. (author)

  11. Study of surface leakage current of AlGaN/GaN high electron mobility transistors

    International Nuclear Information System (INIS)

    Chen, YongHe; Zhang, Kai; Cao, MengYi; Zhao, ShengLei; Zhang, JinCheng; Hao, Yue; Ma, XiaoHua

    2014-01-01

    Temperature-dependent surface current measurements were performed to analyze the mechanism of surface conductance of AlGaN/GaN channel high-electron-mobility transistors by utilizing process-optimized double gate structures. Different temperatures and electric field dependence have been found in surface current measurements. At low electric field, the mechanism of surface conductance is considered to be two-dimensional variable range hopping. At elevated electric field, the Frenkel–Poole trap assisted emission governs the main surface electrons transportation. The extracted energy barrier height of electrons emitting from trapped state near Fermi energy level into a threading dislocations-related continuum state is 0.38 eV. SiN passivation reduces the surface leakage current by two order of magnitude and nearly 4 orders of magnitude at low and high electric fields, respectively. SiN also suppresses the Frenkel–Poole conductance at high temperature by improving the surface states of AlGaN/GaN. A surface treatment process has been introduced to further suppress the surface leakage current at high temperature and high field, which results in a decrease in surface current of almost 3 orders of magnitude at 476 K

  12. Surface analysis by electron spectroscopy. General concepts and applications

    International Nuclear Information System (INIS)

    Feliu, S.

    1993-01-01

    An introduction is made to the techniques of electron spectroscopy (XPS and AES) used in the study of surface phenomena. Their theoretical principles, the singular information supplied by these techniques and their basic instrumentation (vacuum systems, excitation sources and electron analysers) are described. A revision of their applications to the Materials Science and the Corrosion Sciences is also made. Author. 44 refs

  13. Engineered Surfaces to Control Secondary Electron Yield for Multipactor Suppression

    Science.gov (United States)

    2017-09-14

    Air Force Institute of Technology AFIT Scholar Theses and Dissertations 9-14-2017 Engineered Surfaces to Control Secondary Electron Yield for...Multipactor Suppression James M. Sattler Follow this and additional works at: https://scholar.afit.edu/etd Part of the Electrical and Electronics Commons... TECHNOLOGY Wright-Patterson Air Force Base, Ohio DISTRIBUTION STATEMENT A. APPROVED FOR PUBLIC RELEASE; DISTRIBUTION UNLIMITED

  14. Surface sensitization mechanism on negative electron affinity p-GaN nanowires

    Science.gov (United States)

    Diao, Yu; Liu, Lei; Xia, Sihao; Feng, Shu; Lu, Feifei

    2018-03-01

    The surface sensitization is the key to prepare negative electron affinity photocathode. The thesis emphasizes on the study of surface sensitization mechanism of p-type doping GaN nanowires utilizing first principles based on density function theory. The adsorption energy, work function, dipole moment, geometry structure, electronic structure and optical properties of Mg-doped GaN nanowires surfaces with various coverages of Cs atoms are investigated. The GaN nanowire with Mg doped in core position is taken as the sensitization base. At the initial stage of sensitization, the best adsorption site for Cs atom on GaN nanowire surface is BN, the bridge site of two adjacent N atoms. Surface sensitization generates a p-type internal surface with an n-type surface state, introducing a band bending region which can help reduce surface barrier and work function. With increasing Cs coverage, work functions decrease monotonously and the "Cs-kill" phenomenon disappears. For Cs coverage of 0.75 ML and 1 ML, the corresponding sensitization systems reach negative electron affinity state. Through surface sensitization, the absorption curves are red shifted and the absorption coefficient is cut down. All theoretical calculations can guide the design of negative electron affinity Mg doped GaN nanowires photocathode.

  15. Two dimensional electron gas confined over a spherical surface: Magnetic moment

    International Nuclear Information System (INIS)

    Hernando, A; Crespo, P; Garcia, M A

    2011-01-01

    Magnetism of capped nanoparticles, NPs, of non-magnetic substances as Au and ZnO is briefly reviewed. The source of the magnetization is discussed on the light of recent X-ray magnetic circular dichroism experiments. As magnetic dichroism analysis has pointed out impurity atoms bonded to the surface act as donor or acceptor of electrons that occupy the surface states. It is proposed that mesoscopic collective orbital magnetic moments induced at the surface states can account for the experimental magnetism characteristic of these nanoparticles. The total magnetic moment of the surface originated at the unfilled Fermi level can reach values as large as 10 2 or 10 3 Bohr magnetons.

  16. Nature of the surface states at the single-layer graphene/Cu(111) and graphene/polycrystalline-Cu interfaces

    NARCIS (Netherlands)

    Pagliara, S.; Tognolini, S.; Bignardi, L.; Galimberti, G.; Achilli, S.; Trioni, M. I.; van Dorp, W. F.; Ocelik, V.; Rudolf, P.; Parmigiani, F.

    2015-01-01

    Single-layer graphene supported on a metal surface has shown remarkable properties relevant for novel electronic and optoelectronic devices. However, the nature of the electronic states derived from unoccupied surface states and quantum well states, lying in the real-space gap between the graphene

  17. Theoretical modelling of semiconductor surfaces microscopic studies of electrons and photons

    CERN Document Server

    Srivastava, G P

    1999-01-01

    The state-of-the-art theoretical studies of ground state properties, electronic states and atomic vibrations for bulk semiconductors and their surfaces by the application of the pseudopotential method are discussed. Studies of bulk and surface phonon modes have been extended by the application of the phenomenological bond charge model. The coverage of the material, especially of the rapidly growing and technologically important topics of surface reconstruction and chemisorption, is up-to-date and beyond what is currently available in book form. Although theoretical in nature, the book provides

  18. Surface and interface electronic structure: Sixth year activity report

    International Nuclear Information System (INIS)

    Kevan, S.D.

    1992-01-01

    Several productive runs were made on beamline U4A at NSLS. An upgrade of angle-resolved photoemission spectrometer was largely completed on the beamline. Progress was made on studies of surface states and reconstruction on Mo(001) and W(001), and of surface states and resonances on Pt(111)

  19. Backscattering of projectile-bound electrons from solid surfaces

    International Nuclear Information System (INIS)

    Tobisch, M.; Schosnig, M.; Kroneberger, K.; Kuzel, M.; Maier, R.; Jung, M.; Fiedler, C.; Rothard, H.; Clouvas, A.; Suarez, S.; Groeneveld, K.O.

    1994-01-01

    The contribution of projectile ionization (PI) to secondary electron emission is studied by collision of H 2 + and H 3 + ions (400 keV/u and 700 keV/u) with carbon, copper and gold targets (600 A). The measured doubly differential intensity distribution shows a peak of lost projectile electrons near - v p . We describe the subtraction of the contribution of target ionization (TI), and compare the remaining electron intensities with a BEA calculation. For solids we observe a strong energy shift of the electron loss peak, which is compared with the influence of electron transport and binding energy. Furthermore, the low energy tail of the electron loss peak indicates the simultaneous occurrence of PI and TI. Finally we discuss the influence of surface conditions and the dependence of the observation angles on the measured electron intensities. (orig.)

  20. Electronic structure of the chromium dioxide (001) surface

    NARCIS (Netherlands)

    Leuken, H. van; Groot, R.A. de

    1995-01-01

    Local-density calculations on the CrO2 (001) surface are reported. The half-metallic character of the bulk is found to be maintained at the surface. Surface states of oxygen p character at the top of the valence band for the semiconducting spin direction are discussed.

  1. Mesoscopic Electronics in Solid State Nanostructures

    CERN Document Server

    Heinzel, Thomas

    2007-01-01

    This text treats electronic transport in the regime where conventional textbook models are no longer applicable, including the effect of electronic phase coherence, energy quantization and single-electron charging. This second edition is completely updated and expanded, and now comprises new chapters on spin electronics and quantum information processing, transport in inhomogeneous magnetic fields, organic/molecular electronics, and applications of field effect transistors. The book also provides an overview of semiconductor processing technologies and experimental techniques. With a number of

  2. Solving complex and disordered surface structures with electron diffraction

    International Nuclear Information System (INIS)

    Van Hove, M.A.

    1987-10-01

    The past of surface structure determination with low-energy electron diffraction (LEED) will be briefly reviewed, setting the stage for a discussion of recent and future developments. The aim of these developments is to solve complex and disordered surface structures. Some efficient solutions to the theoretical and experimental problems will be presented. Since the theoretical problems dominate, the emphasis will be on theoretical approaches to the calculation of the multiple scattering of electrons through complex and disordered surfaces. 49 refs., 13 figs., 1 tab

  3. Two-dimensional H2O-Cl2 and H2O-Br2 potential surfaces: an ab initio study of ground and valence excited electronic states.

    Science.gov (United States)

    Hernandez-Lamoneda, Ramón; Rosas, Victor Hugo Uc; Uruchurtu, Margarita I Bernal; Halberstadt, Nadine; Janda, Kenneth C

    2008-01-10

    All electron ab initio calculations for the interaction of H2O with Cl2 and Br2 are reported for the ground state and the lowest triplet and singlet Pi excited states as a function of both the X-X and O-X bond lengths (X = Cl or Br). For the ground state and lowest triplet state, the calculations are performed with the coupled cluster singles, doubles, and perturbative triple excitation level of correlation using an augmented triple-zeta basis set. For the 1Pi state the multireference average quadratic coupled cluster technique was employed. For several points on the potential, the calculations were repeated with the augmented quadruple-zeta basis set. The ground-state well depths were found to be 917 and 1,183 cm-1 for Cl2 and Br2, respectively, with the triple-zeta basis set, and they increased to 982 and 1,273 cm-1 for the quadruple-zeta basis set. At the geometry of the ground-state minimum, the lowest energy state corresponding to the unperturbed 1Pi states of the halogens increases in energy by 637 and 733 cm-1, respectively, relative to the ground-state dissociation limit of the H2O-X2 complex. Adding the attractive ground-state interaction energy to that of the repulsive excited state predicts a blue-shift, relative to that of the free halogen molecules, of approximately 1,600 cm-1 for H2O-Cl2 and approximately 2,000 cm-1 for H2O-Br2. These vertical blue-shifts for the dimers are greater than the shift of the band maximum upon solvation of either halogen in liquid water.

  4. Electronic collective modes and instabilities on semiconductor surfaces. I

    International Nuclear Information System (INIS)

    Muramatsu, A.; Hanke, W.

    1984-01-01

    A Green's-function theory of electronic collective modes is presented which leads to a practical scheme for a microscopic determination of surface elementary excitations in conducting as well as nonconducting solids. Particular emphasis is placed on semiconductor surfaces where the jellium approximation is not valid, due to the importance of density fluctuations on a microscopic scale (reflected in the local-field effects). Starting from the Bethe-Salpeter equation for the two-particle Green's function of the surface system, an equation of motion for the electron-hole pair is obtained. Its solutions determine the energy spectra, lifetimes, and amplitudes of the surface elementary excitations, i.e., surface plasmons, excitons, polaritons, and magnons. Exchange and correlation effects are taken into account through the random-phase and time-dependent Hartree-Fock (screened electron-hole attraction) approximations. The formalism is applied to the study of electronic (charge- and spin-density) instabilities at covalent semiconductor surfaces. Quantitative calculations for an eight-layer Si(111) slab display an instability of the ideal paramagnetic surface with respect to spin-density waves with wavelength nearly corresponding to (2 x 1) and (7 x 7) superstructures

  5. Nanoscale probing of bandgap states on oxide particles using electron energy-loss spectroscopy.

    Science.gov (United States)

    Liu, Qianlang; March, Katia; Crozier, Peter A

    2017-07-01

    Surface and near-surface electronic states were probed with nanometer spatial resolution in MgO and TiO 2 anatase nanoparticles using ultra-high energy resolution electron energy-loss spectroscopy (EELS) coupled to a scanning transmission electron microscope (STEM). This combination allows the surface electronic structure determined with spectroscopy to be correlated with nanoparticle size, morphology, facet etc. By acquiring the spectra in aloof beam mode, radiation damage to the surface can be significantly reduced while maintaining the nanometer spatial resolution. MgO and TiO 2 showed very different bandgap features associated with the surface/sub-surface layer of the nanoparticles. Spectral simulations based on dielectric theory and density of states models showed that a plateau feature found in the pre-bandgap region in the spectra from (100) surfaces of 60nm MgO nanocubes is consistent with a thin hydroxide surface layer. The spectroscopy shows that this hydroxide species gives rise to a broad filled surface state at 1.1eV above the MgO valence band. At the surfaces of TiO 2 nanoparticles, pronounced peaks were observed in the bandgap region, which could not be well fitted to defect states. In this case, the high refractive index and large particle size may make Cherenkov or guided light modes the likely causes of the peaks. Copyright © 2016 Elsevier B.V. All rights reserved.

  6. A surface diffuse scattering model for the mobility of electrons in surface charge coupled devices

    International Nuclear Information System (INIS)

    Ionescu, M.

    1977-01-01

    An analytical model for the mobility of electrons in surface charge coupled devices is studied on the basis of the results previously obtained, considering a surface diffuse scattering; the importance of the results obtained for a better understanding of the influence of the fringing field in surface charge coupled devices is discussed. (author)

  7. Treatment of surfaces with low-energy electrons

    Science.gov (United States)

    Frank, L.; Mikmeková, E.; Lejeune, M.

    2017-06-01

    Electron-beam-induced deposition of various materials from suitable precursors has represented an established branch of nanotechnology for more than a decade. A specific alternative is carbon deposition on the basis of hydrocarbons as precursors that has been applied to grow various nanostructures including masks for subsequent technological steps. Our area of study was unintentional electron-beam-induced carbon deposition from spontaneously adsorbed hydrocarbon molecules. This process traditionally constitutes a challenge for scanning electron microscopy practice preventing one from performing any true surface studies outside an ultrahigh vacuum and without in-situ cleaning of samples, and also jeopardising other electron-optical devices such as electron beam lithographs. Here we show that when reducing the energy of irradiating electrons sufficiently, the e-beam-induced deposition can be converted to e-beam-induced release causing desorption of hydrocarbons and ultimate cleaning of surfaces in both an ultrahigh and a standard high vacuum. Using series of experiments with graphene samples, we demonstrate fundamental features of e-beam-induced desorption and present results of checks for possible radiation damage using Raman spectroscopy that led to optimisation of the electron energy for damage-free cleaning. The method of preventing carbon contamination described here paves the way for greatly enhanced surface sensitivity of imaging and substantially reduced demands on vacuum systems for nanotechnological applications.

  8. Treatment of surfaces with low-energy electrons

    Energy Technology Data Exchange (ETDEWEB)

    Frank, L., E-mail: ludek@isibrno.cz [Institute of Scientific Instruments of the CAS, v.v.i., Královopolská 147, 61264 Brno (Czech Republic); Mikmeková, E. [Institute of Scientific Instruments of the CAS, v.v.i., Královopolská 147, 61264 Brno (Czech Republic); FEI Company, Achtseweg Noord 5, 5651 GG Eindhoven (Netherlands); Lejeune, M. [LPMC – Faculte des Sciences d’Amiens, Universite de Picardie Jules Verne, 33 rue Saint Leu, 80039 Amiens Cedex 2 (France)

    2017-06-15

    Highlights: • Using proper irradiation parameters, adsorbed hydrocarbons are released from surfaces. • Slow electrons remove hydrocarbons instead of depositing carbon. • Prolonged irradiation with very slow electrons does not create defects in graphene. - Abstract: Electron-beam-induced deposition of various materials from suitable precursors has represented an established branch of nanotechnology for more than a decade. A specific alternative is carbon deposition on the basis of hydrocarbons as precursors that has been applied to grow various nanostructures including masks for subsequent technological steps. Our area of study was unintentional electron-beam-induced carbon deposition from spontaneously adsorbed hydrocarbon molecules. This process traditionally constitutes a challenge for scanning electron microscopy practice preventing one from performing any true surface studies outside an ultrahigh vacuum and without in-situ cleaning of samples, and also jeopardising other electron-optical devices such as electron beam lithographs. Here we show that when reducing the energy of irradiating electrons sufficiently, the e-beam-induced deposition can be converted to e-beam-induced release causing desorption of hydrocarbons and ultimate cleaning of surfaces in both an ultrahigh and a standard high vacuum. Using series of experiments with graphene samples, we demonstrate fundamental features of e-beam-induced desorption and present results of checks for possible radiation damage using Raman spectroscopy that led to optimisation of the electron energy for damage-free cleaning. The method of preventing carbon contamination described here paves the way for greatly enhanced surface sensitivity of imaging and substantially reduced demands on vacuum systems for nanotechnological applications.

  9. Electron Emission by N6+ Ions Scattered at a Magnetized Iron Surface

    International Nuclear Information System (INIS)

    Solleder, B.; Lemell, C.; Burgdoerfer, J.; Tokesi, K.

    2006-01-01

    Complete text of publication follows. Magnetized materials are of considerable interest in the electronics industry (hard discs, spintronics, etc.). A detailed understanding of the properties of magnetized surfaces is therefore important to optimize technical applications. In the last decades, different experimental techniques have been developed to probe spin effects in magnetized materials. In this work the spin polarization of electrons emitted during the impact of N 6+ ions on a magnetized Fe surface is investigated. We study potential emission (PE) of electrons as well as secondary electron (SE) production and transport in the target with the help of Monte Carlo (MC) simulations. Spin dependence of electron transfer processes and of transport in the solid are included. Fig. 1 shows the results of our simulation for the energy distribution and spin polarization of emitted electrons in comparison with experimental data of Pfandzelter et al. [1] for the interaction of N 6+ ions with magnetized Fe. Electrons with energies higher than 200 eV are predominantly PE electrons, emitted close to the surface via autoionization (AI), Auger capture (AC) and Auger deexcitation (AD) channels. Low energy electrons are dominated by promoted, autoionized, and secondary electrons. The polarization of above surface electrons is determined by the high of the potential barrier separating projectile and target. At large distances, the barrier drops only slightly below the Fermi edge and enables transitions of electrons from this part of the band structure which has about 50% polarization. These electrons are transferred to high n states feeding promotion and AI processes between high lying states. Electrons emitted by these processes therefore reflect the polarization near the Fermi edge. Close to the surface, the barrier is low enough to allow for electron capture from the entire conduction band. K-Auger electrons are emitted in immediate vicinity of the surface and therefore mirror

  10. Electron holography at atomic dimensions -- Present state

    International Nuclear Information System (INIS)

    Lehmann, M.; Lichte, H.

    1999-01-01

    An electron microscope is a wave optical instrument where the object information is carried by an electron wave. However, an important information, the phase of the electron wave, is lost, because only intensities can be recorded in a conventional electron micrograph. Off-axis electron holography solves this phase problem by encoding amplitude and phase information in an interference pattern, the so-called hologram. After reconstruction, a rather unrestricted wave optical analysis can be performed on a computer. The possibilities as well as the current limitations of off-axis electron holography at atomic dimensions are discussed, and they are illustrated at two applications of structure characterization of ε-NbN and YBCO-1237. Finally, an electron microscope equipped with a Cs-corrector, a monochromator, and a Moellenstedt biprism is outlined for subangstrom holography

  11. Coherent states of an electron in a quantized electromagnetic wave

    International Nuclear Information System (INIS)

    Bagrov, V.G.; Bukhbinder, I.L.; Gitman, D.M.; Lavrov, P.M.

    1977-01-01

    Coherent states for interacting electrons and photons in a plane elecmagnetic wave are found. Trajectories of the electron and the characteristics of the electromagnetic field are investigated. Limiting transition to the given external field is studied

  12. Surface and Interface Physics of Correlated Electron Materials

    Energy Technology Data Exchange (ETDEWEB)

    Millis, Andrew [Columbia Univ., New York, NY (United States)

    2004-09-01

    The {\\it Surface and Interface Physics of Correlated Electron Materials} research program provided conceptual understanding of and theoretical methodologies for understanding the properties of surfaces and interfaces involving materials exhibiting strong electronic correlations. The issues addressed in this research program are important for basic science, because the behavior of correlated electron superlattices is a crucial challenge to and crucial test of our understanding of the grand-challenge problem of correlated electron physics and are important for our nation's energy future because correlated interfaces offer opportunities for the control of phenomena needed for energy and device applications. Results include new physics insights, development of new methods, and new predictions for materials properties.

  13. Ion bombardment effect on surface state of metal

    International Nuclear Information System (INIS)

    Vaulin, E.P.; Georgieva, N.E.; Martynenko, T.P.

    1990-01-01

    The effect of slow argon ion bombardment on the surface microstructure of polycrystalline copper as well as the effect of surface state on sputtering of D-16 polycrystalline alloy are experimentally studied. Reduction of copper surface roughness is observed. It is shown that the D-16 alloy sputtering coefficient is sensitive to the surface state within the limits of the destructed surface layer

  14. Electronic structure studies of a clock-reconstructed Al/Pd(1 0 0) surface alloy

    Science.gov (United States)

    Kirsch, Janet E.; Tainter, Craig J.

    We have employed solid-state Fenske-Hall band structure calculations to examine the electronic structure of Al/Pd(1 0 0), a surface alloy that undergoes a reconstruction, or rearrangement, of the atoms in the top few surface layers. Surface alloys are materials that consist primarily of a single elemental metal, but which have a bimetallic surface composition that is only a few atomic layers in thickness. The results of this study indicate that reconstruction into a clock configuration simultaneously optimizes the intralayer bonding within the surface plane and the bonding between the first and second atomic layers. These results also allow us to examine the fundamental relationship between the electronic and physical structures of this reconstructed surface alloy.

  15. Generation of attosecond electron packets via conical surface plasmon electron acceleration

    Science.gov (United States)

    Greig, S. R.; Elezzabi, A. Y.

    2016-01-01

    We present a method for the generation of high kinetic energy attosecond electron packets via magnetostatic and aperture filtering of conical surface plasmon (SP) accelerated electrons. The conical SP waves are excited by coupling an ultrafast radially polarized laser beam to a conical silica lens coated with an Ag film. Electromagnetic and particle tracking models are employed to characterize the ultrafast electron packets. PMID:26764129

  16. Spin-resolved photoemission of surface states of W(110)-(1x1)H

    International Nuclear Information System (INIS)

    Hochstrasser, M.; Tobin, J.G.; Rotenberg, Eli; Kevan, S.D.

    2002-01-01

    The surface electronic states of W(110)-(1x1)H have been measured using spin- and angle-resolved photoemission. We directly demonstrate that the surface bands are both split and spin-polarized by the spin-orbit interaction in association with the loss of inversion symmetry near a surface. We observe 100 percent spin polarization of the surface states, with the spins aligned in the plane of the surface and oriented in a circular fashion relative to the S-bar symmetry point. In contrast, no measurable polarization of nearby bulk states is observed

  17. Enhanced Electron-Phonon Coupling at Metal Surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Plummer, Ward E.

    2010-08-04

    The Born-Oppenheimer approximation (BOA) decouples electronic from nuclear motion, providing a focal point for most quantum mechanics textbooks. However, a multitude of important chemical, physical and biological phenomena are driven by violations of this approximation. Vibronic interactions are a necessary ingredient in any process that makes or breaks a covalent bond, for example, conventional catalysis or enzymatically delivered biological reactions. Metastable phenomena associated with defects and dopants in semiconductors, oxides, and glasses entail violation of the BOA. Charge exchange in inorganic polymers, organic slats and biological systems involves charge- induced distortions of the local structure. A classic example is conventional superconductivity, which is driven by the electron-lattice interaction. High-resolution angle-resolved photoemission experiments are yielding new insight into the microscopic origin of electron-phonon coupling (EPC) in anisotropic two-dimensional systems. Our recent surface phonon measurement on the surface of a high-Tc material clearly indicates an important momentum dependent EPC in these materials. In the last few years we have shifted our research focus from solely looking at electron phonon coupling to examining the structure/functionality relationship at the surface of complex transition metal compounds. The investigation on electron phonon coupling has allowed us to move to systems where there is coupling between the lattice, the electrons and the spin.

  18. Ground state of a hydrogen ion molecule immersed in an inhomogeneous electron gas

    International Nuclear Information System (INIS)

    Diaz-Valdes, J.; Gutierrez, F.A.; Matamala, A.R.; Denton, C.D.; Vargas, P.; Valdes, J.E.

    2007-01-01

    In this work we have calculated the ground state energy of the hydrogen molecule, H 2 + , immersed in the highly inhomogeneous electron gas around a metallic surface within the local density approximation. The molecule is perturbed by the electron density of a crystalline surface of Au with the internuclear axis parallel to the surface. The surface spatial electron density is calculated through a linearized band structure method (LMTO-DFT). The ground state of the molecule-ion was calculated using the Born-Oppenheimer approximation for a fixed-ion while the screening effects of the inhomogeneous electron gas are depicted by a Thomas-Fermi like electrostatic potential. We found that within our model the molecular ion dissociates at the critical distance of 2.35a.u. from the first atomic layer of the solid

  19. Electron Stimulated Desorption of Condensed Gases on Cryogenic Surfaces

    CERN Document Server

    Tratnik, H; Hilleret, Noël

    2005-01-01

    In ultra-high vacuum systems outgassing from vacuum chamber walls and desorption from surface adsorbates are usually the factors which in°uence pressure and residual gas composition. In particular in beam vacuum systems of accelerators like the LHC, where surfaces are exposed to intense synchro- tron radiation and bombardment by energetic ions and electrons, properties like the molecular desorption yield or secondary electron yield can strongly in°uence the performance of the accelerator. In high-energy particle accelerators operating at liquid helium temperature, cold surfaces are exposed to the bombardment of energetic photons, electrons and ions. The gases released by the subsequent desorption are re-condensed on the cold surfaces and can be re-desorbed by the impinging electrons and ions. The equilibrium coverage reached on the surfaces exposed to the impact of energetic particles depends on the desorption yield of the condensed gases and can a®ect the operation of the accelerator by modifying th...

  20. The powerful pulsed electron beam effect on the metallic surfaces

    International Nuclear Information System (INIS)

    Neklyudov, I.M.; Yuferov, V.B.; Kosik, N.A.; Druj, O.S.; Skibenko, E.I.

    2001-01-01

    Experimental results of the influence of powerful pulsed electron beams on the surface structure,hardness and corrosion resistance of the Cr18ni10ti steel are presented. The experiments were carried out in the powerful electron accelerators of directional effect VGIK-1 and DIN-2K with an energy up to approx 300 KeV and a power density of 10 9 - 10 11 W/cm 2 for micro- and nanosecond range. The essential influence of the irradiation power density on the material structure was established. Pulsed powerful beam action on metallic surface leads to surface melting,modification of the structure and structure-dependent material properties. The gas emission and mass-spectrometer analysis of the beam-surface interaction were defined

  1. Surface morphology and electronic structure of Ni/Ag(100)

    International Nuclear Information System (INIS)

    Hite, D. A.; Kizilkaya, O.; Sprunger, P. T.; Howard, M. M.; Ventrice, C. A. Jr.; Geisler, H.; Zehner, D. M.

    2000-01-01

    The growth morphology and electronic structure of Ni on Ag(100) has been studied with scanning tunneling microscopy (STM) and synchrotron based angle resolved photoemission spectroscopy. At deposition temperatures at or below 300 K, STM reveals Ni cluster growth on the surface along with some subsurface growth. Upon annealing to 420 K, virtually all Ni segregates into the subsurface region forming embedded nanoclusters. The electronic structure of Ni d bands in the unannealed surface shows dispersion only perpendicular to the surface whereas the annealed surface has Ni d bands that exhibit a three-dimensional-like structure. This is a result of the increased Ni d-Ag sp hybridization bonding and increased coordination of the embedded Ni nanoclusters. (c) 2000 American Vacuum Society

  2. Defect and structural imperfection effects on the electronic properties of BiTeI surfaces

    International Nuclear Information System (INIS)

    Fiedler, Sebastian; Seibel, Christoph; Lutz, Peter; Bentmann, Hendrik; Reinert, Friedrich; El-Kareh, Lydia; Bode, Matthias; Eremeev, Sergey V; Tereshchenko, Oleg E; Kokh, Konstantin A; Chulkov, Evgueni V; Kuznetsova, Tatyana V; Grebennikov, Vladimir I

    2014-01-01

    The surface electronic structure of the narrow-gap seminconductor BiTeI exhibits a large Rashba-splitting which strongly depends on the surface termination. Here we report on a detailed investigation of the surface morphology and electronic properties of cleaved BiTeI single crystals by scanning tunneling microscopy, photoelectron spectroscopy (ARPES, XPS), electron diffraction (SPA-LEED) and density functional theory calculations. Our measurements confirm a previously reported coexistence of Te- and I-terminated surface areas originating from bulk stacking faults and find a characteristic length scale of ∼100 nm for these areas. We show that the two terminations exhibit distinct types of atomic defects in the surface and subsurface layers. For electronic states resided on the I terminations we observe an energy shift depending on the time after cleavage. This aging effect is successfully mimicked by depositon of Cs adatoms found to accumulate on top of the I terminations. As shown theoretically on a microscopic scale, this preferential adsorbing behaviour results from considerably different energetics and surface diffusion lengths at the two terminations. Our investigations provide insight into the importance of structural imperfections as well as intrinsic and extrinsic defects on the electronic properties of BiTeI surfaces and their temporal stability. (paper)

  3. Electron tunneling in tantalum surface layers on niobium

    International Nuclear Information System (INIS)

    Ruggiero, S.T.; Track, E.K.; Prober, D.E.; Arnold, G.B.; DeWeert, M.J.

    1986-01-01

    We have performed electron tunneling measurements on tantalum surface layers on niobium. The tunnel junctions comprise 2000-A-circle Nb base electrodes with 10--100-A-circle in situ--deposited Ta overlayers, an oxide barrier, and Ag, Pb, or Pb-Bi alloy counterelectrodes. The base electrodes were prepared by ion-beam sputter deposition. The characteristics of these junctions have been studied as a function of Ta-layer thickness. These include the critical current, bound-state energy, phonon structure, and oxide barrier shape. We have compared our results for the product I/sub c/R versus tantalum-layer thickness with an extended version of the Gallagher theory which accounts for both the finite mean free path in the Ta overlayers and suppression of the I/sub c/R product due to strong-coupling effects. Excellent fits to the data yield a value of the intrinsic scattering probability for electrons at the Ta/Nb interface of r 2 = 0.01. This is consistent with the value expected from simple scattering off the potential step created by the difference between the Fermi energies of Ta and Nb. We have found a universal empirical correlation in average barrier height phi-bar and width s in the form phi-bar = 6 eV/(s-10 A-circle) for measured junctions which holds both for our data and results for available data in the literature for oxide-barrier junctions. The latter are composed of a wide variety of base and counterelectrode materials. These results are discussed in the general context of oxide growth and compared with results for artificial tunnel barriers

  4. Treatment of surfaces with low-energy electrons

    Czech Academy of Sciences Publication Activity Database

    Frank, Luděk; Mikmeková, Eliška; Lejeune, M.

    2017-01-01

    Roč. 407, JUN 15 (2017), s. 105-108 ISSN 0169-4332 R&D Projects: GA TA ČR(CZ) TE01020118; GA MŠk(CZ) LO1212; GA MŠk ED0017/01/01 Institutional support: RVO:68081731 Keywords : Low- energy electrons * Electron beam induced release * Graphene * Ultimate cleaning of surfaces Subject RIV: JA - Electronics ; Optoelectronics, Electrical Engineering OBOR OECD: Nano-processes (applications on nano-scale) Impact factor: 3.387, year: 2016

  5. Surface electronic transport measurements: A micro multi-point probe approach

    DEFF Research Database (Denmark)

    Barreto, Lucas

    2014-01-01

    This work is mostly focused on the study of electronic transport properties of two-dimensional materials, in particular graphene and topological insulators. To study these, we have improved a unique micro multi-point probe instrument used to perform transport measurements. Not only the experimental...... quantities are extracted, such as conductivity, carrier density and carrier mobility. • A method to insulate electrically epitaxial graphene grown on metals, based on a stepwise intercalation methodology, is developed and transport measurements are performed in order to test the insulation. • We show...... a direct measurement of the surface electronic transport on a bulk topological insulator. The surface state conductivity and mobility are obtained. Apart from transport properties, we also investigate the atomic structure of the Bi2Se3(111) surface via surface x-ray diraction and low-energy electron...

  6. Controlling electron transfer processes on insulating surfaces with the non-contact atomic force microscope.

    Science.gov (United States)

    Trevethan, Thomas; Shluger, Alexander

    2009-07-01

    We present the results of theoretical modelling that predicts how a process of transfer of single electrons between two defects on an insulating surface can be induced using a scanning force microscope tip. A model but realistic system is employed which consists of a neutral oxygen vacancy and a noble metal (Pt or Pd) adatom on the MgO(001) surface. We show that the ionization potential of the vacancy and the electron affinity of the metal adatom can be significantly modified by the electric field produced by an ionic tip apex at close approach to the surface. The relative energies of the two states are also a function of the separation of the two defects. Therefore the transfer of an electron from the vacancy to the metal adatom can be induced either by the field effect of the tip or by manipulating the position of the metal adatom on the surface.

  7. An experimental study of electron transfer and emission during particle-surface interactions

    International Nuclear Information System (INIS)

    McGrath, C.T.

    2000-09-01

    A new coincidence technique has been developed and used to study the secondary electron emission that arises during the interaction of ions with surfaces. This coincidence technique allows the secondary electron emission statistics due to the impact of singly, doubly and multiply charged ions on surfaces to be measured in coincidence with reflected particles, in specific charge states and with specific post-collision trajectories. This system has been used to study the impact of 8 keV H + ions on polycrystalline copper and aluminium targets. Under these conditions the potential emission contribution is negligible and the electron emission is almost entirely due to kinetic emission processes. The sub-surface contribution to the observed electron emission has been isolated using two newly developed models. These models provide valuable information about the depth and amount of surface penetration and on the probability for subsequent electron transport to the surface. The impact of 2 - 100 keV Xe q+ (q = 1 - 10) ions on polycrystalline copper has also been studied using this system. From the subsequent data the potential and kinetic contributions to secondary electron emission have been separated using a previously established model for potential emission. The resulting kinetic emission yield increases with increasing ion impact energy, consistent with current concepts on quasimolecular ionisation. For ions impacting at large incident angles evidence for sub-surface emission has also been observed. The degree of penetration increases with ion impact energy, consistent with current concepts on this effect. The formation of H - ions from incident H + ions has also been studied by measuring the secondary electron emission statistics in coincidence with reflected particles in specific final charge states. This preliminary data is consistent with a two-step process of Auger neutralisation followed by resonant electron capture to the affinity level. However this mechanism

  8. Observation of melt surface depressions during electron beam evaporation

    International Nuclear Information System (INIS)

    Ohba, Hironori; Shibata, Takemasa

    2000-08-01

    Depths of depressed surface of liquid gadolinium, cerium and copper during electron beam evaporation were measured by triangulation method using a CCD camera. The depression depths estimated from the balance of the vapor pressure and the hydrostatic pressure at the evaporation surface agreed with the measured values. The periodic fluctuation of atomic beam was observed when the depression of 3∼4 mm in depth was formed at the evaporation spot. (author)

  9. Temperature profiles on the gadolinium surface during electron beam evaporation

    Energy Technology Data Exchange (ETDEWEB)

    Ohba, Hironori; Shibata, Takemasa [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment

    1995-03-01

    The distributions of surface temperature of gadolinium in a water-cooled copper crucible during electron beam evaporation were measured by optical pyrometry. The surface temperatures were obtained from the radiation intensity ratio of the evaporating surface and a reference light source using Planck`s law of radiation. The emitted radiation from the evaporating surface and a reference source was detected by a CCD sensor through a band pass filter of 650 nm. The measured surface temperature generally agreed with those estimated from the deposition rate and the data of the saturated vapor pressure. At high input powers, it was found that the measured value had small difference with the estimated one due to variation of the surface condition. (author).

  10. Temperature profiles on the gadolinium surface during electron beam evaporation

    International Nuclear Information System (INIS)

    Ohba, Hironori; Shibata, Takemasa

    1995-01-01

    The distributions of surface temperature of gadolinium in a water-cooled copper crucible during electron beam evaporation were measured by optical pyrometry. The surface temperatures were obtained from the radiation intensity ratio of the evaporating surface and a reference light source using Planck's law of radiation. The emitted radiation from the evaporating surface and a reference source was detected by a CCD sensor through a band pass filter of 650 nm. The measured surface temperature generally agreed with those estimated from the deposition rate and the data of the saturated vapor pressure. At high input powers, it was found that the measured value had small difference with the estimated one due to variation of the surface condition. (author)

  11. Electron emission induced by resonant coherent interaction in ion-surface scattering at grazing incidence

    International Nuclear Information System (INIS)

    Garcia de Abajo, F.J.; Ponce, V.H.; Echenique, P.M.

    1994-01-01

    The resonant coherent interaction of an ion with an oriented crystal surface, under grazing-incidence conditions with respect to a special direction of the crystal, gives rise to electron loss to the continuum from electronic bound states of the ion. The calculations presented below predict large probabilities for electron emission due to this mechanism. The electrons are emitted with well defined energies, expressed in terms of the condition of resonance. Furthermore, the emission takes place around certain preferential directions, which are determined by both the latter condition and the symmetry of the surface lattice. Our calculations for MeV He + ions scattered at a W(001) surface along the left-angle 100 right-angle direction with glancing angle of 0--2 mrad indicate a yield of emission close to 1. Using heavier projectiles, one obtains smaller yields, but still large enough to be measurable in some cases (e.g., ∼0.9 for 53 MeV B 4+ and an angle of incidence of 1 mrad). Besides, the initial bound state is energy shifted due to the interaction with both the crystal potential and the velocity-dependent image potential. This results in a slight shift of the peaks of emission, which suggests a possible spectroscopy for analyzing the dynamical interaction of electronic bound states with solid surfaces

  12. Excess electrons at anatase TiO2 surfaces and interfaces: insights from first principles simulations

    Science.gov (United States)

    Selçuk, Sencer; Selloni, Annabella

    2017-07-01

    TiO2 is an important technological material with widespread applications in photocatalysis, photovoltaics and self-cleaning surfaces. Excess electrons from intrinsic defects, dopants and photoexcitation play a key role in the properties of TiO2 that are relevant to its energy-related applications. The picture of excess and photoexcited electrons in TiO2 is based on the polaron model, where the electron forms a localized state that is stabilized by an accompanying lattice distortion. Here, we focus on excess and photoexcited electrons in anatase, the TiO2 polymorph most relevant to photocatalysis and solar energy conversion. For anatase, evidence of both small and large electron polarons has been reported in the literature. In addition, several studies have revealed a remarkable dependence of the photocatalytic activity of anatase on the crystal surface. After an overview of experimental studies, we briefly discuss recent progress in the theoretical description of polaronic states in TiO2, and finally present a more detailed account of our computational studies on the trapping and dynamics of excess electrons near the most common anatase surfaces and aqueous interfaces. The results of these studies provide a bridge between surface science experiments under vacuum conditions and observations of crystal-face-dependent photocatalysis on anatase, and support the idea that optimization of the ratio between different anatase facets can help enhance the photocatalytic activity of this material.

  13. Guide to state-of-the-art electron devices

    CERN Document Server

    2013-01-01

    Concise, high quality and comparative overview of state-of-the-art electron device development, manufacturing technologies and applications Guide to State-of-the-Art Electron Devices marks the 60th anniversary of the IEEE Electron Devices Committee and the 35th anniversary of the IEEE Electron Devices Society, as such it defines the state-of-the-art of electron devices, as well as future directions across the entire field. Spans full range of electron device types such as photovoltaic devices, semiconductor manufacturing and VLSI technology and circuits, covered by IEEE Electron and Devices Society Contributed by internationally respected members of the electron devices community A timely desk reference with fully-integrated colour and a unique lay-out with sidebars to highlight the key terms Discusses the historical developments and speculates on future trends to give a more rounded picture of the topics covered A valuable resource R&D managers; engineers in the semiconductor industry; applied scientists...

  14. Theoretical studies of positron states and annihilation characteristics at the oxidized Cu(100) surface

    Energy Technology Data Exchange (ETDEWEB)

    Fazleev, N. G. [Department of Physics, Box 19059, University of Texas at Arlington, Arlington Texas 76019 (United States) and Institute of Physics, Kazan Federal University, Kremlevskaya18, Kazan 420008 (Russian Federation); Weiss, A. H. [Department of Physics, Box 19059, University of Texas at Arlington, Arlington Texas 76019 (United States)

    2013-04-19

    In this work we present the results of theoretical studies of positron surface and bulk states and annihilation probabilities of surface-trapped positrons with relevant core electrons at the oxidized Cu(100) surface under conditions of high oxygen coverage. An ab-initio study of the electronic properties of the Cu(100) missing row reconstructed surface at various on surface and sub-surface oxygen coverages has been performed on the basis of the density functional theory (DFT) using the Dmol3 code and the generalized gradient approximation (GGA). Surface structures in calculations have been constructed by adding oxygen atoms to various surface hollow and sub-surface octahedral sites of the 0.5 monolayer (ML) missing row reconstructed phase of the Cu(100) surface with oxygen coverages ranging from 0.5 to 1.5 ML. The charge redistribution at the surface and variations in atomic structure and chemical composition of the topmost layers associated with oxidation and surface reconstruction have been found to affect the spatial extent and localization of the positron surface state wave function and annihilation probabilities of surface trapped positrons with relevant core electrons. Theoretical results are compared with experimental data obtained from studies of oxidation of the Cu(100) surface using positron annihilation induced Auger electron spectroscopy (PAES). It has been shown that positron annihilation probabilities with Cu 3s and 3p core electrons decrease when total (on-surface and sub-surface) oxygen coverage of the Cu(100) surface increases up to 1 ML. The calculations show that for high oxygen coverage when total oxygen coverage is 1. 5 ML the positron is not bound to the surface.

  15. Electronic excited states and relaxation dynamics in polymer heterojunction systems

    Science.gov (United States)

    Ramon, John Glenn Santos

    The potential for using conducting polymers as the active material in optoelectronic devices has come to fruition in the past few years. Understanding the fundamental photophysics behind their operations points to the significant role played by the polymer interface in their performance. Current device architectures involve the use of bulk heterojunctions which intimately blend the donor and acceptor polymers to significantly increase not only their interfacial surface area but also the probability of exciton formation within the vicinity of the interface. In this dissertation, we detail the role played by the interface on the behavior and performance of bulk heterojunction systems. First, we explore the relation between the exciton binding energy to the band offset in determining device characteristics. As a general rule, when the exciton binding energy is greater than the band offset, the exciton remains the lowest energy excited state leading to efficient light-emitting properties. On the other hand, if the offset is greater than the binding energy, charge separation becomes favorable leading to better photovoltaic behavior. Here, we use a Wannier function, configuration interaction based approach to examine the essential excited states and predict the vibronic absorption and emission spectra of the PPV/BBL, TFB/F8BT and PFB/F8BT heterojunctions. Our results underscore the role of vibrational relaxation in the formation of charge-transfer states following photoexcitation. In addition, we look at the relaxation dynamics that occur upon photoexcitation. For this, we adopt the Marcus-Hush semiclassical method to account for lattice reorganization in the calculation of the interconversion rates in TFB/F8BT and PFB/F8BT. We find that, while a tightly bound charge-transfer state (exciplex) remains the lowest excited state, a regeneration pathway to the optically active lowest excitonic state in TFB/F8BT is possible via thermal repopulation from the exciplex. Finally

  16. Atomic-scale luminescence measurement and theoretical analysis unveiling electron energy dissipation at a p-type GaAs(110) surface

    International Nuclear Information System (INIS)

    Imada, Hiroshi; Miwa, Kuniyuki; Jung, Jaehoon; Shimizu, Tomoko K; Kim, Yousoo; Yamamoto, Naoki

    2015-01-01

    Luminescence of p-type GaAs was induced by electron injection from the tip of a scanning tunnelling microscope into a GaAs(110) surface. Atomically-resolved photon maps revealed a significant reduction in luminescence intensity at surface electronic states localized near Ga atoms. Theoretical analysis based on first principles calculations and a rate equation approach was performed to describe the perspective of electron energy dissipation at the surface. Our study reveals that non-radiative recombination through the surface states (SS) is a dominant process for the electron energy dissipation at the surface, which is suggestive of the fast scattering of injected electrons into the SS. (paper)

  17. Surface conduction of topological Dirac electrons in bulk insulating Bi2Se3

    Science.gov (United States)

    Fuhrer, Michael

    2013-03-01

    The three dimensional strong topological insulator (STI) is a new phase of electronic matter which is distinct from ordinary insulators in that it supports on its surface a conducting two-dimensional surface state whose existence is guaranteed by topology. I will discuss experiments on the STI material Bi2Se3, which has a bulk bandgap of 300 meV, much greater than room temperature, and a single topological surface state with a massless Dirac dispersion. Field effect transistors consisting of thin (3-20 nm) Bi2Se3 are fabricated from mechanically exfoliated from single crystals, and electrochemical and/or chemical gating methods are used to move the Fermi energy into the bulk bandgap, revealing the ambipolar gapless nature of transport in the Bi2Se3 surface states. The minimum conductivity of the topological surface state is understood within the self-consistent theory of Dirac electrons in the presence of charged impurities. The intrinsic finite-temperature resistivity of the topological surface state due to electron-acoustic phonon scattering is measured to be ~60 times larger than that of graphene largely due to the smaller Fermi and sound velocities in Bi2Se3, which will have implications for topological electronic devices operating at room temperature. As samples are made thinner, coherent coupling of the top and bottom topological surfaces is observed through the magnitude of the weak anti-localization correction to the conductivity, and, in the thinnest Bi2Se3 samples (~ 3 nm), in thermally-activated conductivity reflecting the opening of a bandgap.

  18. Direct measurement of surface-state conductance by microscopic four-point probe method

    DEFF Research Database (Denmark)

    Hasegawa, S.; Shiraki, I.; Tanikawa, T.

    2002-01-01

    For in situ measurements of local electrical conductivity of well defined crystal surfaces in ultrahigh vacuum, we have developed microscopic four-point probes with a probe spacing of several micrometres, installed in a scanning-electron - microscope/electron-diffraction chamber. The probe...... is precisely positioned on targeted areas of the sample surface by using piezoactuators. This apparatus enables conductivity measurement with extremely high surface sensitivity, resulting in direct access to surface-state conductivity of the surface superstructures, and clarifying the influence of atomic steps...

  19. Probing Ultrafast Electron Dynamics at Surfaces Using Soft X-Ray Transient Reflectivity Spectroscopy

    Science.gov (United States)

    Baker, L. Robert; Husek, Jakub; Biswas, Somnath; Cirri, Anthony

    The ability to probe electron dynamics with surface sensitivity on the ultrafast time scale is critical for understanding processes such as charge separation, injection, and surface trapping that mediate efficiency in catalytic and energy conversion materials. Toward this goal, we have developed a high harmonic generation (HHG) light source for femtosecond soft x-ray reflectivity. Using this light source we investigated the ultrafast carrier dynamics at the surface of single crystalline α-Fe2O3, polycrystalline α-Fe2O3, and the mixed metal oxide, CuFeO2. We have recently demonstrated that CuFeO2 in particular is a selective catalyst for photo-electrochemical CO2 reduction to acetate; however, the role of electronic structure and charge carrier dynamics in mediating catalytic selectivity has not been well understood. Soft x-ray reflectivity measurements probe the M2,3, edges of the 3d transition metals, which provide oxidation and spin state resolution with element specificity. In addition to chemical state specificity, these measurements are also surface sensitive, and by independently simulating the contributions of the real and imaginary components of the complex refractive index, we can differentiate between surface and sub-surface contributions to the excited state spectrum. Accordingly, this work demonstrates the ability to probe ultrafast carrier dynamics in catalytic materials with element and chemical state specificity and with surface sensitivity.

  20. Vibrational Surface Electron-Energy-Loss Spectroscopy Probes Confined Surface-Phonon Modes

    Directory of Open Access Journals (Sweden)

    Hugo Lourenço-Martins

    2017-12-01

    Full Text Available Recently, two reports [Krivanek et al. Nature (London 514, 209 (2014NATUAS0028-083610.1038/nature13870, Lagos et al. Nature (London 543, 529 (2017NATUAS0028-083610.1038/nature21699] have demonstrated the amazing possibility to probe vibrational excitations from nanoparticles with a spatial resolution much smaller than the corresponding free-space phonon wavelength using electron-energy-loss spectroscopy (EELS. While Lagos et al. evidenced a strong spatial and spectral modulation of the EELS signal over a nanoparticle, Krivanek et al. did not. Here, we show that discrepancies among different EELS experiments as well as their relation to optical near- and far-field optical experiments [Dai et al. Science 343, 1125 (2014SCIEAS0036-807510.1126/science.1246833] can be understood by introducing the concept of confined bright and dark surface phonon modes, whose density of states is probed by EELS. Such a concise formalism is the vibrational counterpart of the broadly used formalism for localized surface plasmons [Ouyang and Isaacson Philos. Mag. B 60, 481 (1989PMABDJ1364-281210.1080/13642818908205921, García de Abajo and Aizpurua Phys. Rev. B 56, 15873 (1997PRBMDO0163-182910.1103/PhysRevB.56.15873, García de Abajo and Kociak Phys. Rev. Lett. 100, 106804 (2008PRLTAO0031-900710.1103/PhysRevLett.100.106804, Boudarham and Kociak Phys. Rev. B 85, 245447 (2012PRBMDO1098-012110.1103/PhysRevB.85.245447]; it makes it straightforward to predict or interpret phenomena already known for localized surface plasmons such as environment-related energy shifts or the possibility of 3D mapping of the related surface charge densities [Collins et al. ACS Photonics 2, 1628 (2015APCHD52330-402210.1021/acsphotonics.5b00421].

  1. A micromachined surface stress sensor with electronic readout

    NARCIS (Netherlands)

    Carlen, Edwin; Weinberg, M.S.; Zapata, A.M.; Borenstein, J.T.

    2008-01-01

    A micromachined surface stress sensor has been fabricated and integrated off chip with a low-noise, differential capacitance, electronic readout circuit. The differential capacitance signal is modulated with a high frequency carrier signal, and the output signal is synchronously demodulated and

  2. Assessment of root surfaces of apicected teeth: A scanning electron ...

    African Journals Online (AJOL)

    Objectives: The aim of this study was to determine the apical surface characteristics and presence of dental cracks in single‑rooted premolars, resected 3.0 mm from the root apex, using the Er: YAG laser, tungsten carbide bur, and diamond‑coated tip, by scanning electron microscopy (SEM). Experimental design: Thirty ...

  3. Topological surface states of Bi{sub 2}Te{sub 2}Se are robust against surface chemical modification

    Energy Technology Data Exchange (ETDEWEB)

    Thomas, Conor R.; Sahasrabudhe, Girija; Kushwaha, Satya Kumar; Cava, Robert J.; Schwartz, Jeffrey [Department of Chemistry, Princeton University, Princeton, NJ (United States); Xiong, Jun [Department of Physics, Princeton University, Princeton, NJ (United States)

    2014-12-01

    The robustness of the Dirac-like electronic states on the surfaces of topological insulators (TIs) during materials process-ing is a prerequisite for their eventual device application. Here, the (001) cleavage surfaces of crystals of the topological insulator Bi{sub 2}Te{sub 2}Se (BTS) were subjected to several surface chemical modification procedures that are common for electronic materials. Through measurement of Shubnikov-de Hass (SdH) oscillations, which are the most sensitive measure of their quality, the surface states of the treated surfaces were compared to those of pristine BTS that had been exposed to ambient conditions. In each case - surface oxidation, deposition of thin layers of Ti or Zr oxides, or chemical modification of the surface oxides - the robustness of the topological surface electronic states was demonstrated by noting only very small changes in the frequency and amplitude of the SdH oscillations. (copyright 2014 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  4. Formation of Surface and Quantum-Well States in Ultra Thin Pt Films on the Au(111 Surface

    Directory of Open Access Journals (Sweden)

    Igor V. Silkin

    2017-12-01

    Full Text Available The electronic structure of the Pt/Au(111 heterostructures with a number of Pt monolayers n ranging from one to three is studied in the density-functional-theory framework. The calculations demonstrate that the deposition of the Pt atomic thin films on gold substrate results in strong modifications of the electronic structure at the surface. In particular, the Au(111 s-p-type Shockley surface state becomes completely unoccupied at deposition of any number of Pt monolayers. The Pt adlayer generates numerous quantum-well states in various energy gaps of Au(111 with strong spatial confinement at the surface. As a result, strong enhancement in the local density of state at the surface Pt atomic layer in comparison with clean Pt surface is obtained. The excess in the density of states has maximal magnitude in the case of one monolayer Pt adlayer and gradually reduces with increasing number of Pt atomic layers. The spin–orbit coupling produces strong modification of the energy dispersion of the electronic states generated by the Pt adlayer and gives rise to certain quantum states with a characteristic Dirac-cone shape.

  5. Surface modification of steels and magnesium alloy by high current pulsed electron beam

    Science.gov (United States)

    Hao, Shengzhi; Gao, Bo; Wu, Aimin; Zou, Jianxin; Qin, Ying; Dong, Chuang; An, Jian; Guan, Qingfeng

    2005-11-01

    High current pulsed electron beam (HCPEB) is now developing as a useful tool for surface modification of materials. When concentrated electron flux transferring its energy into a very thin surface layer within a short pulse time, superfast processes such as heating, melting, evaporation and consequent solidification, as well as dynamic stress induced may impart the surface layer with improved physico-chemical and mechanical properties. This paper presents our research work on surface modification of steels and magnesium alloy with HCPEB of working parameters as electron energy 27 keV, pulse duration ∼1 μs and energy density ∼2.2 J/cm2 per pulse. Investigations performed on carbon steel T8, mold steel D2 and magnesium alloy AZ91HP have shown that the most pronounced changes of phase-structure state and properties occurring in the near-surface layers, while the thickness of the modified layer with improved microhardness (several hundreds of micrometers) is significantly greater than that of the heat-affected zone. The formation mechanisms of surface cratering and non-stationary hardening effect in depth are discussed based on the elucidation of non-equilibrium temperature filed and different kinds of stresses formed during pulsed electron beam melting treatment. After the pulsed electron beam treatments, samples show significant improvements in measurements of wear and corrosion resistance.

  6. Surface modification of steels and magnesium alloy by high current pulsed electron beam

    International Nuclear Information System (INIS)

    Hao, Shengzhi; Gao, Bo; Wu, Aimin; Zou, Jianxin; Qin, Ying; Dong, Chuang; An, Jian; Guan, Qingfeng

    2005-01-01

    High current pulsed electron beam (HCPEB) is now developing as a useful tool for surface modification of materials. When concentrated electron flux transferring its energy into a very thin surface layer within a short pulse time, superfast processes such as heating, melting, evaporation and consequent solidification, as well as dynamic stress induced may impart the surface layer with improved physico-chemical and mechanical properties. This paper presents our research work on surface modification of steels and magnesium alloy with HCPEB of working parameters as electron energy 27 keV, pulse duration ∼1 μs and energy density ∼2.2 J/cm 2 per pulse. Investigations performed on carbon steel T8, mold steel D2 and magnesium alloy AZ91HP have shown that the most pronounced changes of phase-structure state and properties occurring in the near-surface layers, while the thickness of the modified layer with improved microhardness (several hundreds of micrometers) is significantly greater than that of the heat-affected zone. The formation mechanisms of surface cratering and non-stationary hardening effect in depth are discussed based on the elucidation of non-equilibrium temperature filed and different kinds of stresses formed during pulsed electron beam melting treatment. After the pulsed electron beam treatments, samples show significant improvements in measurements of wear and corrosion resistance

  7. Electronic states in systems of reduced dimensionality

    International Nuclear Information System (INIS)

    Ulloa, S.E.

    1992-01-01

    This report briefly discusses the following research: magnetically modulated systems, inelastic magnetotunneling, ballistic transport review, screening in reduced dimensions, raman and electron energy loss spectroscopy; and ballistic quantum interference effects. (LSP)

  8. Molecular surface mesh generation by filtering electron density map.

    Science.gov (United States)

    Giard, Joachim; Macq, Benoît

    2010-01-01

    Bioinformatics applied to macromolecules are now widely spread and in continuous expansion. In this context, representing external molecular surface such as the Van der Waals Surface or the Solvent Excluded Surface can be useful for several applications. We propose a fast and parameterizable algorithm giving good visual quality meshes representing molecular surfaces. It is obtained by isosurfacing a filtered electron density map. The density map is the result of the maximum of Gaussian functions placed around atom centers. This map is filtered by an ideal low-pass filter applied on the Fourier Transform of the density map. Applying the marching cubes algorithm on the inverse transform provides a mesh representation of the molecular surface.

  9. Molecular Surface Mesh Generation by Filtering Electron Density Map

    Directory of Open Access Journals (Sweden)

    Joachim Giard

    2010-01-01

    Full Text Available Bioinformatics applied to macromolecules are now widely spread and in continuous expansion. In this context, representing external molecular surface such as the Van der Waals Surface or the Solvent Excluded Surface can be useful for several applications. We propose a fast and parameterizable algorithm giving good visual quality meshes representing molecular surfaces. It is obtained by isosurfacing a filtered electron density map. The density map is the result of the maximum of Gaussian functions placed around atom centers. This map is filtered by an ideal low-pass filter applied on the Fourier Transform of the density map. Applying the marching cubes algorithm on the inverse transform provides a mesh representation of the molecular surface.

  10. Density functional calculation of electronic surface structure and Fe adsorption on ZnO (0001) and (000 anti 1)

    Energy Technology Data Exchange (ETDEWEB)

    Pal, Sougata; Jasper-Toennies, Torben; Hack, Michael; Pehlke, Eckhard [Institut fuer Theoretische Physik und Astrophysik, Universitaet Kiel (Germany)

    2011-07-01

    The structure and electronic properties of the ZnO(0001) and ZnO(000 anti 1) surfaces as studied by density functional calculations are presented. The stability of the surface has already been investigated by various groups. The electronic surface band structure, however, in particular the existence of surface states and the differences between experimental band dispersion for both terminations, still appears to pose open problems. To address these issues, we compare Kohn Sham band structures and electrostatic potentials close to the surface for the relaxed (1 x 1)-surface, (2 x 2) vacancy reconstructions, and surfaces with pits. In particular the effect of the bending of the electrostatic potential at the surface on the eigenstates is quantified. Comparing the adsorption energies of Fe atoms for various adsorption sites on ZnO(000 anti 1), the fcc hollow position turned out to be energetically favorable. The oxidation state of the Fe atom is derived from the projected density of states.

  11. An AES Study of the Room Temperature Surface Conditioning of Technological Metal Surfaces by Electron Irradiation

    OpenAIRE

    Scheuerlein, C; Hilleret, Noël; Taborelli, M; Brown, A; Baker, M A

    2002-01-01

    The modifications to technological copper and niobium surfaces induced by 2.5 keV electron irradiation have been investigated in the context of the conditioning process occurring in particle accelerator ultra high vacuum systems. Changes in the elemental surface composition have been found using Scanning Auger Microscopy (SAM) by monitoring the carbon, oxygen and metal Auger peak intensities as a function of electron irradiation in the dose range 10-6 to 10-2 C mm-2. The surface analysis resu...

  12. Appearance of the minority dz2 surface state and disappearance of the image-potential state: Criteria for clean Fe(001)

    Science.gov (United States)

    Eibl, Christian; Schmidt, Anke B.; Donath, Markus

    2012-10-01

    The unoccupied surface electronic structure of clean and oxidized Fe(001) was studied with spin-resolved inverse photoemission and target current spectroscopy. For the clean surface, we detected a dz2 surface state with minority spin character just above the Fermi level, while the image-potential surface state disappears. The opposite is observed for the ordered p(1×1)O/Fe(001) surface: the dz2-type surface state is quenched, while the image-potential state shows up as a pronounced feature. This behavior indicates enhanced surface reflectivity at the oxidized surface. The appearance and disappearance of specific unoccupied surface states prove to be decisive criteria for a clean Fe(001) surface. In addition, enhanced spin asymmetry in the unoccupied states is observed for the oxidized surface. Our results have implications for the use of clean and oxidized Fe(001) films as spin-polarization detectors.

  13. Production of the Ne Auger electrons by Ne/sup +/ bombardment of Mg and Al surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Ferrante, J; Pepper, S V [National Aeronautics and Space Administration, Cleveland, Ohio (USA). Lewis Research Center

    1976-07-01

    The authors have bombarded Mg and Al surfaces with Ne/sup +/ ions and in this letter present evidence for the production of an inner shell vacancy in the Ne by the asymmetric Ne-Mg and Ne-Al collision. In addition, autoionization states of neutral Ne have been observed. These states are to be distinguished from the more usual case in Auger electron spectroscopy of de-excitation of an ion with a core vacancy.

  14. Runaway electrons and rational q-surfaces in a tokamak

    International Nuclear Information System (INIS)

    Cheetham, A.D.; Hogg, G.R.; Kuwahara, H.; Morton, A.H.

    1983-01-01

    Results of measurements with LT-4 of runaway electron behaviour during the current rise stage of discharges when q = rBsub(T)/RBsub(p) (where r and R are minor and major radii, Bsub(T) and Bsub(p) are toroidal and poloidal magnetic fields) is changing continuously are reported. The results establish a role for outward moving rational q regions in removing runaway electrons from a tokamak plasma. The model indicates that as well as carrying a proportion of low energy runaways with them the rational q regions also scatter high energy electrons from the discharge. This leads to an upper limit for the energy of fully confined electrons. The size of the runaway population might be minimised by controlling the rate of movement of rational surfaces. This would be achieved by programming the rate of rise of the plasma current

  15. Lowering the density of electronic defects on organic-functionalized Si(100) surfaces

    International Nuclear Information System (INIS)

    Peng, Weina; DeBenedetti, William J. I.; Kim, Seonjae; Chabal, Yves J.; Hines, Melissa A.

    2014-01-01

    The electrical quality of functionalized, oxide-free silicon surfaces is critical for chemical sensing, photovoltaics, and molecular electronics applications. In contrast to Si/SiO 2 interfaces, the density of interface states (D it ) cannot be reduced by high temperature annealing because organic layers decompose above 300 °C. While a reasonable D it is achieved on functionalized atomically flat Si(111) surfaces, it has been challenging to develop successful chemical treatments for the technologically relevant Si(100) surfaces. We demonstrate here that recent advances in the chemical preparation of quasi-atomically-flat, H-terminated Si(100) surfaces lead to a marked suppression of electronic states of functionalized surfaces. Using a non-invasive conductance-voltage method to study functionalized Si(100) surfaces with varying roughness, a D it as low as 2.5 × 10 11  cm −2 eV −1 is obtained for the quasi-atomically-flat surfaces, in contrast to >7 × 10 11  cm −2 eV −1 on atomically rough Si(100) surfaces. The interfacial quality of the organic/quasi-atomically-flat Si(100) interface is very close to that obtained on organic/atomically flat Si(111) surfaces, opening the door to applications previously thought to be restricted to Si(111)

  16. Visualizing Surface Plasmons with Photons, Photoelectrons, and Electrons

    Energy Technology Data Exchange (ETDEWEB)

    El-Khoury, Patrick Z.; Abellan Baeza, Patricia; Gong, Yu; Hage, F. S.; Cottom, J.; Joly, Alan G.; Brydson, R.; Ramasse, Q. M.; Hess, Wayne P.

    2016-06-21

    Both photons and electrons may be used to excite surface plasmon polaritons, the collective charge density fluctuations at the surface of metal nanostructures. By virtue of their nanoscopic and dissipative nature, a detailed characterization of surface plasmon (SP) eigenmodes in real space-time ultimately requires joint sub-nanometer spatial and sub-femtosecond temporal resolution. The latter realization has driven significant developments in the past few years, aimed at interrogating both localized and propagating SP modes over the relevant length and time scales. In this mini-review, we briefly highlight different techniques we employ to visualize the enhanced electric fields associated with SPs. Specifically, we discuss recent hyperspectral optical microscopy, tip-enhanced Raman nano-spectroscopy, nonlinear photoemission electron microscopy, as well as correlated scanning transmission electron microscopy-electron energy loss spectroscopy measurements targeting prototypical plasmonic nanostructures and constructs. Through selected practical examples, we examine the information content in multidimensional images recorded by taking advantage of each of the aforementioned techniques. In effect, we illustrate how SPs can be visualized at the ultimate limits of space and time.

  17. Electron states in semiconductor quantum dots

    International Nuclear Information System (INIS)

    Dhayal, Suman S.; Ramaniah, Lavanya M.; Ruda, Harry E.; Nair, Selvakumar V.

    2014-01-01

    In this work, the electronic structures of quantum dots (QDs) of nine direct band gap semiconductor materials belonging to the group II-VI and III-V families are investigated, within the empirical tight-binding framework, in the effective bond orbital model. This methodology is shown to accurately describe these systems, yielding, at the same time, qualitative insights into their electronic properties. Various features of the bulk band structure such as band-gaps, band curvature, and band widths around symmetry points affect the quantum confinement of electrons and holes. These effects are identified and quantified. A comparison with experimental data yields good agreement with the calculations. These theoretical results would help quantify the optical response of QDs of these materials and provide useful input for applications

  18. Chemical changes induced on a TiO2 surface by electron bombardment

    International Nuclear Information System (INIS)

    Vergara, L.I.; Passeggi, M.C.G.; Ferron, J.

    2007-01-01

    We study the TiO 2 (Ti 4+ ) chemical reduction induced by electron bombardment using Auger electron spectroscopy and factor analysis. We show that the electron irradiation of a TiO 2 sample is characterized by the appearance of a lower Ti oxidation state, Ti 2 O 3 (Ti 3+ ), followed by a further deposition of carbon, which is present inevitably in the environment even under ultra-high vacuum conditions. The appearance of C over the surface is found to be a complex mechanism which affects the reduction process through passivation of the electron-induced oxygen desorption and formation of titanium carbide. For very high irradiation doses, we also found that the chemical changes on the surface are stopped due to the deposition of carbon in a graphitic form

  19. New electron-ion-plasma equipment for modification of materials and products surface

    International Nuclear Information System (INIS)

    Koval', N.N.

    2013-01-01

    the report the processes of electron-beam nanostructurization of material surfaces are considered. In IHCE SB RAS the equipment 'SOLO' of electron-beam treatment of product surface has been developed. By 'SOLO' the processes of electron-beam polishing of metals and alloys surface are realized. Furthermore the processes of superfast surface hardening of materials are developed by 'SOLO'. That leads to nanostructurization of surface layer. In process of electron-beam treatment the pulse electron beam with energy of (5÷50) J/cm 2 , getting on a treated surface, makes superfast heating (10 8 -10 9 K/s) (during pulse duration of ((50÷200) µs) to temperature of melting point of substrate material. Then superfast (10 6 -10 8 K/s) cooling occurs at the expense of heat removal in deeper cold layers of a substrate. As a result of superfast hardening in near-surface layer with thickness of several units to several tens micron the improved structure of treated material is formed. The surface is cleared; fusible impurity is evaporated; in steels hardening submicro- and nanocrystalline structure is formed; surface hardness increases. Besides, in vacuum in a liquid phase smoothing of surfaces relief (polishing) occurs by surface tension force. The essential changes of a structural-phase state of surface layer lead to significant improvement of physical, chemical, and strength properties of the material. That is impossible by traditional methods of surface treatment. In the report the examples of combined processes of surface layers nanostructurization, including perspective electron-beam mixing of coating/substrate systems are demonstrated. The presented equipment and realized processes are a basis of development of new electron-ion-plasma technologies of nanostructurization of material and product surfaces. These methods allow considerably improving physical and chemical, exploitation properties of details and instruments surface. That leads to

  20. Thermoelectric Transport by Surface States in Bi2Se3-Based Topological Insulator Thin Films

    International Nuclear Information System (INIS)

    Li Long-Long; Xu Wen

    2015-01-01

    We develop a tractable theoretical model to investigate the thermoelectric (TE) transport properties of surface states in topological insulator thin films (TITFs) of Bi 2 Se 3 at room temperature. The hybridization between top and bottom surface states in the TITF plays a significant role. With the increasing hybridization-induced surface gap, the electrical conductivity and electron thermal conductivity decrease while the Seebeck coefficient increases. This is due to the metal-semiconductor transition induced by the surface-state hybridization. Based on these TE transport coefficients, the TE figure-of-merit ZT is evaluated. It is shown that ZT can be greatly improved by the surface-state hybridization. Our theoretical results are pertinent to the exploration of the TE transport properties of surface states in TITFs and to the potential application of Bi 2 Se 3 -based TITFs as high-performance TE materials and devices. (paper)

  1. Low-energy electron scattering from molecules, biomolecules and surfaces

    CERN Document Server

    Carsky, Petr

    2011-01-01

    Since the turn of the 21st century, the field of electron molecule collisions has undergone a renaissance. The importance of such collisions in applications from radiation chemistry to astrochemistry has flowered, and their role in industrial processes such as plasma technology and lighting are vital to the advancement of next generation devices. Furthermore, the development of the scanning tunneling microscope highlights the role of such collisions in the condensed phase, in surface processing, and in the development of nanotechnology.Low-Energy Electron Scattering from Molecules, Biomolecule

  2. Tuning the electronic properties at the surface of BaBiO{sub 3} thin films

    Energy Technology Data Exchange (ETDEWEB)

    Ferreyra, C. [GIyA y INN, CNEA, Av.Gral Paz 1499, (1650), San Martín, Buenos Aires (Argentina); Departamento de Física, Facultad Ciencias Exactas y Naturales, Universidad de Buenos Aires (Argentina); Guller, F.; Llois, A. M.; Vildosola, V. [GIyA y INN, CNEA, Av.Gral Paz 1499, (1650), San Martín, Buenos Aires (Argentina); Consejo Nacional de Investigaciones Científicas y Técnicas (CONICET) (Argentina); Marchini, F.; Williams, F. J. [Consejo Nacional de Investigaciones Científicas y Técnicas (CONICET) (Argentina); Departamento de Química Inorgánica, Analítica y Química-Física, INQUIMAE-CONICET, Facultad Ciencias Exactas y Naturales, Universidad de Buenos Aires, Pabellón 2, Ciudad Universitaria, Buenos Aires (Argentina); Lüders, U. [CRISMAT, CNRS UMR 6508, ENSICAEN, 6 Boulevard Maréchal Juin, 14050 Caen Cedex 4 (France); Albornoz, C. [GIyA y INN, CNEA, Av.Gral Paz 1499, (1650), San Martín, Buenos Aires (Argentina); Leyva, A. G. [GIyA y INN, CNEA, Av.Gral Paz 1499, (1650), San Martín, Buenos Aires (Argentina); Escuela de Ciencia y Tecnología, UNSAM, Campus Miguelete, (1650), San Martín, Buenos Aires (Argentina); and others

    2016-06-15

    The presence of 2D electron gases at surfaces or interfaces in oxide thin films remains a hot topic in condensed matter physics. In particular, BaBiO{sub 3} appears as a very interesting system as it was theoretically proposed that its (001) surface should become metallic if a Bi-termination is achieved (Vildosola et al., PRL 110, 206805 (2013)). Here we report on the preparation by pulsed laser deposition and characterization of BaBiO{sub 3} thin films on silicon. We show that the texture of the films can be tuned by controlling the growth conditions, being possible to stabilize strongly (100)-textured films. We find significant differences on the spectroscopic and transport properties between (100)-textured and non-textured films. We rationalize these experimental results by performing first principles calculations, which indicate the existence of electron doping at the (100) surface. This stabilizes Bi ions in a 3+ state, shortens Bi-O bonds and reduces the electronic band gap, increasing the surface conductivity. Our results emphasize the importance of surface effects on the electronic properties of perovskites, and provide strategies to design novel oxide heterostructures with potential interface-related 2D electron gases.

  3. Band-structure-based collisional model for electronic excitations in ion-surface collisions

    International Nuclear Information System (INIS)

    Faraggi, M.N.; Gravielle, M.S.; Alducin, M.; Silkin, V.M.; Juaristi, J.I.

    2005-01-01

    Energy loss per unit path in grazing collisions with metal surfaces is studied by using the collisional and dielectric formalisms. Within both theories we make use of the band-structure-based (BSB) model to represent the surface interaction. The BSB approach is based on a model potential and provides a precise description of the one-electron states and the surface-induced potential. The method is applied to evaluate the energy lost by 100 keV protons impinging on aluminum surfaces at glancing angles. We found that when the realistic BSB description of the surface is used, the energy loss obtained from the collisional formalism agrees with the dielectric one, which includes not only binary but also plasmon excitations. The distance-dependent stopping power derived from the BSB model is in good agreement with available experimental data. We have also investigated the influence of the surface band structure in collisions with the Al(100) surface. Surface-state contributions to the energy loss and electron emission probability are analyzed

  4. Electronic structure at metal-smiconductor surfaces and interfaces: effects of disorder

    International Nuclear Information System (INIS)

    Rodrigues, D.E.

    1988-01-01

    The main concern of this work is the study of the electronic structure at metal and semiconductor surfaces or interfaces, with special emphasis in the effects of disorder and local microstructure upon them. Various factors which determine this structure are presented and those of central importance are identified. A model that allows the efficient and exact calculation of the local density of states at disordered interfaces is described. This model is based on a tight-binding hamiltonian that has enough flexibility so as to allow an adequate description of real solids. The disorder is taken into account by including stochastic perturbations in the diagonal elements of the hamiltonian in a site orbital basis. These perturbations are taken at each layer from a lorentzian probability distribution. An exact expression for the calculation of the local density of states is derived and applied to a model surface built up from a type orbitals arranged in a simple cubic lattice. The effects of disorder on the local densities of states and on the existence of surface Tamm states are studied. The properties of the electronic states with this kind of model of disorder are considered. The self-consistent calculation of the electronic structure of the Si(111) - (1x1) surface is presented. The effects of disorder on the electronic properties such as the work function or the position of surface states within the gap are evaluated. The surface of the metallic compound NiSi 2 is also treated. The first self-consistent calculation of the electronic structure of its (111) surface is presented. The electronic structure of the Si/NiSi 2 (111) interfaces is calculated for the two types of junctions that can be grown experimentally. The origin of the difference between the Schottky barrier heights at both interfaces is discussed. The results are compared with available experimental data. The implications of this calculation on existing theories about the microscopic mechanism that causes

  5. Exchange energy of inhomogenous electron gas near a metal surface

    International Nuclear Information System (INIS)

    Miglio, L.; Tosi, M.P.; March, N.H.

    1980-12-01

    Using the first-order density matrix of an infinite-barrier model of a metal surface, the exchange energy density can be evaluated exactly as a function of distance z from the barrier. This result is compared with the local approximation -3/4e 2 (3/π)sup(1/3) rhosup(4/3)(z) where rho is the electron density in the model. The local approximation is demonstrated to be quantitatively accurate at all z. The integrated surface exchange energy is given to within 3% by the local theory. (author)

  6. Soft electron processor for surface sterilization of food material

    International Nuclear Information System (INIS)

    Baba, Takashi; Kaneko, Hiromi; Taniguchi, Shuichi

    2004-01-01

    As frozen or chilled foods have become popular nowadays, it has become very important to provide raw materials with lower level microbial contamination to food processing companies. Consequently, the sterilization of food material is one of the major topics for food processing. Dried materials like grains, beans and spices, etc., are not typically deeply contaminated by microorganisms, which reside on the surfaces of materials, so it is very useful to take low energetic, lower than 300 keV, electrons with small penetration power (Soft-Electrons), as a sterilization method for such materials. Soft-Electrons is researched and named by Dr. Hayashi et al. This is a non-thermal method, so one can keep foods hygienic without serious deterioration. It is also a physical method, so is free from residues of chemicals in foods. Recently, Nissin-High Voltage Co., Ltd. have developed and manufactured equipment for commercial use of Soft-Electrons (Soft Electron Processor), which can process 500 kg/h of grains. This report introduces the Soft Electron Processor and shows the results of sterilization of wheat and brown rice by the equipment

  7. Charge-state distribution of MeV He ions scattered from the surface atoms

    International Nuclear Information System (INIS)

    Kimura, Kenji; Ohtsuka, Hisashi; Mannami, Michihiko

    1993-01-01

    The charge-state distribution of 500-keV He ions scattered from a SnTe (001) surface has been investigated using a new technique of high-resolution high-energy ion scattering spectroscopy. The observed charge-state distribution of ions scattered from the topmost atomic layer coincides with that of ions scattered from the subsurface region and does not depend on the incident charge state but depends on the exit angle. The observed exit-angle dependence is explained by a model which includes the charge-exchange process with the valence electrons in the tail of the electron distribution at the surface. (author)

  8. All electron ab initio investigations of the electronic states of the FeC molecule

    DEFF Research Database (Denmark)

    Shim, Irene; Gingerich, Karl A.

    1999-01-01

    The low lying electronic states of the molecule FeC have been investigated by performing all electron ab initio multi-configuration self-consistent-field (CASSCF) and multi reference configuration interaction (MRCI) calculations. The relativistic corrections for the one electron Darwin contact term...

  9. All Electron ab initio Investigations of the Electronic States of the MoN Molecule

    DEFF Research Database (Denmark)

    Shim, Irene; Gingerich, Karl A.

    1999-01-01

    The low lying electronic states of the molecule MoN have been investigated by performing all electron ab initio multi-configuration self-consistent-field (CASSCF) calculations. The relativistic corrections for the one electron Darwin contact term and the relativistic mass-velocity correction have...

  10. All-electron ab initio investigations of the electronic states of the NiC molecule

    DEFF Research Database (Denmark)

    Shim, Irene; Gingerich, Karl. A.

    1999-01-01

    The low-lying electronic states of NiC are investigated by all-electron ab initio multi-configuration self-consistent-field (CASSCF) calculations including relativistic corrections. The electronic structure of NiC is interpreted as perturbed antiferromagnetic couplings of the localized angular...

  11. Electronic structure of graphene on Ni surfaces with different orientation

    International Nuclear Information System (INIS)

    Pudikov, D.A.; Zhizhin, E.V.; Rybkin, A.G.; Rybkina, A.A.; Zhukov, Y.M.; Vilkov, O. Yu.; Shikin, A.M.

    2016-01-01

    An experimental study of the graphene, synthesized by propylene cracking on Ni surfaces with different orientation: (100) and (111), using angle-resolved photoemission, has been performed. It has been shown that graphene on Ni(111) had a perfect lateral structure due to consistency of their lattices, whereas graphene/Ni(100) consisted of a lot of domains. For both systems electronic structure was quite similar and demonstrated a strong bonding of graphene to the underlying Ni surface. After Au intercalation the electronic structure of graphene in both systems was shifted to the Fermi level and became linear in the vicinity of the K point of the Brillouin zone. - Highlights: • Graphene on Ni(111) is well-ordered, whereas on Ni(100) – multi-domain. • Graphene on Ni(111) and Ni(100) is strongly bonded with substrate. • Intercalation of Au atoms restores the linearity in dispersion and makes graphene quasi-free on both Ni(100) and Ni(111).

  12. Extremely confined gap surface-plasmon modes excited by electrons

    DEFF Research Database (Denmark)

    Raza, Søren; Stenger, Nicolas; Pors, Anders Lambertus

    2014-01-01

    High-spatial and energy resolution electron energy-loss spectroscopy (EELS) can be used for detailed characterization of localized and propagating surface-plasmon excitations in metal nanostructures, giving insight into fundamental physical phenomena and various plasmonic effects. Here, applying...... EELS to ultra-sharp convex grooves in gold, we directly probe extremely confined gap surface-plasmon (GSP) modes excited by swift electrons in nanometre-wide gaps. We reveal the resonance behaviour associated with the excitation of the antisymmetric GSP mode for extremely small gap widths, down to ~5...... mode exploited in plasmonic waveguides with extreme light confinement is a very important factor that should be taken into account in the design of nanoplasmonic circuits and devices....

  13. A theoretical model on surface electronic behavior: Strain effect

    International Nuclear Information System (INIS)

    Qin, W.G.; Shaw, D.

    2009-01-01

    Deformation from mechanical loading can affect surface electronic behavior. Surface deformation and electronic behavior can be quantitatively expressed using strain and work function, respectively, and their experimental relationship can be readily determined using the Kelvin probing technique. However, the theoretical correlation between work function and strain has been unclear. This study reports our theoretical exploration, for the first time, of the effect of strain on work function. We propose a simple electrostatic action model by considering the effect of a dislocation on work function of a one-dimensional lattice and further extend this model to the complex conditions for the effect of dislocation density. Based on this model, we established successfully a theoretical correlation between work function and strain.

  14. Electron density measurement for steady state plasmas

    International Nuclear Information System (INIS)

    Kawano, Yasunori; Chiba, Shinichi; Inoue, Akira

    2000-01-01

    Electron density of a large tokamak has been measured successfully by the tangential CO 2 laser polarimeter developed in JT-60U. The tangential Faraday rotation angles of two different wavelength of 9.27 and 10.6 μm provided the electron density independently. Two-color polarimeter concept for elimination of Faraday rotation at vacuum windows is verified for the first time. A system stability for long time operation up to ∼10 hours is confirmed. A fluctuation of a signal baseline is observed with a period of ∼3 hours and an amplitude of 0.4 - 0.7deg. In order to improve the polarimeter, an application of diamond window for reduction of the Faraday rotation at vacuum windows and another two-color polarimeter concept for elimination of mechanical rotation component are proposed. (author)

  15. Hot-electron-assisted femtochemistry at surfaces: A time-dependent density functional theory approach

    DEFF Research Database (Denmark)

    Gavnholt, Jeppe; Rubio, Angel; Olsen, Thomas

    2009-01-01

    Using time-evolution time-dependent density functional theory (TDDFT) within the adiabatic local-density approximation, we study the interactions between single electrons and molecular resonances at surfaces. Our system is a nitrogen molecule adsorbed on a ruthenium surface. The surface is modele...... resonance and the lowering of the resonance energy due to an image charge effect. Finally we apply the TDDFT procedure to only consider the decay of molecular excitations and find that it agrees quite well with the width of the projected density of Kohn-Sham states....

  16. Electron-Impact Excitation of Uracil Luminescence on a Ceramic Surface

    Science.gov (United States)

    Shafranyosh, I. I.; Mitropolskiy, I. E.; Kuzma, V. V.; Svyda, Yu. Yu.; Sukhoviya, M. I.

    2018-03-01

    Photoelectron spectroscopy was applied to pyrimidine nitrogenous bases, an important class of six-membered heterocyclic compounds incorporated into nucleic acids. The emission spectrum of uracil adsorbed on a ceramic surface that was obtained by bombardment with 600-eV electrons in a high vacuum was analyzed. Broad bands with maxima at 335, 435, and 495 nm were observed in the UV and visible regions. The strongest band (λ = 335 nm) was attributed to fluorescence and corresponded to a singlet-singlet transition from the first excited electronic state into the molecular ground state. Electronic transitions from a triplet T1 into the ground state formed a weaker phosphorescence band (λ = 435 nm). The nature of the band maximum at 495 nm is discussed. The obtained luminescence spectrum was compared with photoluminescence spectra in various phases.

  17. Direct conversion of graphite into diamond through electronic excited states

    CERN Document Server

    Nakayama, H

    2003-01-01

    An ab initio total energy calculation has been performed for electronic excited states in diamond and rhombohedral graphite by the full-potential linearized augmented plane wave method within the framework of the local density approximation (LDA). First, calculations for the core-excited state in diamond have been performed to show that the ab initio calculations based on the LDA describe the wavefunctions in the electronic excited states as well as in the ground state quite well. Fairly good coincidence with both experimental data and theoretical prediction has been obtained for the lattice relaxation of the core exciton state. The results of the core exciton state are compared with nitrogen-doped diamond. Next, the structural stability of rhombohedral graphite has been investigated to examine the possibility of the transition into the diamond structure through electronic excited states. While maintaining the rhombohedral symmetry, rhombohedral graphite can be spontaneously transformed to cubic diamond. Tota...

  18. Thermal equilibrium of pure electron plasmas across a central region of magnetic surfaces

    Science.gov (United States)

    Hahn, Michael; Pedersen, Thomas Sunn

    2009-06-01

    Measurements of the equilibria of plasmas created by emission from a biased filament located off the magnetic axis in the Columbia Non-neutral Torus (CNT) [T. S. Pedersen, J. P. Kremer, R. G. Lefrancois et al., Fusion Sci. Technol. 50, 372 (2006)] show that such plasmas have equilibrium properties consistent with the inner surfaces being in a state of cross-surface thermal equilibrium. Numerical solutions to the equilibrium equation were used to fit the experimental data and demonstrate consistency with cross-surface thermal equilibrium. Previous experiments in CNT showed that constant temperatures across magnetic surfaces are characteristic of CNT plasmas, implying thermal confinement times much less than particle confinement times. These results show that when emitting off axis there is a volume of inner surfaces where diffusion into that region is balanced by outward transport, producing a Boltzmann distribution of electrons. When combined with the low thermal energy confinement time this is a cross-surface thermal equilibrium.

  19. Thermal equilibrium of pure electron plasmas across a central region of magnetic surfaces

    International Nuclear Information System (INIS)

    Hahn, Michael; Pedersen, Thomas Sunn

    2009-01-01

    Measurements of the equilibria of plasmas created by emission from a biased filament located off the magnetic axis in the Columbia Non-neutral Torus (CNT) [T. S. Pedersen, J. P. Kremer, R. G. Lefrancois et al., Fusion Sci. Technol. 50, 372 (2006)] show that such plasmas have equilibrium properties consistent with the inner surfaces being in a state of cross-surface thermal equilibrium. Numerical solutions to the equilibrium equation were used to fit the experimental data and demonstrate consistency with cross-surface thermal equilibrium. Previous experiments in CNT showed that constant temperatures across magnetic surfaces are characteristic of CNT plasmas, implying thermal confinement times much less than particle confinement times. These results show that when emitting off axis there is a volume of inner surfaces where diffusion into that region is balanced by outward transport, producing a Boltzmann distribution of electrons. When combined with the low thermal energy confinement time this is a cross-surface thermal equilibrium.

  20. Electron emission during multicharged ion-surface interactions

    International Nuclear Information System (INIS)

    Zeijlmans van Emmichoven, P.A.; Havener, C.C.; Meyer, F.W.; Zehner, D.M.

    1990-01-01

    Recent measurements of electron spectra for slow multicharged N ion-surface collisions are presented. The emphasis is on potential emission, i.e. the electron emission related to the neutralization of the ions. When using N ions that carry a K shell vacancy into the collision, characteristic K Auger electron emission from the projectiles is observed, as well as, for specific surfaces, target atom Auger transitions (resulting from vacancy transfer). Measurements of the intensity of these Auger transitions as a function of the time the ions spend above the surface can serve as a useful probe of the timescales characterizing the relevant neutralization processes. This technique is elucidated with the help of some computer simulations. It is shown that neutralization timescales required in the atomic ladder picture, in which neutralization takes place by resonant capture followed by purely intra-atomic Auger transitions, are too long to explain our experimental results. The introduction of additional neutralization/de-excitation mechanisms in the simulations leads to much better agreement with the experiments

  1. Hot electron dynamics at semiconductor surfaces: Implications for quantum dot photovoltaics

    Science.gov (United States)

    Tisdale, William A., III

    Finding a viable supply of clean, renewable energy is one of the most daunting challenges facing the world today. Solar cells have had limited impact in meeting this challenge because of their high cost and low power conversion efficiencies. Semiconductor nanocrystals, or quantum dots, are promising materials for use in novel solar cells because they can be processed with potentially inexpensive solution-based techniques and because they are predicted to have novel optoelectronic properties that could enable the realization of ultra-efficient solar power converters. However, there is a lack of fundamental understanding regarding the behavior of highly-excited, or "hot," charge carriers near quantum-dot and semiconductor interfaces, which is of paramount importance to the rational design of high-efficiency devices. The elucidation of these ultrafast hot electron dynamics is the central aim of this Dissertation. I present a theoretical framework for treating the electronic interactions between quantum dots and bulk semiconductor surfaces and propose a novel experimental technique, time-resolved surface second harmonic generation (TR-SHG), for probing these interactions. I then describe a series of experimental investigations into hot electron dynamics in specific quantum-dot/semiconductor systems. A two-photon photoelectron spectroscopy (2PPE) study of the technologically-relevant ZnO(1010) surface reveals ultrafast (sub-30fs) cooling of hot electrons in the bulk conduction band, which is due to strong electron-phonon coupling in this highly polar material. The presence of a continuum of defect states near the conduction band edge results in Fermi-level pinning and upward (n-type) band-bending at the (1010) surface and provides an alternate route for electronic relaxation. In monolayer films of colloidal PbSe quantum dots, chemical treatment with either hydrazine or 1,2-ethanedithiol results in strong and tunable electronic coupling between neighboring quantum dots

  2. Creation of paired electron states in the gap of semiconducting carbon nanotubes by correlated hydrogen adsorption

    International Nuclear Information System (INIS)

    Buchs, Gilles; Krasheninnikov, Arkady V; Ruffieux, Pascal; Groening, Pierangelo; Foster, Adam S; Nieminen, Risto M; Groening, Oliver

    2007-01-01

    The specific, local modification of the electronic structure of carbon nanomaterials is as important for novel electronic device fabrication as the doping in the case of silicon-based electronics. Here, we report low temperature scanning tunneling microscopy and spectroscopy study of semiconducting carbon nanotubes subjected to hydrogen-plasma treatment. We show that plasma treatment mostly results in the creation of paired electronic states in the nanotube band gap. Combined with extensive first-principle simulations, our results provide direct evidence that these states originate from correlated chemisorption of hydrogen adatoms on the tube surface. The energy splitting of the paired states is governed by the adatom-adatom interaction, so that controlled hydrogenation can be used for engineering the local electronic structure of nanotubes and other sp 2 -bonded nanocarbon systems

  3. Surface states on a topologically nontrivial semimetal: The case of Sb(110)

    DEFF Research Database (Denmark)

    Bianchi, Marco; Guan, Dandan; Strózecka, Anna

    2012-01-01

    The electronic structure of Sb(110) is studied by angle-resolved photoemission spectroscopy and first-principles calculations, revealing several electronic surface states in the projected bulk band gaps around the Fermi energy. The dispersion of the states can be interpreted in terms of a strong...... spin-orbit splitting. The bulk band structure of Sb has the characteristics of a strong topological insulator with a Z2 invariant ν0 = 1. This puts constraints on the existence of metallic surface states and the expected topology of the surface Fermi contour. However, bulk Sb is a semimetal......, not an insulator, and these constraints are therefore partly relaxed. This relation of bulk topology and expected surface-state dispersion for semimetals is discussed....

  4. Electron backscatter diffraction characterization of laser-induced periodic surface structures on nickel surface

    Energy Technology Data Exchange (ETDEWEB)

    Sedao, Xxx, E-mail: sedao.xxx@gmail.com [Laboratoire Hubert Curien, Université Jean Monnet, 42000 St-Etienne (France); Maurice, Claire [Laboratoire Georges Friedel, Ecole Nationale Supérieure des Mines, 42023 St-Etienne (France); Garrelie, Florence; Colombier, Jean-Philippe; Reynaud, Stéphanie [Laboratoire Hubert Curien, Université Jean Monnet, 42000 St-Etienne (France); Quey, Romain; Blanc, Gilles [Laboratoire Georges Friedel, Ecole Nationale Supérieure des Mines, 42023 St-Etienne (France); Pigeon, Florent [Laboratoire Hubert Curien, Université Jean Monnet, 42000 St-Etienne (France)

    2014-05-01

    Graphical abstract: -- Highlight: •Lattice rotation and its distribution in laser-induced periodic surface structures (LIPSS) and the subsurface region on a nickel substrate are revealed using electron backscatter diffraction (EBSD). -- Abstract: We report on the structural investigation of laser-induced periodic surface structures (LIPSS) generated in polycrystalline nickel target after multi-shot irradiation by femtosecond laser pulses. Electron backscatter diffraction (EBSD) is used to reveal lattice rotation caused by dislocation storage during LIPSS formation. Localized crystallographic damages in the LIPSS are detected from both surface and cross-sectional EBSD studies. A surface region (up to 200 nm) with 1–3° grain disorientation is observed in localized areas from the cross-section of the LIPSS. The distribution of the local disorientation is inhomogeneous across the LIPSS and the subsurface region.

  5. Electron acceleration by surface plasma waves in double metal surface structure

    Science.gov (United States)

    Liu, C. S.; Kumar, Gagan; Singh, D. B.; Tripathi, V. K.

    2007-12-01

    Two parallel metal sheets, separated by a vacuum region, support a surface plasma wave whose amplitude is maximum on the two parallel interfaces and minimum in the middle. This mode can be excited by a laser using a glass prism. An electron beam launched into the middle region experiences a longitudinal ponderomotive force due to the surface plasma wave and gets accelerated to velocities of the order of phase velocity of the surface wave. The scheme is viable to achieve beams of tens of keV energy. In the case of a surface plasma wave excited on a single metal-vacuum interface, the field gradient normal to the interface pushes the electrons away from the high field region, limiting the acceleration process. The acceleration energy thus achieved is in agreement with the experimental observations.

  6. Topological surface states on Bi$_{1-x}$Sb$_x$

    DEFF Research Database (Denmark)

    Zhu, Xie-Gang; Hofmann, Philip

    2014-01-01

    Topological insulators support metallic surface states whose existence is protected by the bulk band structure. It has been predicted early that the topology of the surface state Fermi contour should depend on several factors, such as the surface orientation and termination and this raises the qu...

  7. Electron emission from MOS electron emitters with clean and cesium covered gold surface

    DEFF Research Database (Denmark)

    Nielsen, Gunver; Thomsen, Lasse Bjørchmar; Johansson, Martin

    2009-01-01

    MOS (metal-oxide-semiconductor) electron emitters consisting of a Si substrate, a SiO2 tunnel barrier and a Ti (1 nm)/Au(7 nm) top-electrode, with an active area of 1 cm(2) have been produced and studied with surface science techniques under UHV (ultra high vacuum) conditions and their emission...... characteristics have been investigated. It is known, that deposition of an alkali metal on the emitting surface lowers the work function and increases the emission efficiency. For increasing Cs coverages the surface has been characterized by X-ray Photoelectron Spectroscopy (XPS), Ion Scattering Spectroscopy (ISS...

  8. Electron beam induced Hg desorption and the electronic structure of the Hg depleted surface of Hg1/sub -//sub x/Cd/sub x/Te

    International Nuclear Information System (INIS)

    Shih, C.K.; Friedman, D.J.; Bertness, K.A.; Lindau, I.; Spicer, W.E.; Wilson, J.A.

    1986-01-01

    Auger electron spectroscopy (AES), x-ray photoemission spectroscopy (XPS), low energy electron diffraction (LEED), and angle-resolved ultraviolet photoemission spectroscopy (ARPES) were used to study the electron beam induced Hg desorption from a cleaved (110)Hg/sub 1-//sub x/Cd/sub x/Te surface and the electronic structure of the Hg depleted surface. Solid state recrystallized Hg/sub 1-//sub x/Cd/sub x/Te single crystals were used. It was found that the electron beam heating dominated the electron beam induced Hg desorption on Hg/sub 1-//sub x/Cd/sub x/Te. At the electron beam energy used, the electron beam heating extended several thousand angstroms deep. However, the Hg depletion saturated after a few monolayers were depleted of Hg atoms. At the initial stage of Hg loss (only 3%), the surface band bends upward (more p type). The ARPES spectrum showed the loss of some E vs k dispersion after 22% Hg atoms were removed from the surface region, and no dispersion was observed after 43% Hg atoms were removed. These results have important implications on the electronic structure of the surfaces and interfaces of which the stoichiometry is altered

  9. Overview of surface alloying by ion, electron, and laser beams

    International Nuclear Information System (INIS)

    Rehn, L.E.; Picraux, S.T.; Wiedersich, H.

    1986-01-01

    Surface composition and microstructure play critical roles in determining the usefulness of many technological materials. For example, the mechanical interactions of an alloy with its environment such as friction and wear, chemical effects such as oxidation and corrosion, and even its outward appearance are all controlled by the properties of a very thin layer of material at the surface. For this reason, the properties required at the surface of an alloy for a given application are often different from, and frequently even incompatible with, property requirements for the bulk material. This constraint has spawned a great variety of traditional surface alloying and coating techniques, ranging from the simple application of paints, to considerably more sophisticated electroplating, nitriding, and surface diffusion treatments. In favorable circumstances, surface alloying can be used to independently optimize the surface and bulk properties of a material for a given application. Unfortunately, equilibrium solubility limits and low solid-state diffusivities impose severe restrictions on conventional surface alloying methods, and problems of adhesion frequently plague coating techniques

  10. Depletion region surface effects in electron beam induced current measurements

    Energy Technology Data Exchange (ETDEWEB)

    Haney, Paul M.; Zhitenev, Nikolai B. [Center for Nanoscale Science and Technology, National Institute of Standards and Technology, Gaithersburg, Maryland 20899 (United States); Yoon, Heayoung P. [Department of Electrical and Computer Engineering, University of Utah, Salt Lake City, Utah 84112 (United States); Gaury, Benoit [Center for Nanoscale Science and Technology, National Institute of Standards and Technology, Gaithersburg, Maryland 20899 (United States); Maryland NanoCenter, University of Maryland, College Park, Maryland 20742 (United States)

    2016-09-07

    Electron beam induced current (EBIC) is a powerful characterization technique which offers the high spatial resolution needed to study polycrystalline solar cells. Current models of EBIC assume that excitations in the p-n junction depletion region result in perfect charge collection efficiency. However, we find that in CdTe and Si samples prepared by focused ion beam (FIB) milling, there is a reduced and nonuniform EBIC lineshape for excitations in the depletion region. Motivated by this, we present a model of the EBIC response for excitations in the depletion region which includes the effects of surface recombination from both charge-neutral and charged surfaces. For neutral surfaces, we present a simple analytical formula which describes the numerical data well, while the charged surface response depends qualitatively on the location of the surface Fermi level relative to the bulk Fermi level. We find that the experimental data on FIB-prepared Si solar cells are most consistent with a charged surface and discuss the implications for EBIC experiments on polycrystalline materials.

  11. Overlap of electron core states for very high compressions

    International Nuclear Information System (INIS)

    Straub, G.

    1985-01-01

    At normal density and for modest compressions, the electronic structure of a metal can be accurately described by treating the conduction electrons and their interactions with the usual methods of band theory. The core electrons remain essentially the same as for an isolated free atom and do not participate in the bonding forces responsible for creating a condensed phase. As the density increases, the core electrons begin to ''see'' one another as the overlap of the tails of wave functions can no longer be neglected. The electronic structure of the core electrons is responsible for an effective repulsive interaction that eventually becomes free-electron-like at very high compressions. The electronic structure of the interacting core electrons may be treated in a simple manner using the Atomic Surface Method (ASM). The ASM is a first-principles treatment of the electronic structure involving a rigorous integration of the Schroedinger equation within the atomic-sphere approximation. Solid phase wave functions are constructed from isolated atom wave functions and the band width W/sub l/ and the center of gravity of the band C/sub l/ are obtained from simple formulas. The ASM can also utilize analytic forms of the atomic wave functions and thus provide direct functional dependence of various aspects of the electronic structure. Of particular use in understanding the behavior of the core electrons, the ASM provides the analytic density dependence of the band widths and positions. 8 refs., 2 figs., 1 tab

  12. Two dimensional electron gas confined over a spherical surface: Magnetic moment

    Energy Technology Data Exchange (ETDEWEB)

    Hernando, A; Crespo, P [Instituto de Magnetismo Aplicado, UCM-CSIC-ADIF, Las Rozas. P. O. Box 155, Madrid 28230 (Spain) and Dpto. Fisica de Materiales, Universidad Complutense (Spain); Garcia, M A, E-mail: antonio.hernando@adif.es [Instituto de Ceramica y Vidrio, CSIC c/Kelsen, 5 Madrid 28049 (Spain)

    2011-04-01

    Magnetism of capped nanoparticles, NPs, of non-magnetic substances as Au and ZnO is briefly reviewed. The source of the magnetization is discussed on the light of recent X-ray magnetic circular dichroism experiments. As magnetic dichroism analysis has pointed out impurity atoms bonded to the surface act as donor or acceptor of electrons that occupy the surface states. It is proposed that mesoscopic collective orbital magnetic moments induced at the surface states can account for the experimental magnetism characteristic of these nanoparticles. The total magnetic moment of the surface originated at the unfilled Fermi level can reach values as large as 10{sup 2} or 10{sup 3} Bohr magnetons.

  13. Equilibrium state of colliding electron beams

    Directory of Open Access Journals (Sweden)

    R. L. Warnock

    2003-10-01

    Full Text Available We study a nonlinear integral equation that is a necessary condition on the equilibrium phase-space distribution function of stored, colliding electron beams. It is analogous to the Haïssinski equation, being derived from Vlasov-Fokker-Planck theory, but is quite different in form. The equation is analyzed for the case of the Chao-Ruth model of the beam-beam interaction in 1 degree of freedom, a so-called strong-strong model with nonlinear beam-beam force. We prove the existence of a unique solution, for sufficiently small beam current, by an application of the implicit function theorem. We have not yet proved that this solution is positive, as would be required to establish existence of an equilibrium. There is, however, numerical evidence of a positive solution. We expect that our analysis can be extended to more realistic models.

  14. Correlation properties of surface and percolation transfer of electrons

    International Nuclear Information System (INIS)

    Bakunin, O.G.

    2002-01-01

    In this work was received equation, connecting correlatively properties of surface with electrons distribution function. Usually for equilibrium is necessary a large number of collisions. Collisions are 'destroying' correlations. In case rare collisions large importance have correlations and 'memory' effects. Non-Markov's character of emitting particles by surface lead to strongly nonequilibrium condition of 'gas'. Here kinetic equation of diffusive form does not apply. Classical kinetic equation are described only conditions near to equilibrium. This work offers to use ideas anomal diffusion in phase-space. The correlation properties of surface describe by correlations of velocities of emitting electrons: B(t). We offer to use functional equation for probability collision instead of kinetic equation: ∫ 0 ν 0 W noncoll F(ν) dv = 1 - B(t). This functional allow to consider 'memory' effects. It is important for consideration of electrons and clusters near surfaces. Distribution function become direct connected with correlations. In classical Kubo-Mory theory of transfer is necessary to get nondivergences integral: D ∝ ∫ 0 ∞ B(t). In considering case we can use even 'power function'. It was used 'slow' correlation function as Kohlraush in calculations. The information about kinetics and correlations properties are containing in one functional equation. It was received solution of this equation in form Levy function: F(ν) ∝ 1/ν α exp(-1/ν). The solution of this form can not be get with help asymptotic methods of kinetic theory. Asymptotics of solution have scale-invariant character F(V) ∝ 1/V α . This indicate on fractal properties phase-space. (author)

  15. Effect of suprathermal electrons on the impurity ionization state

    International Nuclear Information System (INIS)

    Ochando, M A; Medina, F; Zurro, B; McCarthy, K J; Pedrosa, M A; Baciero, A; Rapisarda, D; Carmona, J M; Jimenez, D

    2006-01-01

    The effect of electron cyclotron resonance heating induced suprathermal electron tails on the ionization of iron impurities in magnetically confined plasmas is investigated. The behaviour of plasma emissivity immediately after injection provides evidence of a spatially localized 'shift' towards higher charge states of the impurity. Bearing in mind that the non-inductive plasma heating methods generate long lasting non-Maxwellian distribution functions, possible implications on the deduced impurity transport coefficients, when fast electrons are present, are discussed

  16. Removal of dangling bonds and surface states on silicon (001) with a monolayer of selenium

    International Nuclear Information System (INIS)

    Tao Meng; Udeshi, Darshak; Basit, Nasir; Maldonado, Eduardo; Kirk, Wiley P.

    2003-01-01

    Dangling bonds and surface states are inherent to semiconductor surfaces. By passivating dangling bonds on the silicon (001) surface with a monolayer of selenium, surface states are removed from the band gap. Magnesium contacts on selenium-passivated silicon (001) behave ohmically, as expected from the work function of magnesium and the electron affinity of silicon. After rapid thermal annealing and hot-plate annealing, magnesium contacts on selenium-passivated silicon (001) show better thermal stability than on hydrogen-passivated silicon (001), which is attributed to the suppression of silicide formation by selenium passivation

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

    International Nuclear Information System (INIS)

    Kowalczyk, S.P.

    1976-01-01

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

  18. Attosecond electron pulse trains and quantum state reconstruction in ultrafast transmission electron microscopy

    Science.gov (United States)

    Priebe, Katharina E.; Rathje, Christopher; Yalunin, Sergey V.; Hohage, Thorsten; Feist, Armin; Schäfer, Sascha; Ropers, Claus

    2017-12-01

    Ultrafast electron and X-ray imaging and spectroscopy are the basis for an ongoing revolution in the understanding of dynamical atomic-scale processes in matter. The underlying technology relies heavily on laser science for the generation and characterization of ever shorter pulses. Recent findings suggest that ultrafast electron microscopy with attosecond-structured wavefunctions may be feasible. However, such future technologies call for means to both prepare and fully analyse the corresponding free-electron quantum states. Here, we introduce a framework for the preparation, coherent manipulation and characterization of free-electron quantum states, experimentally demonstrating attosecond electron pulse trains. Phase-locked optical fields coherently control the electron wavefunction along the beam direction. We establish a new variant of quantum state tomography—`SQUIRRELS'—for free-electron ensembles. The ability to tailor and quantitatively map electron quantum states will promote the nanoscale study of electron-matter entanglement and new forms of ultrafast electron microscopy down to the attosecond regime.

  19. Molecular electronics with single molecules in solid-state devices

    DEFF Research Database (Denmark)

    Moth-Poulsen, Kasper; Bjørnholm, Thomas

    2009-01-01

    The ultimate aim of molecular electronics is to understand and master single-molecule devices. Based on the latest results on electron transport in single molecules in solid-state devices, we focus here on new insights into the influence of metal electrodes on the energy spectrum of the molecule...

  20. D-state Rydberg electrons interacting with ultracold atoms

    Energy Technology Data Exchange (ETDEWEB)

    Krupp, Alexander Thorsten

    2014-10-02

    This thesis was established in the field of ultracold atoms where the interaction of highly excited D-state electrons with rubidium atoms was examined. This work is divided into two main parts: In the first part we study D-state Rydberg molecules resulting from the binding of a D-state Rydberg electron to a ground state rubidium atom. We show that we can address specific rovibrational molecular states by changing our laser detuning and thus create perfectly aligned axial or antialigned toroidal molecules, in good agreement with our theoretical calculations. Furthermore the influence of the electric field on the Rydberg molecules was investigated, creating novel states which show a different angular dependence and alignment. In the second part of this thesis we excite single D-state Rydberg electrons in a Bose-Einstein condensate. We study the lifetime of these Rydberg electrons, the change of the shape of our condensate and the atom losses in the condensate due to this process. Moreover, we observe quadrupolar shape oscillations of the whole condensate created by the consecutive excitation of Rydberg atoms and compare all results to previous S-state measurements. In the outlook we propose a wide range of further experiments including the proposal of imaging a single electron wavefunction by the imprint of its orbit into the Bose-Einstein condensate.

  1. Hydrogen collisions with transition metal surfaces: Universal electronically nonadiabatic adsorption

    Science.gov (United States)

    Dorenkamp, Yvonne; Jiang, Hongyan; Köckert, Hansjochen; Hertl, Nils; Kammler, Marvin; Janke, Svenja M.; Kandratsenka, Alexander; Wodtke, Alec M.; Bünermann, Oliver

    2018-01-01

    Inelastic scattering of H and D atoms from the (111) surfaces of six fcc transition metals (Au, Pt, Ag, Pd, Cu, and Ni) was investigated, and in each case, excitation of electron-hole pairs dominates the inelasticity. The results are very similar for all six metals. Differences in the average kinetic energy losses between metals can mainly be attributed to different efficiencies in the coupling to phonons due to the different masses of the metal atoms. The experimental observations can be reproduced by molecular dynamics simulations based on full-dimensional potential energy surfaces and including electronic excitations by using electronic friction in the local density friction approximation. The determining factors for the energy loss are the electron density at the surface, which is similar for all six metals, and the mass ratio between the impinging atoms and the surface atoms. Details of the electronic structure of the metal do not play a significant role. The experimentally validated simulations are used to explore sticking over a wide range of incidence conditions. We find that the sticking probability increases for H and D collisions near normal incidence—consistent with a previously reported penetration-resurfacing mechanism. The sticking probability for H or D on any of these metals may be represented as a simple function of the incidence energy, Ein, metal atom mass, M, and incidence angle, 𝜗i n. S =(S0+a ṡEi n+b ṡM ) *(1 -h (𝜗i n-c ) (1 -cos(𝜗 i n-c ) d ṡh (Ei n-e ) (Ei n-e ) ) ) , where h is the Heaviside step function and for H, S0 = 1.081, a = -0.125 eV-1, b =-8.40 ṡ1 0-4 u-1, c = 28.88°, d = 1.166 eV-1, and e = 0.442 eV; whereas for D, S0 = 1.120, a = -0.124 eV-1, b =-1.20 ṡ1 0-3 u-1, c = 28.62°, d = 1.196 eV-1, and e = 0.474 eV.

  2. Electronic states in crystals of finite size quantum confinement of bloch waves

    CERN Document Server

    Ren, Shang Yuan

    2017-01-01

    This book presents an analytical theory of the electronic states in ideal low dimensional systems and finite crystals based on a differential equation theory approach. It provides precise and fundamental understandings on the electronic states in ideal low-dimensional systems and finite crystals, and offers new insights into some of the basic problems in low-dimensional systems, such as the surface states and quantum confinement effects, etc., some of which are quite different from what is traditionally believed in the solid state physics community. Many previous predictions have been confirmed in subsequent investigations by other authors on various relevant problems. In this new edition, the theory is further extended to one-dimensional photonic crystals and phononic crystals, and a general theoretical formalism for investigating the existence and properties of surface states/modes in semi-infinite one-dimensional crystals is developed. In addition, there are various revisions and improvements, including us...

  3. Tuning electronic and magnetic properties of GaN nanosheets by surface modifications and nanosheet thickness.

    Science.gov (United States)

    Xiao, Meixia; Yao, Tingzhen; Ao, Zhimin; Wei, Peng; Wang, Danghui; Song, Haiyang

    2015-04-14

    Density-functional theory calculations are performed to investigate the effects of surface modifications and nanosheet thickness on the electronic and magnetic properties of gallium nitride (GaN) nanosheets (NSs). Unlike the bare GaN NSs terminating with polar surfaces, the systems with hydrogenated Ga (H-GaN), fluorinated Ga (F-GaN), and chlorinated Ga (Cl-GaN) preserve their initial wurtzite structures and exhibit ferromagnetic states. The abovementioned three different decorations on Ga atoms are energetically more favorable for thicker GaN NSs. Moreover, as the thickness increases, H-GaN and F-GaN NSs undergo semiconductor to metal and half-metal to metal transition, respectively, while Cl-GaN NSs remain completely metallic. The predicted diverse and tunable electronic and magnetic properties highlight the potential of GaN NSs for novel electronic and spintronic nanodevices.

  4. Surface states in thin versus thick organic quantum wells

    International Nuclear Information System (INIS)

    Nguyen Ba An; Hanamura, E.

    1995-08-01

    Surface states are studied in dependence on thickness or organic quantum wells within the nearest layer approximation. It is shown that there is a material-dependent critical thickness. Structures, that have thickness thinner or thicker than the critical one, exhibit qualitatively different characteristics of surface states. Criteria for existence and sign rules for location of energy levels of surface states are established which are general and contain the results of the previous works as particular cases. (author). 18 refs, 3 figs

  5. Specific surface area evaluation method by using scanning electron microscopy

    International Nuclear Information System (INIS)

    Petrescu, Camelia; Petrescu, Cristian; Axinte, Adrian

    2000-01-01

    Ceramics are among the most interesting materials for a large category of applications, including both industry and health. Among the characteristic of the ceramic materials, the specific surface area is often difficult to evaluate.The paper presents a method of evaluation for the specific surface area of two ceramic powders by means of scanning electron microscopy measurements and an original method of computing the specific surface area.Cumulative curves are used to calculate the specific surface area under assumption that the values of particles diameters follow a normal logarithmic distribution. For two powder types, X7R and NPO the results are the following: - for the density ρ (g/cm 2 ), 5.5 and 6.0, respectively; - for the average diameter D bar (μm), 0.51 and 0.53, respectively; - for σ, 1.465 and 1.385, respectively; - for specific surface area (m 2 /g), 1.248 and 1.330, respectively. The obtained results are in good agreement with the values measured by conventional methods. (authors)

  6. Low-energy electron diffraction experiment, theory and surface structure determination

    CERN Document Server

    Hove, Michel A; Chan, Chi-Ming

    1986-01-01

    Surface crystallography plays the same fundamental role in surface science which bulk crystallography has played so successfully in solid-state physics and chemistry. The atomic-scale structure is one of the most important aspects in the understanding of the behavior of surfaces in such widely diverse fields as heterogeneous catalysis, microelectronics, adhesion, lubrication, cor­ rosion, coatings, and solid-solid and solid-liquid interfaces. Low-Energy Electron Diffraction or LEED has become the prime tech­ nique used to determine atomic locations at surfaces. On one hand, LEED has yielded the most numerous and complete structural results to date (almost 200 structures), while on the other, LEED has been regarded as the "technique to beat" by a variety of other surface crystallographic methods, such as photoemission, SEXAFS, ion scattering and atomic diffraction. Although these other approaches have had impressive successes, LEED has remained the most productive technique and has shown the most versatility...

  7. Electronic dissipation processes during chemical reactions on surfaces

    CERN Document Server

    Stella, Kevin

    2012-01-01

    Hauptbeschreibung Every day in our life is larded with a huge number of chemical reactions on surfaces. Some reactions occur immediately, for others an activation energy has to be supplied. Thus it happens that though a reaction should thermodynamically run off, it is kinetically hindered. Meaning the partners react only to the thermodynamically more stable product state within a mentionable time if the activation energy of the reaction is supplied. With the help of catalysts the activation energy of a reaction can be lowered. Such catalytic processes on surfaces are widely used in industry. A

  8. Stereoscopic and photometric surface reconstruction in scanning electron microscopy

    International Nuclear Information System (INIS)

    Scherer, S.

    2000-01-01

    The scanning electron microscope (SEM) is one of the most important devices to examine microscopic structures as it offers images of a high contrast range with a large depth of focus. Nevertheless, three-dimensional measurements, as desired in fracture mechanics, have previously not been accomplished. This work presents a system for automatic, robust and dense surface reconstruction in scanning electron microscopy combining new approaches in shape from stereo and shape from photometric stereo. The basic theoretical assumption for a known adaptive window algorithm is shown not to hold in scanning electron microscopy. A constraint derived from this observation yields a new, simplified, hence faster calculation of the adaptive window. The correlation measure itself is obtained by a new ordinal measure coefficient. Shape from photometric stereo in the SEM is formulated by relating the image formation process with conventional photography. An iterative photometric ratio reconstruction is invented based on photometric ratios of backscatter electron images. The performance of the proposed system is evaluated using ground truth data obtained by three alternative shape recovery devices. Most experiments showed relative height accuracy within the tolerances of the alternative devices. (author)

  9. Minimal model for spoof acoustoelastic surface states

    Directory of Open Access Journals (Sweden)

    J. Christensen

    2014-12-01

    Full Text Available Similar to textured perfect electric conductors for electromagnetic waves sustaining artificial or spoof surface plasmons we present an equivalent phenomena for the case of sound. Aided by a minimal model that is able to capture the complex wave interaction of elastic cavity modes and airborne sound radiation in perfect rigid panels, we construct designer acoustoelastic surface waves that are entirely controlled by the geometrical environment. Comparisons to results obtained by full-wave simulations confirm the feasibility of the model and we demonstrate illustrative examples such as resonant transmissions and waveguiding to show a few examples of many where spoof elastic surface waves are useful.

  10. Charge transfer dynamics from adsorbates to surfaces with single active electron and configuration interaction based approaches

    Energy Technology Data Exchange (ETDEWEB)

    Ramakrishnan, Raghunathan, E-mail: r.ramakrishnan@unibas.ch [Institute of Physical Chemistry, National Center for Computational Design and Discovery of Novel Materials (MARVEL), Department of Chemistry, University of Basel, Klingelbergstrasse 80, CH-4056 Basel (Switzerland); Nest, Mathias [Theoretische Chemie, Technische Universität München, Lichtenbergstr. 4, 85747 Garching (Germany)

    2015-01-13

    Highlights: • We model electron dynamics across cyano alkanethiolates attached to gold cluster. • We present electron transfer time scales from TD-DFT and TD-CI based simulations. • Both DFT and CI methods qualitatively predict the trend in time scales. • TD-CI predicts the experimental relative time scale very accurately. - Abstract: We employ wavepacket simulations based on many-body time-dependent configuration interaction (TD-CI), and single active electron theories, to predict the ultrafast molecule/metal electron transfer time scales, in cyano alkanethiolates bonded to model gold clusters. The initial states represent two excited states where a valence electron is promoted to one of the two virtual π{sup ∗} molecular orbitals localized on the cyanide fragment. The ratio of the two time scales indicate the efficiency of one charge transfer channel over the other. In both our one-and many-electron simulations, this ratio agree qualitatively with each other as well as with the previously reported experimental time scales (Blobner et al., 2012), measured for a macroscopic metal surface. We study the effect of cluster size and the description of electron correlation on the charge transfer process.

  11. Electronic structure of surface-supported bis(phthalocyaninato) terbium(III) single molecular magnets.

    Science.gov (United States)

    Vitali, Lucia; Fabris, Stefano; Conte, Adriano Mosca; Brink, Susan; Ruben, Mario; Baroni, Stefano; Kern, Klaus

    2008-10-01

    The electronic structure of isolated bis(phthalocyaninato) terbium(III) molecules, a novel single-molecular-magnet (SMM), supported on the Cu(111) surface has been characterized by density functional theory and scanning tunneling spectroscopy. These studies reveal that the interaction with the metal surface preserves both the molecular structure and the large spin magnetic moment of the metal center. The 4f electron states are not perturbed by the adsorption while a strong molecular/metal interaction can induce the suppression of the minor spin contribution delocalized over the molecular ligands. The calculations show that the inherent spin magnetic moment of the molecule is only weakly affected by the interaction with the surface and suggest that the SMM character might be preserved.

  12. Surface thermodynamic stability, electronic and magnetic properties in various (001) surfaces of Zr2CoSn Heusler alloy

    Science.gov (United States)

    Yang, Yan; Feng, Zhong-Ying; Zhang, Jian-Min

    2018-05-01

    The spin-polarized first-principles are used to study the surface thermodynamic stability, electronic and magnetic properties in various (001) surfaces of Zr2CoSn Heusler alloy, and the bulk Zr2CoSn Heusler alloy are also discussed to make comparison. The conduction band minimum (CBM) of half-metallic (HM) bulk Zr2CoSn alloy is contributed by ZrA, ZrB and Co atoms, while the valence band maximum (VBM) is contributed by ZrB and Co atoms. The SnSn termination is the most stable surface with the highest spin polarizations P = 77.1% among the CoCo, ZrCo, ZrZr, ZrSn and SnSn terminations of the Zr2CoSn (001) surface. In the SnSn termination of the Zr2CoSn (001) surface, the atomic partial density of states (APDOS) of atoms in the surface, subsurface and third layers are much influenced by the surface effect and the total magnetic moment (TMM) is mainly contributed by the atomic magnetic moments of atoms in fourth to ninth layers.

  13. Electron Density in Atmospheric Pressure Microwave Surface Wave Discharges

    International Nuclear Information System (INIS)

    Jasinski, M.; Zakrzewski, Z.; Mizeraczyk, J.

    2008-01-01

    In this paper, we present results of the spectroscopic measurements of the electron density in a microwave surface wave sustained discharges in Ar and Ne at atmospheric pressure. The discharge in the form of a plasma column was generated inside a quartz tube cooled with a dielectric liquid. The microwave power delivered to the discharge via rectangular waveguide was applied in the range of 200-1500 W. In all investigations presented in this paper, the gas flow rate was relatively low (0.5 l/min), so the plasma column was generated in the form of a single filament, and the lengths of the upstream and downstream plasma columns were almost the same. The electron density in the plasma columns was determined using the method based on the Stark broadening of H β spectral line, including plasma region inside the waveguide which was not investigated earlier

  14. Inelastic electron holography: First results with surface plasmons

    Energy Technology Data Exchange (ETDEWEB)

    Falk, Roeder; Hannes, Lichte [Triebenberg Labor, Institute for Structure Physics, TU Dresden, 01062 Dresden (Germany)

    2011-07-01

    Inelastic interaction and wave optics seem to be incompatible in that inelastic processes destroy coherence, which is the fundamental requirement for holography. In special experiments it is shown that energy transfer larger than some undoubtedly destroys coherence of the inelastic electron with the elastic remainder. Consequently, the usual inelastic processes, such as phonon-, plasmon- or inner shell-excitations with energy transfer of several out to several, certainly produce incoherence with the elastic ones. However, it turned out that within the inelastic wave, *newborn* by the inelastic process, there is a sufficiently wide area of coherence for generating *inelastic holograms*. This is exploited to create holograms with electrons scattered at surface-plasmons, which opens up quantum mechanical investigation of these inelastic processes.

  15. Adsorbates in a Box: Titration of Substrate Electronic States

    Science.gov (United States)

    Cheng, Zhihai; Wyrick, Jonathan; Luo, Miaomiao; Sun, Dezheng; Kim, Daeho; Zhu, Yeming; Lu, Wenhao; Kim, Kwangmoo; Einstein, T. L.; Bartels, Ludwig

    2010-08-01

    Nanoscale confinement of adsorbed CO molecules in an anthraquinone network on Cu(111) with a pore size of ≈4nm arranges the CO molecules in a shell structure that coincides with the distribution of substrate confined electronic states. Molecules occupy the states approximately in the sequence of rising electron energy. Despite the sixfold symmetry of the pore boundary itself, the adsorbate distribution adopts the threefold symmetry of the network-substrate system, highlighting the importance of the substrate even for such quasi-free-electron systems.

  16. Molecular electronics with single molecules in solid-state devices.

    Science.gov (United States)

    Moth-Poulsen, Kasper; Bjørnholm, Thomas

    2009-09-01

    The ultimate aim of molecular electronics is to understand and master single-molecule devices. Based on the latest results on electron transport in single molecules in solid-state devices, we focus here on new insights into the influence of metal electrodes on the energy spectrum of the molecule, and on how the electron transport properties of the molecule depend on the strength of the electronic coupling between it and the electrodes. A variety of phenomena are observed depending on whether this coupling is weak, intermediate or strong.

  17. Towards hot electron mediated charge exchange in hyperthermal energy ion-surface interactions

    DEFF Research Database (Denmark)

    Ray, M. P.; Lake, R. E.; Thomsen, Lasse Bjørchmar

    2010-01-01

    shows that the primary energy loss mechanism is the atomic displacement of Au atoms in the thin film of the metal–oxide–semiconductor device. We propose that neutral particle detection of the scattered flux from a biased device could be a route to hot electron mediated charge exchange.......We have made Na + and He + ions incident on the surface of solid state tunnel junctions and measured the energy loss due to atomic displacement and electronic excitations. Each tunnel junction consists of an ultrathin film metal–oxide–semiconductor device which can be biased to create a band of hot...

  18. Origin of Power Laws for Reactions at Metal Surfaces Mediated by Hot Electrons

    DEFF Research Database (Denmark)

    Olsen, Thomas; Schiøtz, Jakob

    2009-01-01

    A wide range of experiments have established that certain chemical reactions at metal surfaces can be driven by multiple hot-electron-mediated excitations of adsorbates. A high transient density of hot electrons is obtained by means of femtosecond laser pulses and a characteristic feature of such...... density functional theory and the delta self-consistent field method. With a simplifying assumption, the power law becomes exact and we obtain a simple physical interpretation of the exponent n, which represents the number of adsorbate vibrational states participating in the reaction....

  19. Communication: Electronic flux induced by crossing the transition state

    Science.gov (United States)

    Jia, Dongming; Manz, Jörn; Yang, Yonggang

    2018-01-01

    We present a new effect of chemical reactions, e.g., isomerizations, that occurs when the reactants pass along the transition state, on the way to products. It is based on the well-known fact that at the transition state, the electronic structure of one isomer changes to the other. We discover that this switch of electronic structure causes a strong electronic flux that is well distinguishable from the usual flux of electrons that travel with the nuclei. As a simple but clear example, the effect is demonstrated here for bond length isomerization of Na2 (21Σu+), with adiabatic crossing the barrier between the inner and outer wells of the double minimum potential that support different "Rydberg" and "ionic" type electronic structures, respectively.

  20. Anomalous magnetotransport of a surface electron layer above liquid helium

    International Nuclear Information System (INIS)

    Grigor'ev, V.N.; Kovdrya, Yu.Z.; Nikolaenko, V.A.; Kirichek, O.I.; Shcherbachenko, R.I.

    1991-01-01

    The magnetoconductivity σ xx of a surface electron layer above liquid helium has been measured at temperatures between 0.5-1.6 K, for concentrations up to about 4x10 8 cm -2 , in magnetic fields up to 25 kOe. As was observed, σ xx first decreases with lowering temperature, then has a minimum and at T xy , the earlier ascertained anomalous behaviour of the magnetoresistance ρ xx taken into consideration. The calculated dependence of ρ xx on T is in satisfactory agreement with the anomalous dependence ρ xx (T) found earlier by experiment

  1. Theory of life time measurements with the scanning electron microscope: steady state

    NARCIS (Netherlands)

    Berz, F.; Kuiken, H.K.

    1976-01-01

    A theoretical steady state analysis is given of the scanning electron microscope method of measuring bulk life time in diodes, where the plane of the junction is perpendicular to the surface. The current in the junction is obtained as a function of the beam power, the beam penetration into the

  2. Energy of ground state of laminar electron-hole liquid

    International Nuclear Information System (INIS)

    Andryushin, E.A.

    1976-01-01

    The problem of a possible existence of metal electron-hole liquid in semiconductors is considered. The calculation has been carried out for the following model: two parallel planes are separated with the distance on one of the planes electrons moving, on the other holes doing. Transitions between the planes are forbidden. The density of particles for both planes is the same. The energy of the ground state and correlation functions for such electron-and hole system are calculated. It is shown that the state of a metal liquid is more advantageous against the exciton gas. For the mass ratio of electrons and holes, msub(e)/msub(h) → 0 a smooth rearrangement of the system into a state with ordered heavy particles is observed

  3. Electronically excited negative ion resonant states in chloroethylenes

    Energy Technology Data Exchange (ETDEWEB)

    Khvostenko, O.G., E-mail: khv@mail.ru; Lukin, V.G.; Tuimedov, G.M.; Khatymova, L.Z.; Kinzyabulatov, R.R.; Tseplin, E.E.

    2015-02-15

    Highlights: • Several novel dissociative negative ion channels were revealed in chloroethylenes. • The electronically excited resonant states were recorded in all chloroethylenes under study. • The states were assigned to the inter-shell types, but not to the core-excited Feshbach one. - Abstract: The negative ion mass spectra of the resonant electron capture by molecules of 1,1-dichloroethylene, 1,2-dichloroethylene-cis, 1,2-dichloroethylene-trans, trichloroethylene and tetrachloroethylene have been recorded in the 0–12 eV range of the captured electron energy using static magnetic sector mass spectrometer modified for operation in the resonant electron capture regime. As a result, several novel low-intensive dissociation channels were revealed in the compounds under study. Additionally, the negative ion resonant states were recorded at approximately 3–12 eV, mostly for the first time. These resonant states were assigned to the electronically excited resonances of the inter-shell type by comparing their energies with those of the parent neutral molecules triplet and singlet electronically excited states known from the energy-loss spectra obtained by previous studies.

  4. Improvement of carbon fiber surface properties using electron beam irradiation

    International Nuclear Information System (INIS)

    Pino, E.S.; Machado, L.D.B.; Giovedi, C.

    2007-01-01

    Carbon fiber-reinforced advance composites have been used for structural applications, mainly on account of their mechanical properties. The main factor for a good mechanical performance of carbon fiber-reinforced composite is the interfacial interaction between its components, which are carbon fiber and polymeric matrix. The aim of this study is to improve the surface properties of the carbon fiber using ionizing radiation from an electron beam to obtain better adhesion properties in the resultant composite. EB radiation was applied on the carbon fiber itself before preparing test specimens for the mechanical tests. Experimental results showed that EB irradiation improved the tensile strength of carbon fiber samples. The maximum value in tensile strength was reached using doses of about 250 kGy. After breakage, the morphology aspect of the tensile specimens prepared with irradiated and non-irradiated car- bon fibers were evaluated. SEM micrographs showed modifications on the carbon fiber surface. (authors)

  5. Control of single-electron charging of metallic nanoparticles onto amorphous silicon surface.

    Science.gov (United States)

    Weis, Martin; Gmucová, Katarína; Nádazdy, Vojtech; Capek, Ignác; Satka, Alexander; Kopáni, Martin; Cirák, Július; Majková, Eva

    2008-11-01

    Sequential single-electron charging of iron oxide nanoparticles encapsulated in oleic acid/oleyl amine envelope and deposited by the Langmuir-Blodgett technique onto Pt electrode covered with undoped hydrogenated amorphous silicon film is reported. Single-electron charging (so-called quantized double-layer charging) of nanoparticles is detected by cyclic voltammetry as current peaks and the charging effect can be switched on/off by the electric field in the surface region induced by the excess of negative/positive charged defect states in the amorphous silicon layer. The particular charge states in amorphous silicon are created by the simultaneous application of a suitable bias voltage and illumination before the measurement. The influence of charged states on the electric field in the surface region is evaluated by the finite element method. The single-electron charging is analyzed by the standard quantized double layer model as well as two weak-link junctions model. Both approaches are in accordance with experiment and confirm single-electron charging by tunnelling process at room temperature. This experiment illustrates the possibility of the creation of a voltage-controlled capacitor for nanotechnology.

  6. Visualizing One-Dimensional Electronic States and their Scattering in Semi-conducting Nanowires

    Science.gov (United States)

    Beidenkopf, Haim; Reiner, Jonathan; Norris, Andrew; Nayak, Abhay Kumar; Avraham, Nurit; Shtrikman, Hadas

    One-dimensional electronic systems constitute a fascinating playground for the emergence of exotic electronic effects and phases, within and beyond the Tomonaga-Luttinger liquid paradigm. More recently topological superconductivity and Majorana modes were added to that long list of phenomena. We report scanning tunneling microscopy and spectroscopy measurements conducted on pristine, epitaxialy grown InAs nanowires. We resolve the 1D electronic band structure manifested both via Van-Hove singularities in the local density-of-states, as well as by the quasi-particle interference patterns, induced by scattering from surface impurities. By studying the scattering of the one-dimensional electronic states off various scatterers, including crystallographic defects and the nanowire end, we identify new one-dimensional relaxation regimes and yet unexplored effects of interactions. Some of these may bear implications on the topological superconducting state and Majorana modes therein. The authors acknowledge support from the Israeli Science Foundation (ISF).

  7. Electron momentum spectroscopy of aniline taking account of nuclear dynamics in the initial electronic ground state

    International Nuclear Information System (INIS)

    Farasat, M; Golzan, M M; Shojaei, S H R; Morini, F; Deleuze, M S

    2016-01-01

    The electronic structure, electron binding energy spectrum and (e, 2e) momentum distributions of aniline have been theoretically predicted at an electron impact energy of 1.500 keV on the basis of Born–Oppenheimer molecular dynamical simulations, in order to account for thermally induced nuclear motions in the initial electronic ground state. Most computed momentum profiles are rather insensitive to thermally induced alterations of the molecular structure, with the exception of the profiles corresponding to two ionization bands at electron binding energies comprised between ∼10.0 and ∼12.0 eV (band C) and between ∼16.5 and ∼20.0 eV (band G). These profiles are found to be strongly influenced by nuclear dynamics in the electronic ground state, especially in the low momentum region. The obtained results show that thermal averaging smears out most generally the spectral fingerprints that are induced by nitrogen inversion. (paper)

  8. Electromagnetic surface waves at the interface of a relativistic electron beam with vacuum

    International Nuclear Information System (INIS)

    Shoucri, M.M.; Gagne, R.R.J.

    1977-01-01

    The dispersion relation for electromagnetic surface waves propagating at the interface between a relativistic electron beam and vacuum is derived. The excitation of surface modes in a plasma at rest by a relativistic electron beam is discussed

  9. Hydration of excess electrons trapped in charge pockets on molecular surfaces

    Science.gov (United States)

    Jalbout, Abraham F.; Del Castillo, R.; Adamowicz, Ludwik

    2007-01-01

    In this work we strive to design a novel electron trap located on a molecular surface. The process of electron trapping involves hydration of the trapped electron. Previous calculations on surface electron trapping revealed that clusters of OH groups can form stable hydrogen-bonded networks on one side of a hydrocarbon surface (i.e. cyclohexane sheets), while the hydrogen atoms on the opposite side of the surface form pockets of positive charge that can attract extra negative charge. The excess electron density on such surfaces can be further stabilized by interactions with water molecules. Our calculations show that these anionic systems are stable with respect to vertical electron detachment (VDE).

  10. Structural and electronic properties of low-index stoichiometric BiOI surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Dai, Wen-Wu; Zhao, Zong-Yan, E-mail: zzy@kmust.edu.cn

    2017-06-01

    As promising photocatalyst driven by visible-light, BiOI has attracted more and more attention in the past years. However, the surface structure and properties of BiOI that is the most important place for the photocatalytic have not been investigated in details. To this end, density functional theory was performed to calculate the structural and electronic properties of four low-index stoichiometric surfaces of BiOI. It is found that the relaxation of the low-index BiOI surfaces are relatively small, especially the (001) surface. Thus, the surface energies of BiOI are very relatively small. Moreover, there are a few surface states below the bottom of conduction band in the first layer except the (001) surface, which maybe capture the photo-excited carriers. In all of the most stable terminated planes, all the dangling bonds are cleaved from the broken Bi-O bonds. In the case of (001) surface, the dangling bond density of Bi atoms for the (001) surface is zero per square nano. Therefore, the (001) surface is thermodynamically lowest-energy surface of BiOI, and it is the predominant surface (51.4%). As a final remark, the dangling bonds density of bismuth atoms determines not only the surface energy, but also the surface relaxation. Finally, the equilibrium morphology of BiOI was also proposed and provided, which is determined through the Wulff construction. These results will help us to better understand the underlying photocatalytic mechanism that is related to BiOI surfaces, and provide theoretical support for some experimental studies about BiOI-based photocatalyst in future. - Highlights: • Four low-index BiOI surfaces have been calculated by DFT method. • The relaxations of the low-index BiOI surfaces are relatively small. • There are a few surface states below the bottom of conduction band in the first layer. • The dangling bonds density of bismuth atoms determines not only the surface energy, but also the surface relaxation. • The thermodynamic

  11. Electronic structure, Fermi surface and optical properties of metallic compound Be8(B48)B2

    International Nuclear Information System (INIS)

    Reshak, A.H.; Azam, Sikander; Alahmed, Z.A.; Chyský, Jan

    2014-01-01

    The band structure, density of states, electronic charge density, Fermi surface and optical properties for B 8 (Be 48 )B 2 compound has been investigated in the support of density functional theory (DFT). The atomic positions of B 8 (Be 48 )B 2 compound were optimized by minimization of the forces acting on the atoms using the full potential linear augmented plane wave (FPLAPW) method. We have employed the local density approximation (LDA), generalized gradient approximation (GGA) and Engal-Vosko GGA (EVGGA) to indulgence the exchange correlation potential by solving Kohn–Sham equations. The result shows that the compound is metallic with sturdy hybridization near the Fermi energy level (E F ). The density of states at Fermi energy, N(E F ), is determined by the overlaping between B-p, B-s and Be-s states. This overlaping is strong enough indicating metallic origin with different values of N(E F ). These values are 16.4, 16.27 and 14.89 states/eV, and the corresponding bare linear low-temperature electronic specific heat coefficient (γ) is found to be 2.84, 2.82 and 2.58 mJ/mol K 2 for EVGGA, GGA and LDA respectively. There exists a strong hybridization between B-s and B-p states, also between B-s and Be-p states around the Fermi level. The Fermi surface is composed of three sheets. These sheets consist of set of holes and electrons. The bonding features of the compounds are analyzed using the electronic charge density in the (101 and −101) crystallographic planes and also the analyzing of charge density shows covalent bonding between B and B. The linear optical properties are also deliberated and discussed in particulars. - Highlights: • The compound is metallic. • The density of states at the Fermi energy is calculated. • The bare linear low-temperature electronic specific heat coefficient is obtained. • Fermi surface is composed of three sheets. • The bonding features are analyzed using the electronic charge density

  12. Oxidation characteristics of the electron beam surface-treated Alloy 617 in high temperature helium environments

    International Nuclear Information System (INIS)

    Lee, Ho Jung; Sah, Injin; Kim, Donghoon; Kim, Hyunmyung; Jang, Changheui

    2015-01-01

    The oxidation characteristics of the electron beam surface-treated Alloy 617, which has an Al-rich surface layer, were evaluated in high temperature helium environments. Isothermal oxidation tests were performed in helium (99.999% purity) and VHTR-helium (helium of prototypical VHTR chemistry containing impurities like CO, CO 2 , CH 4 , and H 2 ) environments at 900 °C for up to 1000 h. The surface-treated Alloy 617 showed an initial transient oxidation stage followed by the steady-state oxidation in all test environments. In addition, the steady-state oxidation kinetics of the surface-treated Alloy 617 was 2-order of magnitude lower than that of the as-received Alloy 617 in both helium environments as well as in air. The improvement in oxidation resistance was primarily due to the formation of the protective Al 2 O 3 layer on the surface. The weight gain was larger in the order of air, helium, and VHTR-helium, while the parabolic rate constants (k p ) at steady-state were similar for all test environments. In both helium environments, the oxide structure consisted of the outer transition Al 2 O 3 with a small amount of Cr 2 O 3 and inner columnar structured Al 2 O 3 without an internal oxide. In the VHTR-helium environment, where the impurities were added to helium, the initial transient oxidation increased but the steady state kinetics was not affected

  13. Analysis of surface states in ZnO nanowire field effect transistors

    International Nuclear Information System (INIS)

    Shao, Ye; Yoon, Jongwon; Kim, Hyeongnam; Lee, Takhee; Lu, Wu

    2014-01-01

    Highlights: • The electron transport in ZnO nanowire FETs is space charged limited below a trap temperature. • Metallic contacts to ZnO nanowires exhibit non-linear behavior with a Schottky barrier height of ∼0.35 eV. • The surface state density is in the range of 1.04 × 10 10 –1.24 × 10 10 /cm 2 . • The trap activation energy is ∼0.26 eV. - Abstract: Nanowires (NWs) have attracted considerable interests for scaled electronic and optoelectronic device applications. However, NW based semiconductor devices normally suffer from surface states due to the existence of dangling bonds or surface reconstruction. Because of their large surface-to-volume ratio, surface states in NWs can easily affect the metallic contacts to NWs and electron transport in NW. Here, we present ZnO NW surface analysis by performing current–voltage characterization on ZnO NW Schottky barrier field effect transistors with different metal contacts (Ti, Al, Au) at both room temperature and cryogenic temperature. Our results show that three metal contacts are all Schottky contacts to ZnO NWs due to surface states. Our further study reveals: (a) the surface states related Schottky barrier height (SBH) can be extracted from a back to back Schottky diodes model and the SBH values are in the range of 0.34–0.37 eV for three metal contacts; (b) the trap activation energy determined from the Arrhenius plots of different Schottky metal contacts is in the range of 0.23–0.29 eV, which is oxygen vacancies related; and (c) based on the space-charge-limited model, the surface state density of ZnO NW is in the range of 1.04 × 10 10 –1.24 × 10 10 /cm 2

  14. Recent advances in ion and electron spectroscopy of polymer surfaces

    Science.gov (United States)

    Gardella, Joseph A.

    1988-01-01

    The structure of microdomains and bonding at multicomponent polymer material interfaces has been studied using a variety of surface sensitive spectroscopic techniques. In our laboratory, low energy ion scattering spectroscopy (ISS) and static secondary ion mass spectrometry (SIMS) serve to complement results from angular dependent X-ray photoelectron spectroscopy (XPS or ESCA), Fourier transform infrared (FTIR) with attenuated total reflectance (ATR) sampling and SEM techniques to provide a quantitative picture of the relationships between structure, bonding, morphology and microdomain formation in near surface regions of polymeric systems. The added surface sensitivity of ISS can yield quantitative information at a sampling depth of 3-5 Å, which, with ESCA and FTIR analysis yields a "non-destructive" depth profile of domain formation in copolymer and blend systems. These studies will be illustrated with results from siloxane and siloxane/polycarbonate copolymer systems, where a complete picture of surface domain formation and morphology as a function of composition and polymer crystallinity has been developed. ISS can also yield information regarding the orientation of surface functional groups which ESCA and FTIR do not have either sensitivity and/or sufficient detection limits to analyze. These studies will be illustrated by the analysis of plasma hydrolysis/oxidation of stereoregular poly(methyl-methacrylate). The effects of functional group orientation on reactivity will be explored using results from ISS, ESCA and FTIR for stereoregular (isotatic, syndiotactic) and random (atactic) PMMA. Electron energy loss spectroscopy at high resolution (HREELS) has recently been extended to the examination of polymer and organic surfaces. Vibrational information from this experiment can yield very precise results about surface functional groups (1-20 Å) but at much lower resolution than is typical from IR and Raman techniques. However, the promise of evaluating surface

  15. Graphene surface plasmon polaritons with opposite in-plane electron oscillations along its two surfaces

    International Nuclear Information System (INIS)

    Liang, Huawei; Ruan, Shuangchen; Zhang, Min; Su, Hong; Li, Irene Ling

    2015-01-01

    We predict the existence of a surface plasmon polariton (SPP) mode that can be guided by a graphene monolayer, regardless of the sign of the imaginary part of its conductivity. In this mode, in-plane electron oscillations along two surfaces of graphene are of opposite directions, which is very different from conventional SPPs on graphene. Significantly, coating graphene with dielectric films yields a way to guide the SPPs with both sub-wavelength mode widths and ultra-long propagation distances. In particular, the mode characteristics are very sensitive to the chemical potential of graphene, so the graphene-based waveguide can find applications in many optoelectronic devices

  16. Graphene surface plasmon polaritons with opposite in-plane electron oscillations along its two surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Liang, Huawei; Ruan, Shuangchen, E-mail: scruan@szu.edu.cn; Zhang, Min; Su, Hong; Li, Irene Ling [Shenzhen Key Laboratory of Laser Engineering, College of Optoelectronic Engineering, Shenzhen University, Shenzhen 518060 (China); Key Laboratory of Optoelectronic Devices and Systems of Ministry of Education and Guangdong Province, Shenzhen University, Shenzhen 518060 (China)

    2015-08-31

    We predict the existence of a surface plasmon polariton (SPP) mode that can be guided by a graphene monolayer, regardless of the sign of the imaginary part of its conductivity. In this mode, in-plane electron oscillations along two surfaces of graphene are of opposite directions, which is very different from conventional SPPs on graphene. Significantly, coating graphene with dielectric films yields a way to guide the SPPs with both sub-wavelength mode widths and ultra-long propagation distances. In particular, the mode characteristics are very sensitive to the chemical potential of graphene, so the graphene-based waveguide can find applications in many optoelectronic devices.

  17. Dynamic Corneal Surface Mapping with Electronic Speckle Pattern Interferometry

    Science.gov (United States)

    Iqbal, S.; Gualini, M. M. S.

    2013-06-01

    In view of the fast advancement in ophthalmic technology and corneal surgery, there is a strong need for the comprehensive mapping and characterization techniques for corneal surface. Optical methods with precision non-contact approaches have been found to be very useful for such bio measurements. Along with the normal mapping approaches, elasticity of corneal surface has an important role in its characterization and needs to be appropriately measured or estimated for broader diagnostics and better prospective surgical results, as it has important role in the post-op corneal surface reconstruction process. Use of normal corneal topographic devices is insufficient for any intricate analysis since these devices operate at relatively moderate resolution. In the given experiment, Pulsed Electronic Speckle Pattern Interferometry has been utilized along with an excitation mechanism to measure the dynamic response of the sample cornea. A Pulsed ESPI device has been chosen for the study because of its micron-level resolution and other advantages in real-time deformation analysis. A bovine cornea has been used as a sample in the subject experiment. The dynamic response has been taken on a chart recorder and it is observed that it does show a marked deformation at a specific excitation frequency, which may be taken as a characteristic elasticity parameter for the surface of that corneal sample. It was seen that outside resonance conditions the bovine cornea was not that much deformed. Through this study, the resonance frequency and the corresponding corneal deformations are mapped and plotted in real time. In these experiments, data was acquired and processed by FRAMES plus computer analysis system. With some analysis of the results, this technique can help us to refine a more detailed corneal surface mathematical model and some preliminary work was done on this. Such modelling enhancements may be useful for finer ablative surgery planning. After further experimentation

  18. Tunneling spectroscopy on semiconductors with a low surface state density

    OpenAIRE

    Sommerhalter, Christof; Matthes, Thomas W.; Boneberg, Johannes; Leiderer, Paul; Lux-Steiner, Martha Christina

    1997-01-01

    A detailed study of tunneling spectroscopy concerning semiconductors with a low surface state density is presented. For this purpose, I V curves under dark conditions and under illumination were measured on the (0001) van der Waals surface of a p-type WS2 single crystal, which is known to be free of intrinsic surface states. The measurements are interpreted by an analytical one-dimensional metal-insulator-semiconductor model, which shows that the presence of the finite tunneling current has ...

  19. Quantum State-Resolved Collision Dynamics of Nitric Oxide at Ionic Liquid and Molten Metal Surfaces

    Science.gov (United States)

    Zutz, Amelia Marie

    Detailed molecular scale interactions at the gas-liquid interface are explored with quantum state-to-state resolved scattering of a jet-cooled beam of NO(2pi1/2; N = 0) from ionic liquid and molten metal surfaces. The scattered distributions are probed via laser-induced fluorescence methods, which yield rotational and spin-orbit state populations that elucidate the dynamics of energy transfer at the gas-liquid interface. These collision dynamics are explored as a function of incident collision energy, surface temperature, scattering angle, and liquid identity, all of which are found to substantially affect the degree of rotational, electronic and vibrational excitation of NO via collisions at the liquid surface. Rotational distributions observed reveal two distinct scattering pathways, (i) molecules that trap, thermalize and eventually desorb from the surface (trapping-desorption, TD), and (ii) those that undergo prompt recoil (impulsive scattering, IS) prior to complete equilibration with the liquid surface. Thermally desorbing NO molecules are found to have rotational temperatures close to, but slightly cooler than the surface temperature, indicative of rotational dependent sticking probabilities on liquid surfaces. Nitric oxide is a radical with multiple low-lying electronic states that serves as an ideal candidate for exploring nonadiabatic state-changing collision dynamics at the gas-liquid interface, which induce significant excitation from ground (2pi1/2) to excited (2pi 3/2) spin-orbit states. Molecular beam scattering of supersonically cooled NO from hot molten metals (Ga and Au, Ts = 300 - 1400 K) is also explored, which provide preliminary evidence for vibrational excitation of NO mediated by thermally populated electron-hole pairs in the hot, conducting liquid metals. The results highlight the presence of electronically nonadiabatic effects and build toward a more complete characterization of energy transfer dynamics at gas-liquid interfaces.

  20. Surface electronic structure and molecular orientation of poly(9-vinylcarbazole) thin film: ARUPS and NEXAFS

    CERN Document Server

    Okudaira, K K; Hasegawa, S; Ishii, H; Azuma, Y; Imamura, M; Shimada, H; Seki, K; Ueno, N

    2001-01-01

    The molecular orientation at the surfaces of poly(9-vinylcarbazole) (PvCz) thin films was studied by angle-resolved ultraviolet photoelectron spectroscopy and near-edge X-ray absorption fine structure (NEXAFS) spectroscopy. The observed take-off angle (theta) dependence of photoelectron intensities from top pi band peaks clearly at larger theta than the calculated one for the three-dimensional isotropic random orientation model. The results indicate that there are more pendant groups with large tilt angles than the three-dimensional isotropic random orientation model, which is in good agreement with the result obtained from NEXAFS spectroscopy. The surface electronic states of PvCz may be rather dominated by sigma(C-H) states at the pendant carbazole group than pi states

  1. Chemistry of SOFC Cathode Surfaces: Fundamental Investigation and Tailoring of Electronic Behavior

    Energy Technology Data Exchange (ETDEWEB)

    Yildiz, Bilge; Heski, Clemens

    2013-08-31

    origins of this phenomenon is therefore needed for designing cathode materials with optimal surface chemistry. We quantitatively assessed the elastic and electrostatic interactions of the dopant with the surrounding lattice as the key driving forces for segregation on model perovskite compounds, LnMnO3 (host cation Ln=La, Sm). Our approach combines surface chemical analysis with X-ray photoelectron and Auger electron spectroscopy on model dense thin films, and computational analysis with density functional theory (DFT) calculations and analytical models. Elastic energy differences were systematically induced in the system by varying the radius of the selected dopants (Ca, Sr, Ba) with respect to the host cations (La, Sm) while retaining the same charge state. Electrostatic energy differences were introduced by varying the distribution of charged oxygen and cation vacancies in our models. Varying the oxygen chemical potential in our experiments induced changes in both the elastic energy and electrostatic interactions. Our results quantitatively demonstrate that the mechanism of dopant segregation on perovskite oxides includes both the elastic and electrostatic energy contributions. A smaller size mismatch between the host and dopant cations and a chemically expanded lattice were found to reduce the segregation level of the dopant and to enable more stable cathode surfaces. Ca-doped LaMnO3 was found to have the most stable surface composition with the least cation segregation among the compositions surveyed. The diffusion kinetics of the larger dopants, Ba and Sr, was found to be slower, and can kinetically trap the segregation at reduced temperatures despite the larger elastic energy driving force. Lastly, scanning probe image-contrast showed that the surface chemical heterogeneities made of dopant oxides upon segregation were electronically insulating. The consistency between the results obtained from experiments, DFT calculations and analytical theory in this work

  2. On the effect of image states on resonant neutralization of hydrogen anions near metal surfaces

    International Nuclear Information System (INIS)

    Chakraborty, Himadri S.; Niederhausen, Thomas; Thumm, Uwe

    2005-01-01

    We directly assess the role of image state electronic structures on the ion-survival by comparing the resonant charge transfer dynamics of hydrogen anions near Pd(1 1 1), Pd(1 0 0), and Ag(1 1 1) surfaces. Our simulations show that image states that are degenerate with the metal conduction band favor the recapture of electrons by outgoing ions. In sharp contrast, localized image states that occur inside the band gap hinder the recapture process and thus enhance the ion-neutralization probability

  3. Photoionization of furan from the ground and excited electronic states.

    Science.gov (United States)

    Ponzi, Aurora; Sapunar, Marin; Angeli, Celestino; Cimiraglia, Renzo; Došlić, Nađa; Decleva, Piero

    2016-02-28

    Here we present a comparative computational study of the photoionization of furan from the ground and the two lowest-lying excited electronic states. The study aims to assess the quality of the computational methods currently employed for treating bound and continuum states in photoionization. For the ionization from the ground electronic state, we show that the Dyson orbital approach combined with an accurate solution of the continuum one particle wave functions in a multicenter B-spline basis, at the density functional theory (DFT) level, provides cross sections and asymmetry parameters in excellent agreement with experimental data. On the contrary, when the Dyson orbitals approach is combined with the Coulomb and orthogonalized Coulomb treatments of the continuum, the results are qualitatively different. In excited electronic states, three electronic structure methods, TDDFT, ADC(2), and CASSCF, have been used for the computation of the Dyson orbitals, while the continuum was treated at the B-spline/DFT level. We show that photoionization observables are sensitive probes of the nature of the excited states as well as of the quality of excited state wave functions. This paves the way for applications in more complex situations such as time resolved photoionization spectroscopy.

  4. Electron capture to autoionizing states of multiply charged ions

    International Nuclear Information System (INIS)

    Mack, E.M.

    1987-01-01

    The present thesis investigates electron capture reactions resulting from slow collisions (V q+ ) and neutral gas targets (B). The energy spectra of the emitted electrons are measured; detection angle is 50 0 . Mainly, autoionizing double capture resulting from collisions with two-electron targets (He, H 2 ) is studied; then, the emitted electrons stem from doubly excited projectile states. The projectiles used are bare C 6+ , the H-like and He-like ions of C, N and O, He-like Ne 8+ and Ne-like Ar 8+ . Excited metastable projectiles used are C 5+ (2s), He-like projectiles A q+ (1s2s 3 S) and Ar 8+ (...2p 5 3s). Comparison is made with the predictions of a recently proposed extended classical barrier model, that was developed in connection with the work. This model assumes sequential capture of the electrons ('two-step' process); it predicts the realized binding enegies of the captured electrons - which may be directly determined from the autoionization spectra using only the projectile charge, the ionization potentials of the target and the collision velocity as parameters. No adjustable parameter enters into the calculations. The term energies and decay modes of the highly excited product ions themselves are studied. Generally, the autoionizing decay of these states is found to proceed preferentially to the directly adjacent lower singly excited state. Experimental evidence is presented, that triply excited states decay by successive emission of two electrons, whenever this is energetically possible. Finally, the L-MM decay in few-electron systems is considered. 314 refs.; 96 figs.; 29 tabs

  5. Integral cross sections for electron impact excitation of vibrational and electronic states in phenol

    Energy Technology Data Exchange (ETDEWEB)

    Neves, R. F. C. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide SA 5001 (Australia); Instituto Federal do Sul de Minas Gerais, Campus Poços de Caldas, Minas Gerais (Brazil); Departamento de Física, Universidade Federal de Juiz de Fora, 36036-330 Juiz de Fora, Minas Gerais (Brazil); Jones, D. B. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide SA 5001 (Australia); Lopes, M. C. A. [Departamento de Física, Universidade Federal de Juiz de Fora, 36036-330 Juiz de Fora, Minas Gerais (Brazil); Blanco, F. [Departamento de Física Atómica, Molecular y Nuclear, Universidad Complutense de Madrid, 28040 Madrid (Spain); García, G. [Instituto de Física Fundamental, CSIC, Serrano 113-bis, 28006 Madrid (Spain); Ratnavelu, K. [Institute of Mathematical Sciences, University of Malaya, 50603 Kuala Lumpur (Malaysia); Brunger, M. J., E-mail: Michael.Brunger@flinders.edu.au [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide SA 5001 (Australia); Institute of Mathematical Sciences, University of Malaya, 50603 Kuala Lumpur (Malaysia)

    2015-05-21

    We report on measurements of integral cross sections (ICSs) for electron impact excitation of a series of composite vibrational modes and electronic-states in phenol, where the energy range of those experiments was 15–250 eV. There are currently no other results against which we can directly compare those measured data. We also report results from our independent atom model with screened additivity rule correction computations, namely, for the inelastic ICS (all discrete electronic states and neutral dissociation) and the total ionisation ICS. In addition, for the relevant dipole-allowed excited electronic states, we also report f-scaled Born-level and energy-corrected and f-scaled Born-level (BEf-scaled) ICS. Where possible, our measured and calculated ICSs are compared against one another with the general level of accord between them being satisfactory to within the measurement uncertainties.

  6. Structural stability and the electronic and magnetic properties of ferrimagnetic Mn_4N(0 0 1) surfaces

    International Nuclear Information System (INIS)

    Guerrero-Sánchez, J.; Takeuchi, Noboru

    2017-01-01

    Highlights: • Surface formation energy calculations demonstrate a N-dependent stability. • The magnetic alignment of these surfaces remains bulk-like, in a ferrimagnetic fashion. • A ferrimagnetic behavior in both structures is confirmed by density of states calculations. - Abstract: We have carried out spin-polarized first principles calculations to describe the surface stability and the electronic and magnetic properties of Mn_4N(0 0 1) surfaces. Results show two different surface terminations with different N content. The surface formation energies indicate that for manganese rich conditions the most stable structure is a MnN terminated surface. Whereas, from intermediate to nitrogen rich conditions, a MnN terminated surface with excess of nitrogen atoms is the most favorable. The stability of these surfaces can be traced to the formation of Mn–N bonds at the surface. The stable surfaces are Ferrimagnetic along the direction perpendicular to the surface, retaining a bulk-like behavior. However, there is a decrease in the Mn magnetic moments due to the presence of the surface. Density of states shows an asymmetric behavior, inherent of a Ferrimagnetic state. Finally, the surfaces are metallic with the main contributions around the Fermi level coming from the Mn-d orbitals. The knowledge about the atomic arrangements of the Mn_4N surfaces may serve to explain and understand the formation of more complex and technologically applicable ferromagnetic/ferrimagnetic and antiferromagnetic/ferrimagnetic heterostructures.

  7. Structural stability and the electronic and magnetic properties of ferrimagnetic Mn{sub 4}N(0 0 1) surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Guerrero-Sánchez, J., E-mail: guerrero@cnyn.unam.mx; Takeuchi, Noboru

    2017-06-15

    Highlights: • Surface formation energy calculations demonstrate a N-dependent stability. • The magnetic alignment of these surfaces remains bulk-like, in a ferrimagnetic fashion. • A ferrimagnetic behavior in both structures is confirmed by density of states calculations. - Abstract: We have carried out spin-polarized first principles calculations to describe the surface stability and the electronic and magnetic properties of Mn{sub 4}N(0 0 1) surfaces. Results show two different surface terminations with different N content. The surface formation energies indicate that for manganese rich conditions the most stable structure is a MnN terminated surface. Whereas, from intermediate to nitrogen rich conditions, a MnN terminated surface with excess of nitrogen atoms is the most favorable. The stability of these surfaces can be traced to the formation of Mn–N bonds at the surface. The stable surfaces are Ferrimagnetic along the direction perpendicular to the surface, retaining a bulk-like behavior. However, there is a decrease in the Mn magnetic moments due to the presence of the surface. Density of states shows an asymmetric behavior, inherent of a Ferrimagnetic state. Finally, the surfaces are metallic with the main contributions around the Fermi level coming from the Mn-d orbitals. The knowledge about the atomic arrangements of the Mn{sub 4}N surfaces may serve to explain and understand the formation of more complex and technologically applicable ferromagnetic/ferrimagnetic and antiferromagnetic/ferrimagnetic heterostructures.

  8. Electron momentum spectroscopy of the core state of solid carbon

    International Nuclear Information System (INIS)

    Caprari, R.S.; Clark, S.A.C.; McCarthy, I.E.; Storer, P.J.; Vos, M.; Weigold, E.

    1994-08-01

    Electron momentum spectroscopy (binary encounter (e,2e)) experimental results are presented for the core state of an amorphous carbon allotrope. The (e,2e) cross section has two identifiable regions. One is a narrow energy width 'core band peak' that does not disperse with momentum. At higher binding energies there is an energy diffuse 'multiple scattering continuum', which is a consequence of (e,2e) collisions with core electrons that are accompanied by inelastic scattering of one or more of the incoming or outgoing electrons. Comparisons of experimental momentum distributions with the Hartree-Fock atomic carbon ls orbital are presented for both regions. 16 refs., 4 figs

  9. Dipole-bound states as doorways in (dissociative) electron attachment

    International Nuclear Information System (INIS)

    Sommerfeld, Thomas

    2005-01-01

    This communication starts with a comparison of dissociative recombination and dissociative attachment placing emphasis on the role of resonances as reactive intermediates. The main focus is then the mechanism of electron attachment to polar molecules at very low energies (100 meV). The scheme considered consists of two steps: First, an electron is captured in a diffuse dipole-bound state depositing its energy in the vibrational degrees of freedom, in other words, a vibrational Feshbach resonance is formed. Then, owing to the coupling with a valence state, the electron is transferred into a compact valence orbital, and depending on the electron affinities of the valence state and possible dissociation products, as well as on the details of the intramolecular redistribution of vibrational energy, long-lived anions can be generated or dissociation reactions can be initiated. The key property in this context is the electronic coupling strength between the diffuse dipole-bound and the compact valence states. We describe how the coupling strength can be extracted from ab initio data, and present results for Nitromethane, Uracil and Cyanoacetylene

  10. Electron-nuclear magnetic resonance in the inverted state

    International Nuclear Information System (INIS)

    Ignatchenko, V.A.; Tsifrinovich, V.I.

    1975-01-01

    The paper considers the susceptibility of the electron-nucleus system of a ferromagnet when nuclear magnetization is inverted with respect to the hyperfine field direction. The inverted state is a situation in which nuclear magnetization is turned through π relative to its equilibrium orientation, whereas electron magnetization is in an equilibrium state with respect to an external magnetic field. The consideration is carried out for a thin plate magnetized in its plane. Amplification of a weak radiofrequency signal can be attained under the fulfilment of an additional inequality relating the interaction frequency with electron and nuclear relaxation parameters. The gain may exceed the gain for an inverted nuclear system in magnetically disordered substances. In the range of strong interaction between the frequencies of ferromagnetic (FMR) and nuclear magnetic (NMR) resonances the electron-nuclear magnetic resonance (ENMR) spectrum possesses a fine structure which is inverse to that obtained for the ENMR spectrum in a normal state. The inverted state ENMR line shape is analysed in detail for the case of so weak HF fields that the relaxation conditions may be regarded as stationary. The initial (linear) stages of a forced transient process arising in an electron-nuclear system under the effect of a strong HF field are briefly analysed

  11. Topology of the Adiabatic Potential Energy Surfaces for theResonance States of the Water Anion

    Energy Technology Data Exchange (ETDEWEB)

    Haxton, Daniel J.; Rescigno, Thomas N.; McCurdy, C. William

    2005-04-15

    The potential energy surfaces corresponding to the long-lived fixed-nuclei electron scattering resonances of H{sub 2}O relevant to the dissociative electron attachment process are examined using a combination of ab initio scattering and bound-state calculations. These surfaces have a rich topology, characterized by three main features: a conical intersection between the {sup 2}A{sub 1} and {sup 2}B{sub 2} Feshbach resonance states; charge-transfer behavior in the OH ({sup 2}{Pi}) + H{sup -} asymptote of the {sup 2}B{sub 1} and {sup 2}A{sub 1} resonances; and an inherent double-valuedness of the surface for the {sup 2}B{sub 2} state the C{sub 2v} geometry, arising from a branch-point degeneracy with a {sup 2}B{sub 2} shape resonance. In total, eight individual seams of degeneracy among these resonances are located.

  12. Relaxation of excited surface states of thin Ge-implanted silica films probed by OSEE spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Zatsepin, A.F., E-mail: a.f.zatsepin@urfu.ru [Ural Federal University, Mira Street 19, 620002 Ekaterinburg (Russian Federation); Buntov, E.A.; Mikhailovich, A.P.; Slesarev, A.I. [Ural Federal University, Mira Street 19, 620002 Ekaterinburg (Russian Federation); Schmidt, B. [Research Center Dresden-Rossendorf, Institute of Ion Beam Physics and Materials Research, P.O. Box 510119, D-01314 Dresden (Germany); Czarnowski, A. von; Fitting, Hans-Joachim [Institute of Physics, University of Rostock, Universitätsplatz 3, D-18051 Rostock (Germany)

    2016-01-15

    As an example of thin silica films, 30 nm SiO{sub 2}–Si heterostructures implanted with Ge{sup +} ions (10{sup 16} cm{sup −2} fluence) and rapid thermally annealed (RTA) at 950 °C are studied by means of optically stimulated electron emission (OSEE) in the spectral region of optical transparency for bulk silica. Quartz glass samples were used as references. Experimental data revealed a strong dependence between electron emission spectral features and RTA annealing time. The spectral contributions of both surface band tail states and interband transitions were clearly distinguished. The application of emission Urbach rule as well as Kane and Pässler equations allowed to analyze the OSEE spectra at different optical excitation energy ranges and to retrieve the important microstructural and energy parameters. The observed correlations between parameter values of Urbach- and Kane-related models suggest the implantation-induced conversion of both the vibrational subsystem and energy band of surface and interface electronic states. - Highlights: • Peculiarities of electron emission from excited surface states of SiO{sub 2}:Ge structures are studied. • Spectral contributions of surface band tails and interband transitions are distinguished. • Urbach and Kane models allow to examine photo-thermal emission mechanism. • Surface energy gap and structural disorder parameters are determined.

  13. Leaky electronic states for photovoltaic photodetectors based on asymmetric superlattices

    Science.gov (United States)

    Penello, Germano Maioli; Pereira, Pedro Henrique; Pires, Mauricio Pamplona; Sivco, Deborah; Gmachl, Claire; Souza, Patricia Lustoza

    2018-01-01

    The concept of leaky electronic states in the continuum is used to achieve room temperature operation of photovoltaic superlattice infrared photodetectors. A structural asymmetric InGaAs/InAlAs potential profile is designed to create states in the continuum with the preferential direction for electron extraction and, consequently, to obtain photovoltaic operation at room temperature. Due to the photovoltaic operation and virtual increase in the bandoffset, the device presents both low dark current and low noise. The Johnson noise limited specific detectivity reaches values as high as 1.4 × 1011 Jones at 80 K. At 300 K, the detectivity obtained is 7.0 × 105 Jones.

  14. Ultrafast electron dynamics at alkali/ice structures adsorbed on a metal surface

    International Nuclear Information System (INIS)

    Meyer, Michael

    2011-01-01

    The goal of this work is to study the interaction between excess electrons in water ice structures adsorbed on metal surfaces and other charged or neutral species, like alkali ions, or chemically reactive molecules, like chlorofluorocarbons (CFC), respectively. The excess electrons in the ice can interact with the ions directly or indirectly via the hydrogen bonded water molecules. In both cases the presence of the alkali influences the population, localization, and lifetime of electronic states of excess electrons in the ice adlayer. These properties are of great relevance when considering the highly reactive character of the excess electrons, which can mediate chemical reactions by dissociative electron attachment (DEA). The influence of alkali adsorption on electron solvation and transfer dynamics in ice structures is investigated for two types of adsorption configurations using femtosecond time-resolved two-photon photoelectron spectroscopy. In the first system alkali atoms are coadsorbed on top of a wetting amorphous ice film adsorbed on Cu(111). At temperatures between 60 and 100 K alkali adsorption leads to the formation of positively charged alkali ions at the ice/vacuum interface. The interaction between the alkali ions at the surface and the dipole moments of the surrounding water molecules results in a reorientation of the water molecules. As a consequence new electron trapping sites, i.e. at local potential minima, are formed. Photoinjection of excess electrons into these alkali-ion covered amorphous ice layers, results in the trapping of a solvated electron at an alkali-ion/water complex. In contrast to solvation in pure amorphous ice films, where the electrons are located in the bulk of the ice layer, solvated electrons at alkali-ion/water complexes are located at the ice/vacuum interface. They exhibit lifetimes of several picoseconds and show a fast energetic stabilization. With ongoing solvation, i.e. pump-probe time delay, the electron transfer is

  15. Fabrication of surface micro- and nanostructures for superhydrophobic surfaces in electric and electronic applications

    Science.gov (United States)

    Xiu, Yonghao

    In our study, the superhydrophobic surface based on biomimetic lotus leave is explored to maintain the desired properties for self-cleaning. Parameters in controlling bead-up and roll-off characteristics of water droplets were investigated on different model surfaces. The governing equations were proposed. Heuristic study is performed. First, the fundamental understanding of the effect of roughness on superhydrophobicity is performed. The effect of hierarchical roughness, i.e., two scale roughness effect on roughness is investigated using systems of (1) monodisperse colloidal silica sphere (submicron) arrays and Au nanoparticle on top and (2) Si micrometer pyramids and Si nanostructures on top from KOH etching and metal assisted etching of Si. The relation between the contact area fraction and water droplet contact angles are derived based on Wenzel and Cassie-Baxter equation for the systems and the two scale effect is explained regarding the synergistic combination of two scales. Previously the microscopic three-phase-contact line is thought to be the key factor in determining contact angles and hystereses. In our study, Laplace pressure was brought up and related to the three-phase-contact line and taken as a key figure of merit in determining superhydrophobicity. In addition, we are one of the first to study the effect of tapered structures (wall inclination). Combining with a second scale roughness on the tapered structures, stable Cassie state for both water and low surface energy oil may be achieved. This is of great significance for designing both superhydrophobicity and superoleophobicity. Regarding the origin of contact angle hysteresis, study of superhydrophobicity on micrometer Si pillars was performed. The relation between the interface work of function and contact angle hysteresis was proposed and derived mathematically based on the Young-Dupre equation. The three-phase-contact line was further related to a secondary scale roughness induced. Based on

  16. Morphology, surface roughness, electron inelastic and quasi-elastic scattering in elastic peak electron spectroscopy of polymers

    International Nuclear Information System (INIS)

    Lesiak, B.; Kosinski, A.; Nowakowski, R.; Koever, L.; Toth, J.; Varga, D.; Cserny, I.; Sulyok, A.; Gergely, G.

    2006-01-01

    Complete text of publication follows. Elastic peak electron spectroscopy (EPES) deals with the interaction of electrons with atoms of a solid surface, studying the distribution of electrons backscattered elastically. The nearest vicinity of the elastic peak, (low kinetic energy region) reflects both, electron inelastic and quasi-elastic processes. The incident electrons produce surface excitations, inducing surface plasmons with the corresponding loss peaks separated by 1 - 20 eV energy from the elastic peak. Quasi-elastic losses result from the recoil of scattering atoms of different atomic number, Z. The respective energy shift and Doppler broadening of the elastic peak depend on Z, the primary electron energy, E, and the measurement geometry. Quantitative surface analytical application of EPES, such as determination of parameters describing electron transport, requires a comparison of experimental data with corresponding data derived from Monte Carlo (MC) simulation. Several problems occur in EPES studies of polymers. The intensity of elastic peak, considered in quantitative surface analysis, is influenced by both, the inelastic and quasi-elastic scattering processes (especially for hydrogen scattering atoms and primary electron energy above 1000 eV). An additional factor affecting the elastic peak intensity is the surface morphology and roughness. The present work compares the effect of these factors on the elastic peak intensity for selected polymers (polyethylene, polyaniline and polythiophenes). X-ray photoelectron spectroscopy (XPS) and helium pycnometry are applied for deriving the surface atomic composition and the bulk density, while scanning electron microscopy (SEM) and atomic force microscopy (AFM) for determining surface morphology and roughness. According to presented results, the influence of surface morphology and roughness is larger than those of surface excitations or recoil of hydrogen atoms. The component due to recoil of hydrogen atoms can be

  17. Electronic structure and transport on the surface of topological insulator attached to an electromagnetic superlattice

    International Nuclear Information System (INIS)

    Wang Haiyan; Chen Xiongwen; Zhou Xiaoying; Zhang Lebo; Zhou Guanghui

    2012-01-01

    We study the electronic structure and transport for Dirac electron on the surface of a three-dimensional (3D) topological insulator attached to an electromagnetic superlattice. It is found that, by means of the transfer-matrix method, the number of electronic tunneling channels for magnetic barriers in antiparallel alignment is larger than that in parallel alignment, which stems to the energy band structures. Interestingly, a remarkable semiconducting transport behavior appears in this system with a strong magnetic barrier due to low energy band nearly paralleling to the Fermi level. Consequently, there is only small incident angle transport in the higher energy region when the system is modulated mainly by the higher electric barriers. We further find that the spatial distribution of the spin polarization oscillates periodically in the incoming region, but it is almost in-plane with a fixed direction in the transmitting region. The results may provide a further understanding of the nature of 3D TI surface states, and may be useful in the design of topological insulator-based electronic devices such as collimating electron beam.

  18. Third-order polynomial model for analyzing stickup state laminated structure in flexible electronics

    Science.gov (United States)

    Meng, Xianhong; Wang, Zihao; Liu, Boya; Wang, Shuodao

    2018-02-01

    Laminated hard-soft integrated structures play a significant role in the fabrication and development of flexible electronics devices. Flexible electronics have advantageous characteristics such as soft and light-weight, can be folded, twisted, flipped inside-out, or be pasted onto other surfaces of arbitrary shapes. In this paper, an analytical model is presented to study the mechanics of laminated hard-soft structures in flexible electronics under a stickup state. Third-order polynomials are used to describe the displacement field, and the principle of virtual work is adopted to derive the governing equations and boundary conditions. The normal strain and the shear stress along the thickness direction in the bi-material region are obtained analytically, which agree well with the results from finite element analysis. The analytical model can be used to analyze stickup state laminated structures, and can serve as a valuable reference for the failure prediction and optimal design of flexible electronics in the future.

  19. Quasi-one-dimensional electron transport over the surface of a liquid-helium film

    International Nuclear Information System (INIS)

    Sokolov, Sviatoslav; Studart, Nelson

    2003-01-01

    Quasi-one-dimensional mobility of surface electrons over a liquid-helium suspended film is studied for a conducting channel. The electron mobility is calculated taking into account the electron scattering by helium atoms in the vapor phase, ripplons, and surface defects of the film substrate both in one-electron regime and in the so-called complete-control limit where the influence of inter-electron collisions on the electron distribution function is taken into account. It is shown that the mobility for low temperatures is dominated by the surface-defect scattering and its temperature dependence is essentially different from that of the electron-ripplon scattering

  20. Surface chemistry and electronic structure of nonpolar and polar GaN films

    Energy Technology Data Exchange (ETDEWEB)

    Mishra, Monu; Krishna, T.C. Shibin; Aggarwal, Neha; Gupta, Govind, E-mail: govind@nplindia.org

    2015-08-01

    Highlights: • Surface chemistry and electronic structure of polar and nonpolar GaN is reported. • Influence of polarization on electron affinity of p & np GaN films is investigated. • Correlation between surface morphology and polarity has been deduced. - Abstract: Photoemission and microscopic analysis of nonpolar (a-GaN/r-Sapphire) and polar (c-GaN/c-Sapphire) epitaxial gallium nitride (GaN) films grown via RF-Molecular Beam Epitaxy is reported. The effect of polarization on surface properties like surface states, electronic structure, chemical bonding and morphology has been investigated and correlated. It was observed that polarization lead to shifts in core level (CL) as well as valence band (VB) spectra. Angle dependent X-ray Photoelectron Spectroscopic analysis revealed higher surface oxide in polar GaN film compared to nonpolar GaN film. On varying the take off angle (TOA) from 0° to 60°, the Ga−O/Ga−N ratio varied from 0.11–0.23 for nonpolar and 0.17–0.36 for polar GaN film. The nonpolar film exhibited N-face polarity while Ga-face polarity was perceived in polar GaN film due to the inherent polarization effect. Polarization charge compensated surface states were observed on the polar GaN film and resulted in downward band bending. Ultraviolet photoelectron spectroscopic measurements revealed electron affinity and ionization energy of 3.4 ± 0.1 eV and 6.8 ± 0.1 eV for nonpolar GaN film and 3.8 ± 0.1 eV and 7.2 ± 0.1 eV for polar GaN film respectively. Field Emission Scanning Electron Microscopy measurements divulged smooth morphology with pits on polar GaN film. The nonpolar film on the other hand showed pyramidal structures having facets all over the surface.

  1. Electronic structure and dynamics of metal and metal-covered surfaces

    International Nuclear Information System (INIS)

    Yang, Shu.

    1992-01-01

    The unoccupied electronic states of;Ni(111) and Al(111) have been studied using angle-resolved inverse-photoemission (IPE) spectroscopy. We have characterized the n = 1 image potential state on Ni(111) measuring an effective mass of m * /m = 1, consistent with recent two-photon photoemission results as well as theoretical calculations using a phase-analysis model, but differing considerably from the earlier angle-resolved IPE measurements. The bulk related features on Ni(111) observed in our experiment agree very well with an empirical Ni band structure calculation. On Al(111), we have conducted an extensive study of the image potential resonance using both angle-resolved IPE spectroscopy and tunneling spectroscopy with the scanning tunneling microscope. We have used Al as a testing case for both nearly-free-electron model and first-principles calculations were needed to obtain a semi-quantitative account of the bulk features of Al, a simple metal. Improved quantitative agreement occurred when excitation effects were considered. In addition, several surface resonance features have been identified and characterized on Al(111). We have also conducted a geometric structural investigation of a metal overlayer system, Ni/Cu(111), using high-resolution electron energy loss spectroscopy with CO as a probe molecule. The results indicate island formation and two-dimensional mixing at the initial stage of bimetallic interface formation. A new adsorption site with CO bonded to both Ni and Cu has been discovered on the Ni-Cu intermixed surface. IPE results for the Cu-covered Ni(111) surface show an enhanced angular range for the Cu image state. Finally, the unique ability of Auger-photoelectron coincidence spectroscopy to probing local valence electronic structure has been tested in a case study of TaC(111). A novel Auger decay channel has also been observed

  2. Dynamic, electronically switchable surfaces for membrane protein microarrays.

    Science.gov (United States)

    Tang, C S; Dusseiller, M; Makohliso, S; Heuschkel, M; Sharma, S; Keller, B; Vörös, J

    2006-02-01

    Microarray technology is a powerful tool that provides a high throughput of bioanalytical information within a single experiment. These miniaturized and parallelized binding assays are highly sensitive and have found widespread popularity especially during the genomic era. However, as drug diagnostics studies are often targeted at membrane proteins, the current arraying technologies are ill-equipped to handle the fragile nature of the protein molecules. In addition, to understand the complex structure and functions of proteins, different strategies to immobilize the probe molecules selectively onto a platform for protein microarray are required. We propose a novel approach to create a (membrane) protein microarray by using an indium tin oxide (ITO) microelectrode array with an electronic multiplexing capability. A polycationic, protein- and vesicle-resistant copolymer, poly(l-lysine)-grafted-poly(ethylene glycol) (PLL-g-PEG), is exposed to and adsorbed uniformly onto the microelectrode array, as a passivating adlayer. An electronic stimulation is then applied onto the individual ITO microelectrodes resulting in the localized release of the polymer thus revealing a bare ITO surface. Different polymer and biological moieties are specifically immobilized onto the activated ITO microelectrodes while the other regions remain protein-resistant as they are unaffected by the induced electrical potential. The desorption process of the PLL-g-PEG is observed to be highly selective, rapid, and reversible without compromising on the integrity and performance of the conductive ITO microelectrodes. As such, we have successfully created a stable and heterogeneous microarray of biomolecules by using selective electronic addressing on ITO microelectrodes. Both pharmaceutical diagnostics and biomedical technology are expected to benefit directly from this unique method.

  3. Pressure controlled transition into a self-induced topological superconducting surface state

    KAUST Repository

    Zhu, Zhiyong; Cheng, Yingchun; Schwingenschlö gl, Udo

    2014-01-01

    Ab-initio calculations show a pressure induced trivial-nontrivial-trivial topological phase transition in the normal state of 1T-TiSe2. The pressure range in which the nontrivial phase emerges overlaps with that of the superconducting ground state. Thus, topological superconductivity can be induced in protected surface states by the proximity effect of superconducting bulk states. This kind of self-induced topological surface superconductivity is promising for a realization of Majorana fermions due to the absence of lattice and chemical potential mismatches. For appropriate electron doping, the formation of the topological superconducting surface state in 1T-TiSe 2 becomes accessible to experiments as it can be controlled by pressure.

  4. Pressure controlled transition into a self-induced topological superconducting surface state

    KAUST Repository

    Zhu, Zhiyong

    2014-02-07

    Ab-initio calculations show a pressure induced trivial-nontrivial-trivial topological phase transition in the normal state of 1T-TiSe2. The pressure range in which the nontrivial phase emerges overlaps with that of the superconducting ground state. Thus, topological superconductivity can be induced in protected surface states by the proximity effect of superconducting bulk states. This kind of self-induced topological surface superconductivity is promising for a realization of Majorana fermions due to the absence of lattice and chemical potential mismatches. For appropriate electron doping, the formation of the topological superconducting surface state in 1T-TiSe 2 becomes accessible to experiments as it can be controlled by pressure.

  5. Electron Energy Loss Spectroscopy imaging of surface plasmons at the nanometer scale

    Energy Technology Data Exchange (ETDEWEB)

    Colliex, Christian, E-mail: christian.colliex@u-psud.fr; Kociak, Mathieu; Stéphan, Odile

    2016-03-15

    Since their first realization, electron microscopes have demonstrated their unique ability to map with highest spatial resolution (sub-atomic in most recent instruments) the position of atoms as a consequence of the strong scattering of the incident high energy electrons by the nuclei of the material under investigation. When interacting with the electron clouds either on atomic orbitals or delocalized over the specimen, the associated energy transfer, measured and analyzed as an energy loss (Electron Energy Loss Spectroscopy) gives access to analytical properties (atom identification, electron states symmetry and localization). In the moderate energy-loss domain (corresponding to an optical spectral domain from the infrared (IR) to the rather far ultra violet (UV), EELS spectra exhibit characteristic collective excitations of the rather-free electron gas, known as plasmons. Boundary conditions, such as surfaces and/or interfaces between metallic and dielectric media, generate localized surface charge oscillations, surface plasmons (SP), which are associated with confined electric fields. This domain of research has been extraordinarily revived over the past few years as a consequence of the burst of interest for structures and devices guiding, enhancing and controlling light at the sub-wavelength scale. The present review focuses on the study of these surface plasmons with an electron microscopy-based approach which associates spectroscopy and mapping at the level of a single and well-defined nano-object, typically at the nanometer scale i.e. much improved with respect to standard, and even near-field, optical techniques. After calling to mind some early studies, we will briefly mention a few basic aspects of the required instrumentation and associated theoretical tools to interpret the very rich data sets recorded with the latest generation of (Scanning)TEM microscopes. The following paragraphs will review in more detail the results obtained on simple planar and

  6. Electron Energy Loss Spectroscopy imaging of surface plasmons at the nanometer scale.

    Science.gov (United States)

    Colliex, Christian; Kociak, Mathieu; Stéphan, Odile

    2016-03-01

    Since their first realization, electron microscopes have demonstrated their unique ability to map with highest spatial resolution (sub-atomic in most recent instruments) the position of atoms as a consequence of the strong scattering of the incident high energy electrons by the nuclei of the material under investigation. When interacting with the electron clouds either on atomic orbitals or delocalized over the specimen, the associated energy transfer, measured and analyzed as an energy loss (Electron Energy Loss Spectroscopy) gives access to analytical properties (atom identification, electron states symmetry and localization). In the moderate energy-loss domain (corresponding to an optical spectral domain from the infrared (IR) to the rather far ultra violet (UV), EELS spectra exhibit characteristic collective excitations of the rather-free electron gas, known as plasmons. Boundary conditions, such as surfaces and/or interfaces between metallic and dielectric media, generate localized surface charge oscillations, surface plasmons (SP), which are associated with confined electric fields. This domain of research has been extraordinarily revived over the past few years as a consequence of the burst of interest for structures and devices guiding, enhancing and controlling light at the sub-wavelength scale. The present review focuses on the study of these surface plasmons with an electron microscopy-based approach which associates spectroscopy and mapping at the level of a single and well-defined nano-object, typically at the nanometer scale i.e. much improved with respect to standard, and even near-field, optical techniques. After calling to mind some early studies, we will briefly mention a few basic aspects of the required instrumentation and associated theoretical tools to interpret the very rich data sets recorded with the latest generation of (Scanning)TEM microscopes. The following paragraphs will review in more detail the results obtained on simple planar and

  7. Electron Energy Loss Spectroscopy imaging of surface plasmons at the nanometer scale

    International Nuclear Information System (INIS)

    Colliex, Christian; Kociak, Mathieu; Stéphan, Odile

    2016-01-01

    Since their first realization, electron microscopes have demonstrated their unique ability to map with highest spatial resolution (sub-atomic in most recent instruments) the position of atoms as a consequence of the strong scattering of the incident high energy electrons by the nuclei of the material under investigation. When interacting with the electron clouds either on atomic orbitals or delocalized over the specimen, the associated energy transfer, measured and analyzed as an energy loss (Electron Energy Loss Spectroscopy) gives access to analytical properties (atom identification, electron states symmetry and localization). In the moderate energy-loss domain (corresponding to an optical spectral domain from the infrared (IR) to the rather far ultra violet (UV), EELS spectra exhibit characteristic collective excitations of the rather-free electron gas, known as plasmons. Boundary conditions, such as surfaces and/or interfaces between metallic and dielectric media, generate localized surface charge oscillations, surface plasmons (SP), which are associated with confined electric fields. This domain of research has been extraordinarily revived over the past few years as a consequence of the burst of interest for structures and devices guiding, enhancing and controlling light at the sub-wavelength scale. The present review focuses on the study of these surface plasmons with an electron microscopy-based approach which associates spectroscopy and mapping at the level of a single and well-defined nano-object, typically at the nanometer scale i.e. much improved with respect to standard, and even near-field, optical techniques. After calling to mind some early studies, we will briefly mention a few basic aspects of the required instrumentation and associated theoretical tools to interpret the very rich data sets recorded with the latest generation of (Scanning)TEM microscopes. The following paragraphs will review in more detail the results obtained on simple planar and

  8. Database for Simulation of Electron Spectra for Surface Analysis (SESSA)Database for Simulation of Electron Spectra for Surface Analysis (SESSA)

    Science.gov (United States)

    SRD 100 Database for Simulation of Electron Spectra for Surface Analysis (SESSA)Database for Simulation of Electron Spectra for Surface Analysis (SESSA) (PC database for purchase)   This database has been designed to facilitate quantitative interpretation of Auger-electron and X-ray photoelectron spectra and to improve the accuracy of quantitation in routine analysis. The database contains all physical data needed to perform quantitative interpretation of an electron spectrum for a thin-film specimen of given composition. A simulation module provides an estimate of peak intensities as well as the energy and angular distributions of the emitted electron flux.

  9. A scanning Auger electron spectrometer for internal surface analysis of Large Electron Positron 2 superconducting radio-frequency cavities

    Science.gov (United States)

    Benvenuti, C.; Cosso, R.; Genest, J.; Hauer, M.; Lacarrère, D.; Rijllart, A.; Saban, R.

    1996-08-01

    A computer-controlled surface analysis instrument, incorporating static Auger electron spectroscopy, scanning Auger mapping, and secondary electron imaging, has been designed and built at CERN to study and characterize the inner surface of superconducting radio-frequency cavities to be installed in the Large Electron Positron collider. A detailed description of the instrument, including the analytical head, the control system, and the vacuum system is presented. Some recent results obtained from the cavities provide examples of the instrument's capabilities.

  10. Electronic states of graphene nanoribbons and analytical solutions

    Directory of Open Access Journals (Sweden)

    Katsunori Wakabayashi, Ken-ichi Sasaki, Takeshi Nakanishi and Toshiaki Enoki

    2010-01-01

    Full Text Available Graphene is a one-atom-thick layer of graphite, where low-energy electronic states are described by the massless Dirac fermion. The orientation of the graphene edge determines the energy spectrum of π-electrons. For example, zigzag edges possess localized edge states with energies close to the Fermi level. In this review, we investigate nanoscale effects on the physical properties of graphene nanoribbons and clarify the role of edge boundaries. We also provide analytical solutions for electronic dispersion and the corresponding wavefunction in graphene nanoribbons with their detailed derivation using wave mechanics based on the tight-binding model. The energy band structures of armchair nanoribbons can be obtained by making the transverse wavenumber discrete, in accordance with the edge boundary condition, as in the case of carbon nanotubes. However, zigzag nanoribbons are not analogous to carbon nanotubes, because in zigzag nanoribbons the transverse wavenumber depends not only on the ribbon width but also on the longitudinal wavenumber. The quantization rule of electronic conductance as well as the magnetic instability of edge states due to the electron–electron interaction are briefly discussed.

  11. Trapped electronic states in YAG crystal excited by femtosecond radiation

    Energy Technology Data Exchange (ETDEWEB)

    Zavedeev, E.V.; Kononenko, V.V.; Konov, V.I. [General Physics Institute of RAS, Moscow (Russian Federation); National Research Nuclear University MEPhI (Moscow Engineering Physics Institute), Moscow (Russian Federation)

    2017-07-15

    The excitation of an electronic subsystem of an yttrium aluminum garnet by 800 nm femtosecond radiation was studied theoretically and experimentally. The spatio-temporal dynamics of the refractive index (n) inside the beam waist was explored by means of the pump-probe interferometric technique with a submicron resolution. The observed increase in n indicated the formation of bound electronic states relaxed for ∝ 150 ps. We showed that the experimental data agreed with the computational simulation based on the numerical solution of the nonlinear Schroedinger equation only if these transient states were considered to arise from a direct light-induced process but not from the decay of radiatively generated free-electron-hole pairs. (orig.)

  12. Ground-state electronic structure of actinide monocarbides and mononitrides

    DEFF Research Database (Denmark)

    Petit, Leon; Svane, Axel; Szotek, Z.

    2009-01-01

    The self-interaction corrected local spin-density approximation is used to investigate the ground-state valency configuration of the actinide ions in the actinide monocarbides, AC (A=U,Np,Pu,Am,Cm), and the actinide mononitrides, AN. The electronic structure is characterized by a gradually increa...

  13. Electron beam charge state amplifier (EBQA)--a conceptual evaluation

    International Nuclear Information System (INIS)

    Dooling, J. C.

    1998-01-01

    A concept is presented for stripping low-energy, radioactive ions from 1+ to higher charge states. Referred to as an Electron Beam Charge State Amplifier (EBQA), this device accepts a continuous beam of singly-charged, radioactive ions and passes them through a high-density electron beam confined by a solenoidal magnetic field. Singly-charged ions may be extracted from standard Isotope-Separator-Online (ISOL) sources. An EBQA is potentially useful for increasing the charge state of ions prior to injection into post-acceleration stages at ISOL radioactive beam facilities. The stripping efficiency from q=1+ to 2+ (η 12 ) is evaluated as a function of electron beam radius at constant current with solenoid field, injected ion energy, and ion beam emittance used as parameters. Assuming a 5 keV, 1 A electron beam, η 12 = 0.38 for 0.1 keV, 132 Xe ions passing through an 8 Tesla solenoid, 1 m in length. Multi-pass configurations to achieve 3+ or 4+ charge states are also conceivable. The calculated efficiencies depend inversely on the initial ion beam emittances. The use of a helium-buffer-gas, ion-guide stage to improve the brightness of the 1+ beams [1] may enhance the performance of an EBQA

  14. Theoretical study of the localization of excess electrons at the surface of ice

    International Nuclear Information System (INIS)

    Hermann, A; Schwerdtfeger, P; Schmidt, W G

    2008-01-01

    The localization of excess electrons at the basal plane surface of hexagonal ice Ih is investigated theoretically, combining density functional theory (DFT) with a partial self-interaction correction (SIC) scheme, to account for spurious self-interaction effects that artificially delocalize the excess electrons. Starting from energetically favored surface geometries, we find strong localization of excess electrons at surface dangling bonds, in particular for surface adsorbed water monomers and dimers

  15. Improvement of carbon fibre surface properties using electron beam irradiation

    International Nuclear Information System (INIS)

    Eddy Segura Pino; Luci Diva Brocardo Machado; Claudia Giovedi

    2006-01-01

    Carbon fiber-reinforced advance composites have been used for structural applications, mainly due to their mechanical properties, and additional features such as high strength-to-weight ratio, stiffness-to-weight ratio, corrosion resistance and wear properties. The main factor for a good mechanical performance of carbon fiber-reinforced composite is the interfacial interaction between the components that are fiber and polymeric matrix. The greatest challenge is to improve adhesion between components having elasticity modulus which differ by orders of magnitude and furthermore they are immiscible in each other. Another important factor is the sizing material on the carbon fiber, which protects the carbon fiber filaments and must be compatible with the matrix material in order to improve the adhesion process. The interaction of ionizing radiation from electron beam can induce in the irradiated material the formation of very active centers and free radicals. Further evolution of these active species can significantly modify structure and properties not only in the irradiated polymeric matrix but also on the fiber surface. So that, fiber and matrix play an important role in the production of chemical bonds, which promote better adhesion between both materials improving the composite mechanical performance. The aim of this work was to improve the surface properties of the carbon fiber surface using ionizing radiation from an electron beam in order to obtain improvement of the adhesion properties in the resulted composite. Commercial carbon fiber roving of high tensile strength with 12 000 filaments named 12 k, and sizing material of epoxy resin modified by ester groups was studied. EB irradiation has been carried out at the Institute for Nuclear and Energy Research (IPEN) facilities using a 1.5 MeV 37.5 kW Dynamitron electron accelerator model JOB-188. Rovings of carbon fibers with 1.78 g cm -3 density and 0.13 mm thickness were irradiated with 0.555 MeV, 6.43 mA and

  16. Influence of scattering processes on electron quantum states in nanowires

    Directory of Open Access Journals (Sweden)

    Pozdnyakov Dmitry

    2007-01-01

    Full Text Available AbstractIn the framework of quantum perturbation theory the self-consistent method of calculation of electron scattering rates in nanowires with the one-dimensional electron gas in the quantum limit is worked out. The developed method allows both the collisional broadening and the quantum correlations between scattering events to be taken into account. It is an alternativeper seto the Fock approximation for the self-energy approach based on Green’s function formalism. However this approach is free of mathematical difficulties typical to the Fock approximation. Moreover, the developed method is simpler than the Fock approximation from the computational point of view. Using the approximation of stable one-particle quantum states it is proved that the electron scattering processes determine the dependence of electron energy versus its wave vector.

  17. Chemical Modification of Semiconductor Surfaces for Molecular Electronics.

    Science.gov (United States)

    Vilan, Ayelet; Cahen, David

    2017-03-08

    Inserting molecular monolayers within metal/semiconductor interfaces provides one of the most powerful expressions of how minute chemical modifications can affect electronic devices. This topic also has direct importance for technology as it can help improve the efficiency of a variety of electronic devices such as solar cells, LEDs, sensors, and possible future bioelectronic ones. The review covers the main aspects of using chemistry to control the various aspects of interface electrostatics, such as passivation of interface states and alignment of energy levels by intrinsic molecular polarization, as well as charge rearrangement with the adjacent metal and semiconducting contacts. One of the greatest merits of molecular monolayers is their capability to form excellent thin dielectrics, yielding rich and unique current-voltage characteristics for transport across metal/molecular monolayer/semiconductor interfaces. We explain the interplay between the monolayer as tunneling barrier on the one hand, and the electrostatic barrier within the semiconductor, due to its space-charge region, on the other hand, as well as how different monolayer chemistries control each of these barriers. Practical tools to experimentally identify these two barriers and distinguish between them are given, followed by a short look to the future. This review is accompanied by another one, concerning the formation of large-area molecular junctions and charge transport that is dominated solely by molecules.

  18. Imaging of surface spin textures on bulk crystals by scanning electron microscopy

    Science.gov (United States)

    Akamine, Hiroshi; Okumura, So; Farjami, Sahar; Murakami, Yasukazu; Nishida, Minoru

    2016-11-01

    Direct observation of magnetic microstructures is vital for advancing spintronics and other technologies. Here we report a method for imaging surface domain structures on bulk samples by scanning electron microscopy (SEM). Complex magnetic domains, referred to as the maze state in CoPt/FePt alloys, were observed at a spatial resolution of less than 100 nm by using an in-lens annular detector. The method allows for imaging almost all the domain walls in the mazy structure, whereas the visualisation of the domain walls with the classical SEM method was limited. Our method provides a simple way to analyse surface domain structures in the bulk state that can be used in combination with SEM functions such as orientation or composition analysis. Thus, the method extends applications of SEM-based magnetic imaging, and is promising for resolving various problems at the forefront of fields including physics, magnetics, materials science, engineering, and chemistry.

  19. Photoelectric emission from negative-electron-affinity diamond (111) surfaces: Exciton breakup versus conduction-band emission

    International Nuclear Information System (INIS)

    Bandis, C.; Pate, B.B.

    1995-01-01

    We have recently reported that bound electron-hole pairs (Mott-Wannier excitons) are the dominant source of photoelectron emission from specially prepared [''as-polished'' C(111)-(1x1):H] negative-electron-affinity diamond surfaces for near-band-gap excitation up to 0.5 eV above threshold [C. Bandis and B. B. Pate, Phys. Rev. Lett. 74, 777 (1995)]. It was found that photoexcited excitons transport to the surface, break up, and emit their electron. In this paper, we extend the study of exciton-derived emission to include partial yield (constant final-state) analysis as well as angular distribution measurements of the photoelectric emission. In addition, we find that exciton-derived emission does not always dominate. Photoelectric emission properties of the in situ ''rehydrogenated'' (111)-(1x1):H diamond surface are characteristically different than emission observed from the as-polished (111)-(1x1):H surface. The rehydrogenated surface has additional downward band bending as compared to the as-polished surface. In confirmation of the assignment of photoelectric yield to exciton breakup emission, we find a significant enhancement of the total electron yield when the downward band bending of the hydrogenated surface is increased. The functional form of the observed total electron yield demonstrates that, in contrast to the as-polished surface, conduction-band electrons are a significant component of the observed photoelectric yield from the in situ hydrogenated (111)-(1x1):H surface. Furthermore, electron emission characteristics of the rehydrogenated surface confirms our assignment of a Fan phonon-cascade mechanism for thermalization of excitons

  20. Geometric effects on surface states in topological insulator Bi2Te3 nanowire

    Science.gov (United States)

    Sengupta, Parijat; Kubis, Tillman; Povolotskyi, Michael; Klimeck, Gerhard

    2012-02-01

    Bismuth Telluride (BT) is a 3D topological insulator (TI) with surface states that have energy dispersion linear in momentum and forms a Dirac cone at low energy. In this work we investigate the surface properties of a BT nanowire and demonstrate the existence of TI states. We also show how such states vanish under certain geometric conditions. An atomistic model (sp3d5s* TB) is used to compute the energy dispersion in a BT nanowire. Penetration depth of the surface states is estimated by ratio of Fermi velocity and band-gap. BT possesses a tiny band-gap, which creates small localization of surface states and greater penetration in to the bulk. To offset this large spatial penetration, which is undesirable to avoid a direct coupling between surfaces, we expect that bigger cross-sections of BT nanowires would be needed to obtain stable TI states. Our numerical work validates this prediction. Furthermore, geometry of the nanowire is shown to influence the TI states. Using a combined analytical and numerical approach our results reveal that surface roughness impact electronic structure leading to Rashba type splits along z-direction. Cylindrical and square cross-sections are given as illustrative examples.

  1. An all-silicon laser by coupling between electronic localized states and defect states of photonic crystal

    Energy Technology Data Exchange (ETDEWEB)

    Huang Weiqi, E-mail: WQHuang2001@yahoo.com [Institute of Nanophotonic Physics, Key Laboratory of Photoelectron Technology and Application, Guizhou University, Guiyang 550025 (China); Huang Zhongmei; Miao Xinjiang; Cai Chenlan; Liu Jiaxin; Lue Quan [Institute of Nanophotonic Physics, Key Laboratory of Photoelectron Technology and Application, Guizhou University, Guiyang 550025 (China); Liu Shirong, E-mail: Shirong@yahoo.com [State Key Laboratory of Ore Deposit Geochemistry Institute of Geochemistry, Chinese Academy of Sciences, Guiyang 550003 (China); Qin Chaojian [State Key Laboratory of Ore Deposit Geochemistry Institute of Geochemistry, Chinese Academy of Sciences, Guiyang 550003 (China)

    2012-01-15

    In a nano-laser of Si quantum dots (QD), the smaller QD fabricated by nanosecond pulse laser can form the pumping level tuned by the quantum confinement (QC) effect. Coupling between the active centers formed by localized states of surface bonds and the two-dimensional (2D) photonic crystal is used to select model in the nano-laser. The experimental demonstration is reported in which the peaks of stimulated emission at about 600 nm and 700 nm were observed on the Si QD prepared in oxygen after annealing which improves the stimulated emission. It is interesting to make a comparison between the localized electronic states in gap due to defect formed by surface bonds and the localized photonic states in gap of photonic band due to defect of 2D photonic crystal.

  2. Foucault's Pendulum, Analog for an Electron Spin State

    Science.gov (United States)

    Linck, Rebecca

    2012-11-01

    The classical Lagrangian that describes the coupled oscillations of Foucault's pendulum presents an interesting analog to an electron's spin state in an external magnetic field. With a simple modification, this classical Lagrangian yields equations of motion that directly map onto the Schrodinger-Pauli Equation. This analog goes well beyond the geometric phase, reproducing a broad range of behavior from Zeeman-like frequency splitting to precession of the spin state. By demonstrating that unmeasured spin states can be fully described in classical terms, this research opens the door to using the tools of classical physics to examine an inherently quantum phenomenon.

  3. Kinetic and electron-electron energies for convex sums of ground state densities with degeneracies and fractional electron number

    Energy Technology Data Exchange (ETDEWEB)

    Levy, Mel, E-mail: ayers@mcmaster.ca, E-mail: mlevy@tulane.edu [Department of Chemistry, Duke University, Durham, North Carolina 27708 (United States); Department of Physics, North Carolina A and T State University, Greensboro, North Carolina 27411 (United States); Department of Chemistry, Tulane University, New Orleans, Louisiana 70118 (United States); Anderson, James S. M.; Zadeh, Farnaz Heidar; Ayers, Paul W., E-mail: ayers@mcmaster.ca, E-mail: mlevy@tulane.edu [Department of Chemistry and Chemical Biology, McMaster University, Hamilton, Ontario (Canada)

    2014-05-14

    Properties of exact density functionals provide useful constraints for the development of new approximate functionals. This paper focuses on convex sums of ground-level densities. It is observed that the electronic kinetic energy of a convex sum of degenerate ground-level densities is equal to the convex sum of the kinetic energies of the individual degenerate densities. (The same type of relationship holds also for the electron-electron repulsion energy.) This extends a known property of the Levy-Valone Ensemble Constrained-Search and the Lieb Legendre-Transform refomulations of the Hohenberg-Kohn functional to the individual components of the functional. Moreover, we observe that the kinetic and electron-repulsion results also apply to densities with fractional electron number (even if there are no degeneracies), and we close with an analogous point-wise property involving the external potential. Examples where different degenerate states have different kinetic energy and electron-nuclear attraction energy are given; consequently, individual components of the ground state electronic energy can change abruptly when the molecular geometry changes. These discontinuities are predicted to be ubiquitous at conical intersections, complicating the development of universally applicable density-functional approximations.

  4. Foucault's pendulum, a classical analog for the electron spin state

    Science.gov (United States)

    Linck, Rebecca A.

    Spin has long been regarded as a fundamentally quantum phenomena that is incapable of being described classically. To bridge the gap and show that aspects of spin's quantum nature can be described classically, this work uses a classical Lagrangian based on the coupled oscillations of Foucault's pendulum as an analog for the electron spin state in an external magnetic field. With this analog it is possible to demonstrate that Foucault's pendulum not only serves as a basis for explaining geometric phase, but is also a basis for reproducing a broad range of behavior from Zeeman-like frequency splitting to precession of the spin state. By demonstrating that unmeasured electron spin states can be fully described in classical terms, this research opens the door to using the tools of classical physics to examine an inherently quantum phenomenon.

  5. Organic-​organic interfaces and unoccupied electronic states of thin films of perylene and naphthalene derivatives

    DEFF Research Database (Denmark)

    Kamounah, Fadhil S.; Komolov, A.S; Juul Møller, Preben

    2005-01-01

    ,4,5,8-naphthalenetetracarboxylic dianhydride (NTCDA, Fig. 1c) film surfaces, respectively, in order to form organic–organic interfaces so that molecules constituting the interfacing layers differ by the substituent group. The surface potential and the density of unoccupied electron states (DOUS) located 5–25 eV above the Fermi...

  6. Fermiology and Superconductivity of Topological Surface States in PdTe2

    Science.gov (United States)

    Clark, O. J.; Neat, M. J.; Okawa, K.; Bawden, L.; Marković, I.; Mazzola, F.; Feng, J.; Sunko, V.; Riley, J. M.; Meevasana, W.; Fujii, J.; Vobornik, I.; Kim, T. K.; Hoesch, M.; Sasagawa, T.; Wahl, P.; Bahramy, M. S.; King, P. D. C.

    2018-04-01

    We study the low-energy surface electronic structure of the transition-metal dichalcogenide superconductor PdTe2 by spin- and angle-resolved photoemission, scanning tunneling microscopy, and density-functional theory-based supercell calculations. Comparing PdTe2 with its sister compound PtSe2 , we demonstrate how enhanced interlayer hopping in the Te-based material drives a band inversion within the antibonding p -orbital manifold well above the Fermi level. We show how this mediates spin-polarized topological surface states which form rich multivalley Fermi surfaces with complex spin textures. Scanning tunneling spectroscopy reveals type-II superconductivity at the surface, and moreover shows no evidence for an unconventional component of its superconducting order parameter, despite the presence of topological surface states.

  7. Chemical modulation of electronic structure at the excited state

    Science.gov (United States)

    Li, F.; Song, C.; Gu, Y. D.; Saleem, M. S.; Pan, F.

    2017-12-01

    Spin-polarized electronic structures are the cornerstone of spintronics, and have thus attracted a significant amount of interest; in particular, researchers are looking into how to modulate the electronic structure to enable multifunctional spintronics applications, especially in half-metallic systems. However, the control of the spin polarization has only been predicted in limited two-dimensional systems with spin-polarized Dirac structures and is difficult to achieve experimentally. Here, we report the modulation of the electronic structure in the light-induced excited state in a typical half-metal, L a1 /2S r1 /2Mn O3 -δ . According to the spin-transport measurements, there appears a light-induced increase in magnetoresistance due to the enhanced spin scattering, which is closely associated with the excited spin polarization. Strikingly, the light-induced variation can be enhanced via alcohol processing and reduced by oxygen annealing. X-ray photoelectron spectroscopy measurements show that in the chemical process, a redox reaction occurs with a change in the valence of Mn. Furthermore, first-principles calculations reveal that the change in the valence of Mn alters the electronic structure and consequently modulates the spin polarization in the excited state. Our findings thus report a chemically tunable electronic structure, demonstrating interesting physics and the potential for multifunctional applications and ultrafast spintronics.

  8. One-dimensional electron liquid at a surface. Gold nanowires on Ge(001)

    Energy Technology Data Exchange (ETDEWEB)

    Blumenstein, Christian

    2012-09-11

    Self-organized nanowires at semiconductor surfaces offer the unique opportunity to study electrons in reduced dimensions. Notably the dimensionality of the system determines it's electronic properties, beyond the quasiparticle description. In the quasi-one-dimensional (1D) regime with weak lateral coupling between the chains, a Peierls instability can be realized. A nesting condition in the Fermi surface leads to a backfolding of the 1D electron band and thus to an insulating state. It is accompanied by a charge density wave (CDW) in real space that corresponds to the nesting vector. This effect has been claimed to occur in many surface-defined nanowire systems, such as the In chains on Si(111) or the Au reconstructions on the terraced Si(553) and Si(557) surfaces. Therefore a weak coupling between the nanowires in these systems has to be concluded. However theory proposes another state in the perfect 1D limit, which is completely destroyed upon slight coupling to higher dimensions. In this so-called Tomonaga-Luttinger liquid (TLL) state, the quasiparticle description of the Fermi liquid breaks down. Since the interaction between the electrons is enhanced due to the strong confinement, only collective excitations are allowed. This leads to novel effects like spin charge separation, where spin and charge degrees of freedom are decoupled and allowed to travel independently along the 1D-chain. Such rare state has not been realized at a surface until today. This thesis uses a novel approach to realize nanowires with improved confinement by studying the Au reconstructed Ge(001) surface. A new cleaning procedure using piranha solution is presented, in order to prepare a clean and long-range ordered substrate. To ensure optimal growth of the Au nanowires the phase diagram is extensively studied by scanning tunneling microscopy (STM) and low energy electron diffraction (LEED). The structural elements of the chains are revealed and described in high detail. Remarkably

  9. Influence of surface topography on elastically backscattered electrons

    International Nuclear Information System (INIS)

    Ding, X; Da, B; Gong, J B; Ding, Z J; Mao, S F

    2014-01-01

    A Monte Carlo simulation, taking into account of the detailed surface roughness of a realistic solid sample, has been performed to study the surface topography influence on elastic peak intensity. To describe quantitatively the surface topography effect, here we introduce surface roughness parameter (SRP) according to the ratio of elastic peak intensities between a rough surface and an ideal planar surface. Simulation results for Al sample have shown that SRP varies with surface roughness particularly at large incidence/emission angles

  10. Composite Fermi surface in the half-filled Landau level with anisotropic electron mass

    Science.gov (United States)

    Ippoliti, Matteo; Geraedts, Scott; Bhatt, Ravindra

    We study the problem of interacting electrons in the lowest Landau level at half filling in the quantum Hall regime, when the electron dispersion is given by an anisotropic mass tensor. Based on experimental observations and theoretical arguments, the ground state of the system is expected to consist of composite Fermions filling an elliptical Fermi sea, with the anisotropy of the ellipse determined by the competing effects of the isotropic Coulomb interaction and anisotropic electron mass tensor. We test this idea quantitatively by using a numerical density matrix renormalization group method for quantum Hall systems on an infinitely long cylinder. Singularities in the structure factor allow us to map the Fermi surface of the composite Fermions. We compute the composite Fermi surface anisotropy for several values of the electron mass anisotropy which allow us to deduce the functional dependence of the former on the latter. This research was supported by Department of Energy Office of Basic Energy Sciences through Grant No. DE-SC0002140.

  11. Electronic properties and surface reactivity of SrO-terminated SrTiO3 and SrO-terminated iron-doped SrTiO3.

    Science.gov (United States)

    Staykov, Aleksandar; Tellez, Helena; Druce, John; Wu, Ji; Ishihara, Tatsumi; Kilner, John

    2018-01-01

    Surface reactivity and near-surface electronic properties of SrO-terminated SrTiO 3 and iron doped SrTiO 3 were studied with first principle methods. We have investigated the density of states (DOS) of bulk SrTiO 3 and compared it to DOS of iron-doped SrTiO 3 with different oxidation states of iron corresponding to varying oxygen vacancy content within the bulk material. The obtained bulk DOS was compared to near-surface DOS, i.e. surface states, for both SrO-terminated surface of SrTiO 3 and iron-doped SrTiO 3 . Electron density plots and electron density distribution through the entire slab models were investigated in order to understand the origin of surface electrons that can participate in oxygen reduction reaction. Furthermore, we have compared oxygen reduction reactions at elevated temperatures for SrO surfaces with and without oxygen vacancies. Our calculations demonstrate that the conduction band, which is formed mainly by the d-states of Ti, and Fe-induced states within the band gap of SrTiO 3 , are accessible only on TiO 2 terminated SrTiO 3 surface while the SrO-terminated surface introduces a tunneling barrier for the electrons populating the conductance band. First principle molecular dynamics demonstrated that at elevated temperatures the surface oxygen vacancies are essential for the oxygen reduction reaction.

  12. Studies Of Oxidation And Thermal Reduction Of The Cu(100) Surface Using Positron Annihilation Induced Auger Electron Spectroscopy

    Science.gov (United States)

    Fazleev, N. G.; Nadesalingam, M. P.; Maddox, W.; Weiss, A. H.

    2011-06-01

    Positron annihilation induced Auger electron spectroscopy (PAES) measurements from the surface of an oxidized Cu(100) single crystal show a large increase in the intensity of the annihilation induced Cu M2,3VV Auger peak as the sample is subjected to a series of isochronal anneals in vacuum up to annealing temperature 300 °C. The PAES intensity then decreases monotonically as the annealing temperature is increased to ˜550 °C. Experimental positron annihilation probabilities with Cu 3p and O 1s core electrons are estimated from the measured intensities of the positron annihilation induced Cu M2,3VV and O KLL Auger transitions. PAES results are analyzed by performing calculations of positron surface states and annihilation probabilities of the surface-trapped positrons with relevant core electrons taking into account the charge redistribution at the surface and various surface structures associated with low and high oxygen coverages. The variations in atomic structure and chemical composition of the topmost layers of the oxidized Cu(100) surface are found to affect localization and spatial extent of the positron surface state wave function. The computed positron binding energy and annihilation characteristics reveal their sensitivity to charge transfer effects, atomic structure and chemical composition of the topmost layers of the oxidized Cu(100) surface. Theoretical positron annihilation probabilities with Cu 3p and O 1s core electrons computed for the oxidized Cu(100) surface are compared with experimental ones. The obtained results provide a demonstration of thermal reduction of the copper oxide surface after annealing at 300 °C followed by re-oxidation of the Cu(100) surface at higher annealing temperatures presumably due to diffusion of subsurface oxygen to the surface.

  13. Studies Of Oxidation And Thermal Reduction Of The Cu(100) Surface Using Positron Annihilation Induced Auger Electron Spectroscopy

    International Nuclear Information System (INIS)

    Fazleev, N. G.; Nadesalingam, M. P.; Maddox, W.; Weiss, A. H.

    2011-01-01

    Positron annihilation induced Auger electron spectroscopy (PAES) measurements from the surface of an oxidized Cu(100) single crystal show a large increase in the intensity of the annihilation induced Cu M2,3VV Auger peak as the sample is subjected to a series of isochronal anneals in vacuum up to annealing temperature 300 deg. C. The PAES intensity then decreases monotonically as the annealing temperature is increased to ∼550 deg. C. Experimental positron annihilation probabilities with Cu 3p and O 1s core electrons are estimated from the measured intensities of the positron annihilation induced Cu M 2,3 VV and O KLL Auger transitions. PAES results are analyzed by performing calculations of positron surface states and annihilation probabilities of the surface-trapped positrons with relevant core electrons taking into account the charge redistribution at the surface and various surface structures associated with low and high oxygen coverages. The variations in atomic structure and chemical composition of the topmost layers of the oxidized Cu(100) surface are found to affect localization and spatial extent of the positron surface state wave function. The computed positron binding energy and annihilation characteristics reveal their sensitivity to charge transfer effects, atomic structure and chemical composition of the topmost layers of the oxidized Cu(100) surface. Theoretical positron annihilation probabilities with Cu 3p and O 1s core electrons computed for the oxidized Cu(100) surface are compared with experimental ones. The obtained results provide a demonstration of thermal reduction of the copper oxide surface after annealing at 300 deg. C followed by re-oxidation of the Cu(100) surface at higher annealing temperatures presumably due to diffusion of subsurface oxygen to the surface.

  14. Single-electron states near a current-carrying core

    International Nuclear Information System (INIS)

    Masale, M.

    2004-01-01

    The energy spectrum of an electron confined near a current-carrying core is obtained as a function of the azimuthal applied magnetic field within the effective-mass approximation. The double degeneracy of the non-zero electron's axial wave number (k z ) states is lifted by the current-induced magnetic field while that of the non-zero azimuthal quantum number (m) states is preserved. A further analysis is the evaluations of the oscillator strengths for optical transitions involving the lowest-order pair of the electron's energy subbands within the dipole approximation. The radiation field is taken as that of elliptically polarized light incident along the core axis. In this polarization and within the dipole approximation, the allowed transitions are only those governed by the following specific selection rules. The azimuthal quantum numbers of the initial and final states must differ by unity while the electron's axial wave number is conserved. The azimuthal magnetic field is also found to lift the multiple degeneracies of the k z ≠0 interaction integrals as well as those of the oscillator strengths for optical transitions

  15. Local secondary-electron emission spectra of graphite and gold surfaces obtained using the Scanning Probe Energy Loss Spectrometer (SPELS)

    International Nuclear Information System (INIS)

    Lawton, J J; Pulisciano, A; Palmer, R E

    2009-01-01

    Secondary-electron emission (SEE) spectra have been obtained with the Scanning Probe Energy Loss Spectrometer at a tip-sample distance of only 50 nm. Such short working distances are required for the best theoretical spatial resolution (<10 nm). The SEE spectra of graphite, obtained as a function of tip bias voltage, are shown to correspond to unoccupied states in the electronic band structure. The SEE spectra of thin gold films demonstrate the capability of identifying (carbonaceous) surface contamination with this technique.

  16. Local secondary-electron emission spectra of graphite and gold surfaces obtained using the Scanning Probe Energy Loss Spectrometer (SPELS)

    Energy Technology Data Exchange (ETDEWEB)

    Lawton, J J; Pulisciano, A; Palmer, R E, E-mail: R.E.Palmer@bham.ac.u [Nanoscale Physics Research Laboratory, School of Physics and Astronomy, University of Birmingham, Birmingham B15 2TT (United Kingdom)

    2009-11-25

    Secondary-electron emission (SEE) spectra have been obtained with the Scanning Probe Energy Loss Spectrometer at a tip-sample distance of only 50 nm. Such short working distances are required for the best theoretical spatial resolution (<10 nm). The SEE spectra of graphite, obtained as a function of tip bias voltage, are shown to correspond to unoccupied states in the electronic band structure. The SEE spectra of thin gold films demonstrate the capability of identifying (carbonaceous) surface contamination with this technique.

  17. Ice nucleation on nanotextured surfaces: the influence of surface fraction, pillar height and wetting states.

    Science.gov (United States)

    Metya, Atanu K; Singh, Jayant K; Müller-Plathe, Florian

    2016-09-29

    In this work, we address the nucleation behavior of a supercooled monatomic cylindrical water droplet on nanoscale textured surfaces using molecular dynamics simulations. The ice nucleation rate at 203 K on graphite based textured surfaces with nanoscale roughness is evaluated using the mean fast-passage time method. The simulation results show that the nucleation rate depends on the surface fraction as well as the wetting states. The nucleation rate enhances with increasing surface fraction for water in the Cassie-Baxter state, while contrary behavior is observed for the case of Wenzel state. Based on the spatial histogram distribution of ice formation, we observed two pathways for ice nucleation. Heterogeneous nucleation is observed at a high surface fraction. However, the probability of homogeneous ice nucleation events increases with decreasing surface fraction. We further investigate the role of the nanopillar height in ice nucleation. The nucleation rate is enhanced with increasing nanopillar height. This is attributed to the enhanced contact area with increasing nanopillar height and the shift in nucleation events towards the three-phase contact line associated with the nanotextured surface. The ice-surface work of adhesion for the Wenzel state is found to be 1-2 times higher than that in the Cassie-Baxter state. Furthermore, the work of adhesion of ice in the Wenzel state is found to be linearly dependent on the contour length of the droplet, which is in line with that reported for liquid droplets.

  18. Projectile- and charge-state-dependent electron yields from ion penetration of solids as a probe of preequilibrium stopping power

    DEFF Research Database (Denmark)

    Rothard, H.; Schou, Jørgen; Groeneveld, K.-O.

    1992-01-01

    Kinetic electron-emission yields gamma from swift ion penetration of solids are proportional to the (electronic) stopping power gamma approximately Beta-S*, if the preequilibrium evolution of the charge and excitation states of the positively charged ions is taken into account. We show...... by investigating the "transport factor" beta, the energy spectrum of directly ejected recoil electrons and the evolution of ionic charge state inside solids. Estimates of the energy-loss fraction leading to electron emission and the effective charges of the ions near the surface allow a quantitative description...

  19. Ab initio/interpolated quantum dynamics on coupled electronic states with full configuration interaction wave functions

    International Nuclear Information System (INIS)

    Thompson, K.; Martinez, T.J.

    1999-01-01

    We present a new approach to first-principles molecular dynamics that combines a general and flexible interpolation method with ab initio evaluation of the potential energy surface. This hybrid approach extends significantly the domain of applicability of ab initio molecular dynamics. Use of interpolation significantly reduces the computational effort associated with the dynamics over most of the time scale of interest, while regions where potential energy surfaces are difficult to interpolate, for example near conical intersections, are treated by direct solution of the electronic Schroedinger equation during the dynamics. We demonstrate the concept through application to the nonadiabatic dynamics of collisional electronic quenching of Li(2p). Full configuration interaction is used to describe the wave functions of the ground and excited electronic states. The hybrid approach agrees well with full ab initio multiple spawning dynamics, while being more than an order of magnitude faster. copyright 1999 American Institute of Physics

  20. On stationary states of electron beams in drift space

    International Nuclear Information System (INIS)

    Kovalev, N.F.

    2002-01-01

    The article is devoted to studying the conditions of formation and existence of virtual cathodes. The problem on stationary states of the strongly magnetized electron beams in the homogeneous drift channels is discussed. The problem on the planar and coaxial moduli of the drift spaces is considered. The possibility of existing the virtual cathodes in the coaxial tubular beams by the injection currents, smaller than the threshold ones is highly proved. The inaccuracy of results of a number of works, studying the properties of the virtual cathodes in the strongly magnetized electron beams, is shown [ru

  1. Tritium contaminated surface monitoring with a solid - state device

    International Nuclear Information System (INIS)

    Culcer, Mihai; Iliescu, Mariana; Curuia, Marian; Enache, Adrian; Stefanescu, Ioan; Ducu, Catalin; Malinovschi, Viorel

    2004-01-01

    The low energy of betas makes tritium difficult to detect. However, there are several methods used in tritium detection, such as liquid scintillation and ionization chambers. Tritium on or near a surface can be also detected using proportional counters and, recently, solid state devices. The paper presents our results in the design and achievement of a surface tritium monitor using a PIN photodiode as a solid state charged particle detector to count betas emitted from the surface. That method allows continuous, real-time and non-destructively measuring of tritium. (authors)

  2. Deformation and stability of surface states in Dirac semimetals

    Science.gov (United States)

    Kargarian, Mehdi; Lu, Yuan-Ming; Randeria, Mohit

    2018-04-01

    The unusual surface states of topological semimetals have attracted a lot of attention. Recently, we showed [Proc. Natl. Acad. Sci. USA 113, 8648 (2016), 10.1073/pnas.1524787113] that for a Dirac semimetal (DSM) arising from band inversion, such as Na3Bi and Cd3As2 , the expected double Fermi arcs on the surface are not topologically protected. Quite generally, the arcs deform into states similar to those on the surface of a strong topological insulator. Here we address two questions related to deformation and stability of surface states in DSMs. First, we discuss why certain perturbations, no matter how large, are unable to destroy the double Fermi arcs. We show that this is related to a certain extra (particle-hole) symmetry, which is nongeneric in materials. Second, we discuss situations in which the surface states are completely destroyed without breaking any symmetry or impacting the bulk Dirac nodes. We are not aware of any experimental or density functional theory (DFT) candidates for a material which is a bulk DSM without any surface states, but our results clearly show that this is possible.

  3. Rashba split surface states in BiTeBr

    International Nuclear Information System (INIS)

    Eremeev, S V; Rusinov, I P; Nechaev, I A; Chulkov, E V

    2013-01-01

    Within density functional theory, we study the bulk band structure and surface states of BiTeBr. We consider both ordered and disordered phases, which differ in atomic order in the Te–Br sublattice. On the basis of relativistic ab initio calculations, we show that the ordered BiTeBr is energetically preferable as compared with the disordered one. We demonstrate that both Te- and Br-terminated surfaces of the ordered BiTeBr hold surface states with a giant spin–orbit splitting. The Te-terminated surface-state spin splitting has Rashba-type behavior with the coupling parameter α R ∼ 2 eVÅ. (paper)

  4. Properties and modification of two-dimensional electronic states on noble metals; Eigenschaften und Modifikation zweidimensionaler Elektronenzustaende auf Edelmetallen

    Energy Technology Data Exchange (ETDEWEB)

    Forster, F.

    2007-07-06

    In this thesis investigations on two-dimensional electronic structures of (111)-noble metal surfaces and the influence of various adsorbates upon them is presented. It chiefly focuses on the surface-localized Shockley states of Cu, Ag and Au and their band dispersion (binding energy, band mass, and spin-orbit splitting) which turns out to be a sensitive probe for surface modifications induced by adsorption processes. Angular resolved photoelectron spectroscopy enables the observation of even subtle changes in the electronic band structure of these two dimensional systems. Different mechanisms taking place at surfaces and the substrate/adsorbate interfaces influence the Shockley state in a different manner and will be analyzed using suitable adsorbate model systems. The experimental results are matched with appropriate theoretical models like the phase accumulation model and the nearly-free electron model and - if possible - with ab initio calculations based on density functional theory. This allows for the integration of the results into a stringent overall picture. The influence of sub-monolayer adsorption of Na upon the surface state regarding the significant change in surface work function is determined. A systematic study of the physisorption of noble gases shows the effect of the repulsive adsorbate-substrate interaction upon the electrons of the surface state. A step-by-step coverage of the Cu and Au(111) surfaces by monolayers of Ag creates a gradual change in the surface potential and causes the surface state to become increasingly Ag-like. For N=7 ML thick and layer-by-layer growing Ag films on Au(111), new two-dimensional electronic structures can be observed, which are attributed to the quantum well states of the Ag adsorbate. The question whether they are localized within the Ag-layer or substantially within the substrate is resolved by the investigation of their energetic and spatial evolution with increasing Ag-film thicknesses N. For this, beside the

  5. The effect of van der Waal's gap expansions on the surface electronic structure of layered topological insulators

    International Nuclear Information System (INIS)

    Eremeev, S V; Vergniory, M G; Chulkov, E V; Menshchikova, T V; Shaposhnikov, A A

    2012-01-01

    On the basis of relativistic ab initio calculations, we show that an expansion of van der Waal's (vdW) spacings in layered topological insulators caused by intercalation of deposited atoms, leads to the simultaneous emergence of parabolic and M-shaped two-dimensional electron gas (2DEG) bands as well as Rashba-splitting of the former states. The expansion of vdW spacings and the emergence of the 2DEG states localized in the (sub)surface region are also accompanied by a relocation of the topological surface state to the lower quintuple layers, that can explain the absence of inter-band scattering found experimentally. (paper)

  6. Spin inelastic electron tunneling spectroscopy on local spin adsorbed on surface.

    Science.gov (United States)

    Fransson, J

    2009-06-01

    The recent experimental conductance measurements taken on magnetic impurities on metallic surfaces, using scanning tunneling microscopy technique and suggesting occurrence of inelastic scattering processes, are theoretically addressed. We argue that the observed conductance signatures are caused by transitions between the spin states that have opened due to, for example, exchange coupling between the local spins and the tunneling electrons, and are directly interpretable in terms of inelastic transitions energies. Feasible measurements using spin-polarized scanning tunneling microscopy that would enable new information about the excitation spectrum of the local spins are discussed.

  7. A surface-gated InSb quantum well single electron transistor

    International Nuclear Information System (INIS)

    Orr, J M S; Buckle, P D; Fearn, M; Storey, C J; Buckle, L; Ashley, T

    2007-01-01

    Single electron charging effects in a surface-gated InSb/AlInSb QW structure are reported. This material, due to its large g-factor and light effective mass, offers considerable advantages over more commonly used materials, such as GaAs, for quantum information processing devices. However, differences in material and device technology result in significant processing challenges. Simple Coulomb blockade and quantized confinement models are considered to explain the observation of conductance oscillations in these structures. The charging energy (e 2 /C) is found to be comparable with the energy spectrum for single particle states (ΔE)

  8. Exotic Paired States with Anisotropic Spin-Dependent Fermi Surfaces

    International Nuclear Information System (INIS)

    Feiguin, Adrian E.; Fisher, Matthew P. A.

    2009-01-01

    We propose a model for realizing exotic paired states in cold Fermi gases by using a spin-dependent optical lattice to engineer mismatched Fermi surfaces for each hyperfine species. The BCS phase diagram shows a stable paired superfluid state with coexisting pockets of momentum space with gapless unpaired carriers, similar to the Sarma state in polarized mixtures, but in our case the system is unpolarized. We propose the possible existence of an exotic 'Cooper-pair Bose-metal' phase, which has a gap for single fermion excitations but gapless and uncondensed 'Cooper-pair' excitations residing on a 'Bose surface' in momentum space.

  9. Surface effect on the electronic and the magnetic properties of rock-salt alkaline-earth metal silicides

    International Nuclear Information System (INIS)

    Bialek, Beata; Lee, Jaeil

    2011-01-01

    An all electron ab-initio method was employed to study the electronic and the magnetic properties of the (001) surface of alkaline-earth metal silicides, CaSi, SrSi, and BaSi, in the rock-salt structure. The three compounds retain their ferromagnetic metallic properties at the surface. Due to the surface effects, the magnetism of the topmost layer is changed as compared with the bulk. This is a short-range effect. In CaSi, the magnetism of the surface layer is noticeably reduced, as compared with the bulk: magnetic moments (MMs) on both Ca and Si atoms are reduced. In SrSi (001), the polarization of electrons in the surface atoms is similar to that in the bulk atoms, and the values of MMs on the component atoms in the topmost layer do not change as much as in CaSi. In BaSi (001), the magnetic properties of Si surface atoms are enhanced slightly, and the magnetism of Ba atoms is not affected considerably by the surface effect. The calculated densities of states confirm the short-range effect of the surface on the electronic properties of the metal silicides.

  10. Low-energy electron irradiation induced top-surface nanocrystallization of amorphous carbon film

    Science.gov (United States)

    Chen, Cheng; Fan, Xue; Diao, Dongfeng

    2016-10-01

    We report a low-energy electron irradiation method to nanocrystallize the top-surface of amorphous carbon film in electron cyclotron resonance plasma system. The nanostructure evolution of the carbon film as a function of electron irradiation density and time was examined by transmission electron microscope (TEM) and Raman spectroscopy. The results showed that the electron irradiation gave rise to the formation of sp2 nanocrystallites in the film top-surface within 4 nm thickness. The formation of sp2 nanocrystallite was ascribed to the inelastic electron scattering in the top-surface of carbon film. The frictional property of low-energy electron irradiated film was measured by a pin-on-disk tribometer. The sp2 nanocrystallized top-surface induced a lower friction coefficient than that of the original pure amorphous film. This method enables a convenient nanocrystallization of amorphous surface.

  11. Electron states and electron Raman scattering in semiconductor double cylindrical quantum well wire

    International Nuclear Information System (INIS)

    Munguía-Rodríguez, M; Riera, R; Betancourt-Riera, Ri; Betancourt-Riera, Re; Nieto Jalil, J M

    2016-01-01

    The differential cross section for an electron Raman scattering process in a semiconductor GaAs/AlGaAs double quantum well wire is calculated, and expressions for the electronic states are presented. The system is modeled by considering T = 0 K and also with a single parabolic conduction band, which is split into a subband system due to the confinement. The gain and differential cross-section for an electron Raman scattering process are obtained. In addition, the emission spectra for several scattering configurations are discussed, and interpretations of the singularities found in the spectra are given. The electron Raman scattering studied here can be used to provide direct information about the efficiency of the lasers. (paper)

  12. Positron probes of the Ge(1 0 0) surface: The effects of surface reconstructions and electron-positron correlations on positron trapping and annihilation characteristics

    International Nuclear Information System (INIS)

    Fazleev, N.G.; Jung, E.; Weiss, A.H.

    2007-01-01

    Positron annihilation induced Auger electron spectroscopy (PAES) has been applied to study the Ge(1 0 0) surface. The high-resolution PAES spectrum from the Ge(1 0 0) surface displays several strong Auger peaks corresponding to M 4,5 N 1 N 2,3 , M 2,3 M 4,5 M 4,5 , M 2,3 M 4,5 V and M 1 M 4,5 M 4,5 Auger transitions. The integrated peak intensities of Auger transitions are used to obtain experimental annihilation probabilities for the Ge 3d and 3p core level electrons. These experimental results are analyzed by performing calculations of positron surface states and annihilation characteristics of surface trapped positrons with relevant Ge core-level electrons for the non-reconstructed and reconstructed Ge(1 0 0)-p(2 x 1), Ge(1 0 0)-p(2 x 2) and Ge(1 0 0)-c(4 x 2) surfaces. It is found that the positron surface state wave function extends into the Ge lattice in the regions where atoms are displaced from their ideal terminated positions due to reconstructions. Estimates of the positron binding energy and the positron annihilation characteristics reveal their sensitivity to the specific atomic structure of the topmost layers of Ge(1 0 0). A comparison with PAES data reveals an agreement with theoretical core annihilation probabilities for the Auger transitions considered

  13. Solid state effects on the electronic structure of H2OEP.

    Science.gov (United States)

    Marsili, M; Umari, P; Di Santo, G; Caputo, M; Panighel, M; Goldoni, A; Kumar, M; Pedio, M

    2014-12-28

    We present the results of a joint experimental and theoretical investigation concerning the effect of crystal packing on the electronic properties of the H2OEP molecule. Thin films, deposited in ultra high vacuum on metal surfaces, are investigated by combining valence band photoemission, inverse photoemission, and X-ray absorption spectroscopy. The spectra of the films are compared, when possible, with those measured in the gas phase. Once many-body effects are included in the calculations through the GW method, the electronic structure of H2OEP in the film and gas phase are accurately reproduced for both valence and conduction states. Upon going from an isolated molecule to the film phase, the electronic gap shrinks significantly and the lowest unoccupied molecular orbital (LUMO) and LUMO + 1 degeneracy is removed. The calculations show that the reduction of the transport gap in the film is entirely addressable to the enhancement of the electronic screening.

  14. Electronic money in russia: current state and problems of development

    Directory of Open Access Journals (Sweden)

    T. G. Bondarenko

    2016-01-01

    Full Text Available Article is devoted to urgent problems of non-cash methods of calculation development by using electronic money – as one of the modern economically developed state strategic tasks. On modern economic science strong influence appears informatization process. The control expansion tendency, influence and distribution of commerce due to informatization of society led to emergence of the new phenomenon – information economy. Information economy brought new economic events which owing to their novelty are insufficiently studied to life. It is possible to carry electronic money to such phenomena of modern network economy Relevance and, in our opinion, timeliness of this scientific work, consisting in novelty of this non-cash payment method, its prospects and innovation within non-cash methods of calculations. Authors set as the purpose – studying of problems and the prospects of development of electronic money in the Russian Federation. In article theoretical bases of electronic money functioning are described. Determinations and classifications dismissed non-cash a method, and also the principles of electronic money functioning are considered, the questions of their historical development are raised.Authors analyzed statistical data on development of electronic services and channels of their using. Features, benefits and shortcomings of the current state of the market of electronic money are studied. The emphasis on that fact that in modern conditions considerable number of economic actors perform the activities, both in the real environment of economy, and within the virtual environment that promotes expansion of methods of their customer interaction by means of technical devices of personal computers, mobile phones is placed. In article common problems and tendencies of payments with using an electronic money are designated, the research on assessment of the current state and the prospects of electronic money

  15. Electronic and ground state properties of ThTe

    Energy Technology Data Exchange (ETDEWEB)

    Bhardwaj, Purvee, E-mail: purveebhardwaj@gmail.com; Singh, Sadhna, E-mail: drsadhna100@gmail.com [High Pressure Research Lab. Department of Physics Barkatullah University, Bhopal (MP) 462026 (India)

    2016-05-06

    The electronic properties of ThTe in cesium chloride (CsCl, B2) structure are investigated in the present paper. To study the ground state properties of thorium chalcogenide, the first principle calculations have been calculated. The bulk properties, including lattice constant, bulk modulus and its pressure derivative are obtained. The calculated equilibrium structural parameters are in good agreement with the available experimental and theoretical results.

  16. Electron mobility on the surface of liquid Helium: influence of surface level atoms and depopulation of lowest subbands

    International Nuclear Information System (INIS)

    Grigoriev, P. D.; Dyugaev, A. M.; Lebedeva, E. V.

    2008-01-01

    The temperature dependence of electron mobility is examined. We calculate the contribution to the electron scattering rate from the surface level atoms (SLAs), proposed in [10]. This contribution is substantial at low temperatures T < 0.5, when the He vapor concentration is exponentially small. We also study the effect of depopulation of the lowest energy subband, which leads to an increase in the electron mobility at high temperature. The results explain certain long-standing discrepancies between the existing theory and experiment on electron mobility on the surface of liquid helium

  17. Optimized surface-slab excited-state muffin-tin potential and surface core level shifts

    International Nuclear Information System (INIS)

    Rundgren, J.

    2003-01-01

    An optimized muffin-tin (MT) potential for surface slabs with preassigned surface core-level shifts (SCLS's) is presented. By using the MT radii as adjustable parameters the model is able to conserve the definition of the SCLS with respect to the bulk and concurrently to generate a potential that is continuous at the MT radii. The model is conceived for elastic electron scattering in a surface slab with exchange-correlation interaction described by the local density approximation. The model employs two data bases for the self-energy of the signal electron (after Hedin and Lundqvist or Sernelius). The potential model is discussed in detail with two surface structures Be(101-bar0), for which SCLS's are available, and Cu(111)p(2x2)Cs, in which the close-packed radii of the atoms are extremely different. It is considered plausible that tensor LEED based on an optimized MT potential can be used for determining SCLS's

  18. The Rashba-split surface state of Sb{sub 2}Te{sub 3}(0 0 0 1) and its interaction with bulk states

    Energy Technology Data Exchange (ETDEWEB)

    Seibel, Christoph; Maaß, Henriette [Experimentelle Physik VII and Röntgen Research Center for Complex Materials (RCCM), Universität Würzburg, Am Hubland, D-97074 Würzburg (Germany); Bentmann, Hendrik, E-mail: Hendrik.Bentmann@physik.uni-wuerzburg.de [Experimentelle Physik VII and Röntgen Research Center for Complex Materials (RCCM), Universität Würzburg, Am Hubland, D-97074 Würzburg (Germany); Braun, Jürgen [Department Chemie, Physikalische Chemie, Universität München, Butenandtstrasse 5-13, D-81377 München (Germany); Sakamoto, Kazuyuki [Department of Nanomaterials Science, Chiba University, Chiba 263-8522 (Japan); Arita, Masashi; Shimada, Kenya [Hiroshima Synchrotron Radiation Center, Hiroshima University, Kagamiyama 2-313, Higashi-Hiroshima 739-0046 (Japan); Minár, Jan [Department Chemie, Physikalische Chemie, Universität München, Butenandtstrasse 5-13, D-81377 München (Germany); New Technologies – Research Center, University of West Bohemia, Univerzitni 8, 306 14 Pilsen (Czech Republic); Ebert, Hubert [Department Chemie, Physikalische Chemie, Universität München, Butenandtstrasse 5-13, D-81377 München (Germany); and others

    2015-05-15

    Highlights: • We investigate a spin–orbit split surface state on the Sb{sub 2}Te{sub 3}(0 0 0 1) surface. • The spin-splitting and dispersion follow the Rashba model at small wave vectors. • At higher wave vectors the spin-splitting shows an unsual non-monotonic evolution. • The spin-polarized surface bands connect with different bulk bands at the gap edge. - Abstract: The electronic structure of the Sb{sub 2}Te{sub 3}(0 0 0 1) surface exhibits a spin–orbit split surface state in a local energy gap of the projected bulk valence band continuum. We investigate this surface state by high-resolution angle-resolved photoemission spectroscopy (ARPES), spin-resolved ARPES and relativistic one-step photoemission calculations. At low wave vectors the dispersion and spin splitting are well-captured by the predictions of the Rashba model for a two-dimensional electron system. With increasing wave vectors, however, the surface state dispersion becomes more complex and the spin splitting size exhibits an unusual non-monotonic evolution. These deviations from the Rashba model arise from the influence of bulk continuum states near the edge of the projected gap. The spin polarization of the surface state remains intact despite the coupling to bulk states.

  19. Electron structure of amorphous semi-conductor states

    International Nuclear Information System (INIS)

    Wiid, D.H.; Lemmer, R.H.

    1975-01-01

    The electrical properties of amorphous materials are determined by their electron states. Since the electrons are much lighter than the massive ions, the energy levels of the electrons are extremely sensitive to changes in the states of the ions, e.g. a change in their positions. A method has been developed to approximate the positional disorder inthe crystal by a compositional disorder, i.e. the substitution, in a pure crystal, of ions by impurities. The advantage of this lies in the retention of the periodicity of the lattice. This model is linked with an investigation at present under way, in which the mobility, electrical resistance, etc. of a silicon crystal is determined as a function of its amorphous state. It is for instance possible to control the degree of disorder in the crystal, and the problem is to characterise the disorder by a specific parameter. For theoretical calculations such a parameter is essential and it is therefore also the biggest shortcoming in all the theories that, as far as is known, have been developed. It is possible to set up a general phenomenological theory for, for example, electrical resistance, but in view of its complex nature only rough approximations can be made [af

  20. Engineering electronic states of periodic and quasiperiodic chains by buckling

    Science.gov (United States)

    Mukherjee, Amrita; Nandy, Atanu; Chakrabarti, Arunava

    2017-07-01

    The spectrum of spinless, non-interacting electrons on a linear chain that is buckled in a non-uniform, quasiperiodic manner is investigated within a tight binding formalism. We have addressed two specific cases, viz., a perfectly periodic chain wrinkled in a quasiperiodic Fibonacci pattern, and a quasiperiodic Fibonacci chain, where the buckling also takes place in a Fibonacci pattern. The buckling brings distant neighbors in the parent chain to close proximity, which is simulated by a tunnel hopping amplitude. It is seen that, in the perfectly ordered case, increasing the strength of the tunnel hopping (that is, bending the segments more) absolutely continuous density of states is retained towards the edges of the band, while the central portion becomes fragmented and host subbands of narrowing widths containing extended, current carrying states, and multiple isolated bound states formed as a result of the bending. A switching ;on; and ;off; of the electronic transmission can thus be engineered by buckling. On the other hand, in the second example of a quasiperiodic Fibonacci chain, imparting a quasiperiodic buckling is found to generate continuous subband(s) destroying the usual multifractality of the energy spectrum. We present exact results based on a real space renormalization group analysis, that is corroborated by explicit calculation of the two terminal electronic transport.

  1. Entanglement between electronic states in silicene and photons

    Energy Technology Data Exchange (ETDEWEB)

    Rastgoo, S. [Physics Department, College of Sciences, Shiraz University, Shiraz 71454 (Iran, Islamic Republic of); Shirkani, H. [Physics Department, Persian Gulf University, Bushehr 75169 (Iran, Islamic Republic of); Golshan, M.M., E-mail: golshan@susc.ac.ir [Physics Department, College of Sciences, Shiraz University, Shiraz 71454 (Iran, Islamic Republic of)

    2015-06-12

    Temporal behavior of entanglement between electrons in silicene and single mode radiations is reported. We show that the corresponding total Hamiltonian and time evolution operators are block diagonal. Initial states are divided into two categories for which buckling and the intrinsic spin–orbit effects are either of opposite or the same signs. Negativity shows that π-electrons and photons periodically become entangled for both categories. The entanglement spontaneously shows abrupt variations when buckling and the spin–orbit effects are equal but opposite in sign, leading to quantum phase transitions. As photonic excitations increase, the entanglement exhibits plateaus of constant durations for such initial states. - Highlights: • Time evolution of entanglement between π-electrons and photons in silicene is reported. • Intrinsic spin–orbit coupling (ISOC) and buckling effect (BE) are taken into account. • Initial states with ISOC and BE of opposite signs show quantum phase transitions. • Quantum phase transitions spontaneously occur when ISOC is equal to BE. • Periodic plateaus of maximal entanglement are observed for high photonic excitations.

  2. Scanning tunnelling microscope imaging of nanoscale electron density gradients on the surface of GaAs

    International Nuclear Information System (INIS)

    Hamilton, B; Jacobs, J; Missous, M

    2003-01-01

    This paper is concerned with the scanning tunnelling microscope tunnelling conditions needed to produce constant current images dominated either by surface topology or by electronic effects. A model experimental structure was produced by cleaving a GaAs multiδ-doped layer in UHV and so projecting a spatially varying electron gas density onto the (110) surface. This cross sectional electron density varies on a nanometre scale in the [100] growth direction. The electronic structure and tunnelling properties of this system were modelled, and the tunnelling conditions favouring sensitivity to the surface electron gas density determined

  3. Extracellular Electron Uptake: Among Autotrophs and Mediated by Surfaces

    DEFF Research Database (Denmark)

    Tremblay, Pier-Luc; Angenent, Largus T.; Zhang, Tian

    2017-01-01

    Autotrophic microbes can acquire electrons from solid donors such as steel, other microbial cells, or electrodes. Based on this feature, bioprocesses are being developed for the microbial electrosynthesis (MES) of useful products from the greenhouse gas CO2. Extracellular electron-transfer mechan......Autotrophic microbes can acquire electrons from solid donors such as steel, other microbial cells, or electrodes. Based on this feature, bioprocesses are being developed for the microbial electrosynthesis (MES) of useful products from the greenhouse gas CO2. Extracellular electron......; or (iii) mediator-generating enzymes detached from cells. This review explores the interactions of autotrophs with solid electron donors and their importance in nature and for biosustainable technologies....

  4. Two-Dimensional Free Energy Surfaces for Electron Transfer Reactions in Solution

    Directory of Open Access Journals (Sweden)

    Shigeo Murata

    2008-01-01

    Full Text Available Change in intermolecular distance between electron donor (D and acceptor (A can induce intermolecular electron transfer (ET even in nonpolar solvent, where solvent orientational polarization is absent. This was shown by making simple calculations of the energies of the initial and final states of ET. In the case of polar solvent, the free energies are functions of both D-A distance and solvent orientational polarization. On the basis of 2-dimensional free energy surfaces, the relation of Marcus ET and exciplex formation is discussed. The transient effect in fluorescence quenching was measured for several D-A pairs in a nonpolar solvent. The results were analyzed by assuming a distance dependence of the ET rate that is consistent with the above model.

  5. Studies of surface states in zinc oxide nanopowders

    Science.gov (United States)

    Peters, Raul Mugabe

    The surface of ZnO semiconductor nanosystems is a key performance-defining factor in numerous applications. In this work we present experimental results for the surface defect-related properties of ZnO nanoscale systems. Surface photovoltage spectroscopy was used to determine the defect level energies within the band gap, the conduction vs. valence band nature of the defect-related transitions, and to probe key dynamic parameters of the surface on a number of commercially available ZnO nanopowders. In our experimental setup, surface photovoltage characterization is conducted in high vacuum in tandem with in situ oxygen remote plasma treatments. Surface photovoltage investigations of the as-received and plasma-processed samples revealed a number of common spectral features related to surface states. Furthermore, we observed significant plasma-induced changes in the surface defect properties. Ex situ positron annihilation and photoluminescence measurements were performed on the studied samples and correlated with surface photovoltage results. The average positron lifetimes were found to be substantially longer than in a bulk single crystalline sample, which is consistent with the model of grains with defect-rich surface and subsurface layers. Compression of the powders into pellets yielded reduction of the average positron lifetimes. Surface photovoltage, positron annihilation, and photoluminescence spectra consistently showed sample-to-sample differences due to the variation in the overall quality of the nanopowders, which partially obscures observation of the scaling effects. However, the results demonstrated that our approach is efficient in detecting specific surface states in nanoscale ZnO specimens and in elucidating their nature.

  6. Induced Rashba splitting of electronic states in monolayers of Au, Cu on a W(110) substrate

    International Nuclear Information System (INIS)

    Shikin, A M; Rybkina, A A; Rybkin, A G; Marchenko, D; Korshunov, A S; Kudasov, Yu B; Frolova, N V; Sánchez-Barriga, J; Varykhalov, A; Rader, O

    2013-01-01

    The paper sums up a theoretical and experimental investigation of the influence of the spin–orbit coupling in W(110) on the spin structure of electronic states in deposited Au and Cu monolayers. Angle-resolved photoemission spectroscopy reveals that in the case of monolayers of Au and Cu spin–orbit split bands are formed in a surface-projected gap of W(110). Spin resolution shows that these states are spin polarized and that, therefore, the spin–orbit splitting is of Rashba type. The states evolve from hybridization of W 5d, 6p-derived states with the s, p states of the deposited metal. Interaction with Au and Cu shifts the original W 5d-derived states from the edges toward the center of the surface-projected gap. The size of the spin–orbit splitting of the formed states does not correlate with the atomic number of the deposited metal and is even higher for Cu than for Au. These states can be described as W-derived surface resonances modified by hybridization with the p, d states of the adsorbed metal. Our electronic structure calculations performed in the framework of the density functional theory correlate well with the experiment and demonstrate the crucial role of the W top layer for the spin–orbit splitting. It is shown that the contributions of the spin–orbit interaction from W and Au act in opposite directions which leads to a decrease of the resulting spin–orbit splitting in the Au monolayer on W(110). For the Cu monolayer with lower spin–orbit interaction the resulting spin splitting is higher and mainly determined by the W. (paper)

  7. Electronic Structure of Hydrogenated and Surface-Modified GaAs Nanocrystals: Ab Initio Calculations

    Directory of Open Access Journals (Sweden)

    Hamsa Naji Nasir

    2012-01-01

    Full Text Available Two methods are used to simulate electronic structure of gallium arsenide nanocrystals. The cluster full geometrical optimization procedure which is suitable for small nanocrystals and large unit cell that simulates specific parts of larger nanocrystals preferably core part as in the present work. Because of symmetry consideration, large unit cells can reach sizes that are beyond the capabilities of first method. The two methods use ab initio Hartree-Fock and density functional theory, respectively. The results show that both energy gap and lattice constant decrease in their value as the nanocrystals grow in size. The inclusion of surface part in the first method makes valence band width wider than in large unit cell method that simulates the core part only. This is attributed to the broken symmetry and surface passivating atoms that split surface degenerate states and adds new levels inside and around the valence band. Bond length and tetrahedral angle result from full geometrical optimization indicate good convergence to the ideal zincblende structure at the centre of hydrogenated nanocrystal. This convergence supports large unit cell methodology. Existence of oxygen atoms at nanocrystal surface melts down density of states and reduces energy gap.

  8. State-to-state quantum dynamics of the F + HCl (vi = 0, ji = 0) → HF(vf, jf) + Cl reaction on the ground state potential energy surface.

    Science.gov (United States)

    Li, Anyang; Guo, Hua; Sun, Zhigang; Kłos, Jacek; Alexander, Millard H

    2013-10-07

    The state-to-state reaction dynamics of the title reaction is investigated on the ground electronic state potential energy surface using two quantum dynamical methods. The results obtained using the Chebyshev real wave packet method are in excellent agreement with those obtained using the time-independent method, except at low translational energies. It is shown that this exothermic hydrogen abstraction reaction is direct, resulting in a strong back-scattered bias in the product angular distribution. The HF product is highly excited internally. Agreement with available experimental data is only qualitative. We discuss several possible causes of disagreement with experiment.

  9. Electron-electron bound states in Maxwell-Chern-Simons-Proca QED3

    International Nuclear Information System (INIS)

    Belich, H.; Helayel-Neto, J.A.; Ferreira, M.M. Jr.; Maranhao Univ., Sao Luis, MA

    2002-10-01

    We start from a parity-breaking MCS QED 3 model with spontaneous breaking of the gauge symmetry as a framework for evaluation of the electron-electron interaction potential and for attainment of numerical values for the e - e - - bound state. Three expressions V eff↓↓ , V eff↓↑ , V eff↓↓ ) are obtained according to the polarization state of the scattered electrons. In an energy scale compatible with condensed matter electronic excitations, these potentials become degenerated. The resulting potential is implemented in the Schroedinger equation and the variational method is applied to carry out the electronic binding energy. The resulting binding energies in the scale of 10-100 meV and a correlation length in the scale of 10 - 30 Angstrom are possible indications that the MCS-QED 3 model adopted may be suitable to address an eventual case of e - e - pairing in the presence of parity-symmetry breakdown. The data analyzed here suggest an energy scale of 10-100 meV to fix the breaking of the U(1)-symmetry. (author)

  10. Integral elastic, electronic-state, ionization, and total cross sections for electron scattering with furfural

    Science.gov (United States)

    Jones, D. B.; da Costa, R. F.; Varella, M. T. do N.; Bettega, M. H. F.; Lima, M. A. P.; Blanco, F.; García, G.; Brunger, M. J.

    2016-04-01

    We report absolute experimental integral cross sections (ICSs) for electron impact excitation of bands of electronic-states in furfural, for incident electron energies in the range 20-250 eV. Wherever possible, those results are compared to corresponding excitation cross sections in the structurally similar species furan, as previously reported by da Costa et al. [Phys. Rev. A 85, 062706 (2012)] and Regeta and Allan [Phys. Rev. A 91, 012707 (2015)]. Generally, very good agreement is found. In addition, ICSs calculated with our independent atom model (IAM) with screening corrected additivity rule (SCAR) formalism, extended to account for interference (I) terms that arise due to the multi-centre nature of the scattering problem, are also reported. The sum of those ICSs gives the IAM-SCAR+I total cross section for electron-furfural scattering. Where possible, those calculated IAM-SCAR+I ICS results are compared against corresponding results from the present measurements with an acceptable level of accord being obtained. Similarly, but only for the band I and band II excited electronic states, we also present results from our Schwinger multichannel method with pseudopotentials calculations. Those results are found to be in good qualitative accord with the present experimental ICSs. Finally, with a view to assembling a complete cross section data base for furfural, some binary-encounter-Bethe-level total ionization cross sections for this collision system are presented.

  11. Electron-electron bound states in Maxwell-Chern-Simons-Proca QED{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Belich, H.; Helayel-Neto, J.A. [Grupo de Fisica Teorica Jose Leite Lopes, Petropolis, RJ (Brazil)]|[Centro Brasileiro de Pesquisas Fisicas (CBPF), Rio de Janeiro, RJ (Brazil). Coordenacao de Teoria de Campos e Particulas]. E-mail: belich@cbpf.br; helayel@gft.ucp.br; Del Cima, O.M. [Grupo de Fisica Teorica Jose Leite Lopes, Petropolis, RJ (Brazil)]. E-mail: delcima@gft.ucp.br; Ferreira, M.M. Jr. [Grupo de Fisica Teorica Jose Leite Lopes, Petropolis, RJ (Brazil)]|[Maranhao Univ., Sao Luis, MA (Brazil). Dept. de Fisica]. E-mail: manojr@cbpf.br

    2002-10-01

    We start from a parity-breaking MCS QED{sub 3} model with spontaneous breaking of the gauge symmetry as a framework for evaluation of the electron-electron interaction potential and for attainment of numerical values for the e{sup -}e{sup -} - bound state. Three expressions (V{sub eff{down_arrow}}{sub {down_arrow}}, V{sub eff{down_arrow}}{sub {up_arrow}}, V{sub eff{down_arrow}}{sub {down_arrow}}) are obtained according to the polarization state of the scattered electrons. In an energy scale compatible with condensed matter electronic excitations, these potentials become degenerated. The resulting potential is implemented in the Schroedinger equation and the variational method is applied to carry out the electronic binding energy. The resulting binding energies in the scale of 10-100 meV and a correlation length in the scale of 10 - 30 Angstrom are possible indications that the MCS-QED{sub 3} model adopted may be suitable to address an eventual case of e{sup -}e{sup -} pairing in the presence of parity-symmetry breakdown. The data analyzed here suggest an energy scale of 10-100 meV to fix the breaking of the U(1)-symmetry. (author)

  12. Surface engineered two-dimensional and quasi-one-dimensional nanomaterials for electronic and optoelectronic devices

    Science.gov (United States)

    Du, Xiang

    As the sizes of individual components in electronic and optoelectronic devices approach nano scale, the performance of the devices is often determined by surface properties due to their large surface-to-volume ratio. Surface phenomena have become one of the cornerstones in nanoelectronic industry. For this reason, research on the surface functionalization has been tremendous amount of growth over the past decades, and promises to be an increasingly important field in the future. Surface functionalization, as an effective technique to modify the surface properties of a material through a physical or chemical approach, exhibits great potential to solve the problems and challenges, and modulate the performance of nanomaterials based functional devices. Surface functionalization drives the developments and applications of modern electronic and optoelectronic devices fabricated by nanomaterials. In this thesis, I demonstrate two surface functionalization approaches, namely, surface transfer doping and H2 annealing, to effectively solve the problems and significantly enhance the performance of 2D (single structure black phosphorus (BP) and heterostructure graphene/Si Schottky junction), and quasi-1D (molybdenum trioxide (MoO 3) nanobelt) nanomaterials based functional devices, respectively. In situ photoelectron spectroscopy (PES) measurements were also carried out to explore the interfacial charge transfer occurring at the interface between the nanostructures and doping layers, and the gap states in MoO 3 thin films, which provides the underlying mechanism to understand and support our device measurement results. In the first part of this thesis, I will discuss the first surface functionalization approach, namely, surface transfer doping, to effectively modulate the ambipolar characteristics of 2D few-layer BP flakes based FETs. The ambipolar characteristics of BP transistors were effectively modulated through in situ surface functionalization with cesium carbonate (Cs2

  13. The electronic density of states of disordered compounds

    International Nuclear Information System (INIS)

    Geertsma, W.; Dijkstra, J.

    1984-11-01

    Recently, the electronic properties of liquid alkali (Li, Na, K, Rb, Cs)-group IV (Si, Ge, Sn, Pb) alloys have been discussed by the present authors using a tight-binding model. Only anion orbitals (= group IV) are taken into account. Disorder is described by a pseudo lattice, which takes into account local coordination in one of the sublattices (cation or anion) only. In the first part of this paper it is shown that this approximation is consistent with the usual valence rules used by structural chemists for crystalline structures. In the second part of the paper the solutions for the density of states of the tight-binding Hamiltonian are studied for a number of pseudolattices. The infinite set of Green function equations is solved by using the effective transfer method, which replaces the famous Block condition. It is shown that such a model can explain the formation of bandgaps in disordered systems. By choosing the proper smallest cluster(s) of transfer loops to model the real structure by a pseudolattice, a density of states is obtained which represents properly that of the corresponding crystalline structure. Structures reminiscent to those caused by van Hove singularities already appear in the electronic density of states when relatively small cluster(s) of transfer loops are used. The approach outlined in this paper is capable of describing the electronic density of states due to various degrees of local order in a sublattice. Some of the peculiarities occurring in the solution of the density of states of certain pseudolattices, such as poles outside the band, are discussed in an appendix. (author)

  14. Local equivalence, surface-code states, and matroids

    International Nuclear Information System (INIS)

    Sarvepalli, Pradeep; Raussendorf, Robert

    2010-01-01

    Recently, Ji et al. disproved the local-unitary-local Clifford (LU-LC) conjecture and showed that the local unitary (LU) and local Clifford (LC) equivalence classes of the stabilizer states are not always the same. Despite the fact that this settles the LU-LC conjecture, a sufficient condition for stabilizer states that violate the LU-LC conjecture is not known. In this paper, we investigate further the properties of stabilizer states with respect to local equivalence. Our first result shows that there exist infinitely many stabilizer states that violate the LU-LC conjecture. In particular, we show that for all numbers of qubits n≥28, there exist distance-two stabilizer states which are counterexamples to the LU-LC conjecture. We prove that, for all odd n≥195, there exist stabilizer states with distance greater than two that are LU equivalent but not LC equivalent. Two important classes of stabilizer states that are of great interest in quantum computation are the cluster states and stabilizer states of the surface codes. We show that, under some minimal restrictions, both these classes of states preclude any counterexamples. In this context, we also show that the associated surface codes do not have any encoded non-Clifford transversal gates. We characterize the Calderbank-Shor-Steane (CSS) surface-code states in terms of a class of minor closed binary matroids. In addition to making a connection to an important open problem in binary matroid theory, this characterization does in some cases provide an efficient test for CSS states that are not counterexamples.

  15. Electron beam processed plasticized epoxy coatings for surface protection

    International Nuclear Information System (INIS)

    Ibrahim, Mervat S.; Mohamed, Heba A.; Kandile, Nadia G.; Said, Hossam M.; Mohamed, Issa M.

    2011-01-01

    Highlights: · Coating formulations with EA 70%, HD 20%, and castor oil 10% under 1 Mrad pass -1 irradiation dose showed the best adhesion and passed bending tests. · The prepared EP-SF-An adduct improve anti-corrosion properties of coatings without any significant effect on physical, mechanical and chemical properties of the cured film. The optimum amount of aniline adduct as corrosion inhibitor was found to be 0.4 g for 100 g of coating formulation. · The corrosion inhibition efficiency of the prepared adduct competed the commercial efficiency. - Abstract: Epoxy acrylate oligomer (EA) was plasticized by adding different plasticizers such as epoxidized soybean oil, glycerol and castor oil and cured by electron beam (EB). Different irradiation doses (1, 2.5 and 5 Mrad pass -1 ) were used in the curing process. The effect of both different irradiation doses and plasticizers on the end use performance properties of epoxy acrylate coating namely, pencil hardness, bending test, adhesion test, acid and alkali resistance test were studied. It was observed that incorporation of castor oil in epoxy acrylate diluted by 1,6-hexanediol diacrylate (HD) monomer with a ratio (EA 70%, HD 20%, castor oil 10%) under 1 Mrad pass -1 irradiation dose improved the physical, chemical and mechanical properties of cured films than the other plasticizer. Sunflower free fatty acid was epoxidized in situ under well established conditions. The epoxidized sunflower free fatty acids (ESFA) were subjected to react with aniline in sealed ampoules under inert atmosphere at 140 deg. C. The produced adducts were added at different concentrations to epoxy acrylate coatings under certain EB irradiation dose and then evaluated as corrosion inhibitors for carbon steel surfaces in terms of weight loss measurements and corrosion resistance tests. It was found that, addition of 0.4 g of aniline adduct to 100 g epoxy acrylate formula may give the best corrosion protection for carbon steel and compete the

  16. Image-potential states on the metallic (111) surface of bismuth

    International Nuclear Information System (INIS)

    Muntwiler, Matthias; Zhu, X-Y

    2008-01-01

    An extended series (up to n=6, in quantum beats) of image-potential states (IPS) is observed in time-resolved two-photon photoelectron (TR-2PPE) spectroscopy of the Bi(111) surface. Although mainly located in the vacuum, these states probe various properties of the electronic structure of the surface as reflected in their energetics and dynamics. Based on the observation of IPS a projected gap in the surface normal direction is inferred in the region from 3.57 to 4.27 eV above the Fermi level. Despite this band gap, the lifetimes of the IPS are shorter than on comparable metals, which is an indication of the metallic character of the Bi(111) surface.

  17. The law of corresponding states and surface tension of metals

    International Nuclear Information System (INIS)

    Digilov, R.

    2001-01-01

    Full Text: Surface tension of liquid metals is one of fundamental and most important quantities in theory and practice of material processing and its temperature dependence leads to the well-known Marangoni convection. Although currently methods are sufficiently precise to measure the surface tension, there are uncertainties in experimental data and its temperature dependence mainly due to impurity, which even a trace of it strongly affects the results of measurements. The theoretical treatment from the first principles is unwieldy and not always permits one to calculate the surface tension with certainty. Another active research field deals with empirical correlation between the surface tension and bulk thermodynamic properties, which we interpret as a simple consequence of the law of corresponding states. In order to relate the surface tension and to bulk properties of liquid metals the reduced formula is derived by scaling with the melting point T m (0) at p = 0 and atomic volume Ω 0 2/3 at T = 0 K as macroscopic parameters for scaling ε and a characterizing the interatomic potential in metals. The reduced surface tension and the reduced surface entropy obtained in high temperature limit are discussed and compared with the experiment. The reduced temperature coefficient of the surface tension found is a universal constant for the metals of the same structure. It is shown that pressure dependence of the surface tension, so called baric coefficient of the surface tension, can be described by pressure dependence of scaling parameters T m (p) and Ω 0 (p). (author)

  18. Electron-electron bound states in parity-preserving QED3

    International Nuclear Information System (INIS)

    Belich, H.; Helayel-Neto, J.A.; Centro Brasileiro de Pesquisas Fisicas; Cima, O.M. del; Ferreira Junior, M.M.; Maranhao Univ., Sao Luis, MA

    2002-04-01

    By considering the Higgs mechanism in the framework of a parity-preserving Planar Quantum Electrodynamics, one shows that an attractive electron-electron interaction may dominate. The e - e - interaction potential emerges as the non-relativistic limit of the Moeller scattering amplitude and it results attractive with a suitable choice of parameters. Numerically values of the e - e - binding energy are obtained by solving the two-dimensional Schroedinger equation. The existence of bound states is a strong indicative that this model may be adopted to address the pairing mechanism of high-T c superconductivity. (author)

  19. Electron-electron bound states in parity-preserving QED{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Belich, H.; Helayel-Neto, J.A. [Universidade Catolica do Petropolis, RJ (Brazil). Grupo de Fisica Teorica]|[Centro Brasileiro de Pesquisas Fisicas (CBPF), Rio de Janeiro, RJ (Brazil). Coordenacao de Teoria de Campos e Particulas; Cima, O.M. del [Universidade Catolica do Petropolis, RJ (Brazil). Grupo de Fisica Teorica; Ferreira Junior, M.M. [Centro Brasileiro de Pesquisas Fisicas (CBPF), Rio de Janeiro, RJ (Brazil). Coordenacao de Teoria de Campos e Particulas]|[Maranhao Univ., Sao Luis, MA (Brazil). Dept. de Fisica

    2002-04-01

    By considering the Higgs mechanism in the framework of a parity-preserving Planar Quantum Electrodynamics, one shows that an attractive electron-electron interaction may dominate. The e{sup -}e{sup -} interaction potential emerges as the non-relativistic limit of the Moeller scattering amplitude and it results attractive with a suitable choice of parameters. Numerically values of the e{sup -}e{sup -} binding energy are obtained by solving the two-dimensional Schroedinger equation. The existence of bound states is a strong indicative that this model may be adopted to address the pairing mechanism of high-T{sub c} superconductivity. (author)

  20. Surface structure determinations of crystalline ionic thin films grown on transition metal single crystal surfaces by low energy electron diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Roberts, Joel Glenn [Univ. of California, Berkeley, CA (United States)

    2000-05-01

    The surface structures of NaCl(100), LiF(100) and alpha-MgCl2(0001) adsorbed on various metal single crystals have been determined by low energy electron diffraction (LEED). Thin films of these salts were grown on metal substrates by exposing the heated metal surface to a molecular flux of salt emitted from a Knudsen cell. This method of investigating thin films of insulators (ionic salts) on a conducting substrate (metal) circumvents surface charging problems that plagued bulk studies, thereby allowing the use of electron-based techniques to characterize the surface.

  1. Monte Carlo simulation of heavy ion induced kinetic electron emission from an Al surface

    CERN Document Server

    Ohya, K

    2002-01-01

    A Monte Carlo simulation is performed in order to study heavy ion induced kinetic electron emission from an Al surface. In the simulation, excitation of conduction band electrons by the projectile ion and recoiling target atoms is treated on the basis of the partial wave expansion method, and the cascade multiplication process of the excited electrons is simulated as well as collision cascade of the recoiling target atoms. Experimental electron yields near conventional threshold energies of heavy ions are simulated by an assumption of a lowering in the apparent surface barrier for the electrons. The present calculation derives components for electron excitations by the projectile ion, the recoiling target atoms and the electron cascades, from the calculated total electron yield. The component from the recoiling target atoms increases with increasing projectile mass, whereas the component from the electron cascade decreases. Although the components from the projectile ion and the electron cascade increase with...

  2. Surface modification of the metal plates using continuous electron beam process (CEBP)

    International Nuclear Information System (INIS)

    Kim, Jisoo; Kim, Jin-Seok; Kang, Eun-Goo; Park, Hyung Wook

    2014-01-01

    Highlights: • We performed surface modification of SM20C, SUS303, and Al6061 using CEBP. • We analyzed surface properties and microstructure after electron-beam irradiation. • The surface quality was improved after electron-beam irradiation. • The surface hardness for SM20C was increased by ∼50% after CEBP irradiation. - Abstract: The finishing process is an important component of the quality-control procedure for final products in manufacturing applications. In this study, we evaluated the performance of continuous electron-beam process as the final process for finishing SM20C (steel alloy), SUS303 (stainless steel alloy), and Al6061 (aluminum alloy) surfaces both on the initially smooth and rough surfaces. Surface modification of the metals was carried out by varying the feed and frequency of the continuous electron-beam irradiation procedure. The resulting surface roughness was examined with respect to the initial surface roughness of the metals. SM20C and SUS303 experienced an improvement in surface roughness, particularly for initially rough surfaces. Continuous electron-beam process produced craters during the process and the effect of this phenomenon on the resulting surface roughness was relatively large with the initially smooth SM20C and SUS303 alloy surfaces. For Al6061, the continuous electron-beam process was effective at improving its surface roughness even with the initially smooth surface under the optimized conditions of process; this was attributed to its low melting point. Scanning electron microscopy was used to identify metallurgical variation within the thin melted and re-solidification layers of the tested alloys. Changes in the surface contact angle and hardness before and after electron-beam irradiation were also examined

  3. Surface modification of the metal plates using continuous electron beam process (CEBP)

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Jisoo, E-mail: kimjisu16@unist.ac.kr [School of Mechanical and Advanced Materials Engineering, Ulsan National Institute of Science and Technology, UNIST-gil 50, Eonyang-eup, Ulju-gun, Ulsan Metropolitan City 689-798 (Korea, Republic of); Kim, Jin-Seok, E-mail: totoro22@kitech.re.kr [Korea Institute of Industrial Technology (KITECH), KITECH Cheonan Headquarters 35-3 Hongcheon-ri, Ipjang-myeon, Cheonan-si, Chungcheongnam-do 330-825 (Korea, Republic of); Kang, Eun-Goo, E-mail: egkang@kitech.re.kr [Korea Institute of Industrial Technology (KITECH), KITECH Cheonan Headquarters 35-3 Hongcheon-ri, Ipjang-myeon, Cheonan-si, Chungcheongnam-do 330-825 (Korea, Republic of); Park, Hyung Wook, E-mail: hwpark@unist.ac.kr [School of Mechanical and Advanced Materials Engineering, Ulsan National Institute of Science and Technology, UNIST-gil 50, Eonyang-eup, Ulju-gun, Ulsan Metropolitan City 689-798 (Korea, Republic of)

    2014-08-30

    Highlights: • We performed surface modification of SM20C, SUS303, and Al6061 using CEBP. • We analyzed surface properties and microstructure after electron-beam irradiation. • The surface quality was improved after electron-beam irradiation. • The surface hardness for SM20C was increased by ∼50% after CEBP irradiation. - Abstract: The finishing process is an important component of the quality-control procedure for final products in manufacturing applications. In this study, we evaluated the performance of continuous electron-beam process as the final process for finishing SM20C (steel alloy), SUS303 (stainless steel alloy), and Al6061 (aluminum alloy) surfaces both on the initially smooth and rough surfaces. Surface modification of the metals was carried out by varying the feed and frequency of the continuous electron-beam irradiation procedure. The resulting surface roughness was examined with respect to the initial surface roughness of the metals. SM20C and SUS303 experienced an improvement in surface roughness, particularly for initially rough surfaces. Continuous electron-beam process produced craters during the process and the effect of this phenomenon on the resulting surface roughness was relatively large with the initially smooth SM20C and SUS303 alloy surfaces. For Al6061, the continuous electron-beam process was effective at improving its surface roughness even with the initially smooth surface under the optimized conditions of process; this was attributed to its low melting point. Scanning electron microscopy was used to identify metallurgical variation within the thin melted and re-solidification layers of the tested alloys. Changes in the surface contact angle and hardness before and after electron-beam irradiation were also examined.

  4. Charge state of ions scattered by metal surface

    International Nuclear Information System (INIS)

    Kishinevsky, L.M.; Parilis, E.S.; Verleger, V.K.

    1976-01-01

    A model for description of charge distributions for scattering of heavy ions in the keV region, on metal surfaces developing and improving the method of Van der Weg and Bierman, and taking into account the connection between the ion charge state and scattering kinematics, is proposed. It is shown that multiple charged particles come from ions with a vacancy in the inner shell while the outer shell vacancies give only single charged ions and neutrals. The approximately linear increase of degree of ionization with normal velocity, and the non-monotonic charge dependence of the energy spectrum established by Chicherov and Buck et al is explained by considering irreversible neutralization in the depth of the metal, taking into account the connection of the charge state with the shape of trajectory and its location relative to the metal surface. The dependence of charge state on surface structure is discussed. Some new experiments are proposed. (author)

  5. Single electron probes of fractional quantum hall states

    Science.gov (United States)

    Venkatachalam, Vivek

    When electrons are confined to a two dimensional layer with a perpendicular applied magnetic field, such that the ratio of electrons to flux quanta (nu) is a small integer or simple rational value, these electrons condense into remarkable new phases of matter that are strikingly different from the metallic electron gas that exists in the absence of a magnetic field. These phases, called integer or fractional quantum Hall (IQH or FQH) states, appear to be conventional insulators in their bulk, but behave as a dissipationless metal along their edge. Furthermore, electrical measurements of such a system are largely insensitive to the detailed geometry of how the system is contacted or even how large the system is... only the order in which contacts are made appears to matter. This insensitivity to local geometry has since appeared in a number of other two and three dimensional systems, earning them the classification of "topological insulators" and prompting an enormous experimental and theoretical effort to understand their properties and perhaps manipulate these properties to create robust quantum information processors. The focus of this thesis will be two experiments designed to elucidate remarkable properties of the metallic edge and insulating bulk of certain FQH systems. To study such systems, we can use mesoscopic devices known as single electron transistors (SETs). These devices operate by watching single electrons hop into and out of a confining box and into a nearby wire (for measurement). If it is initially unfavorable for an electron to leave the box, it can be made favorable by bringing another charge nearby, modifying the energy of the confined electron and pushing it out of the box and into the nearby wire. In this way, the SET can measure nearby charges. Alternatively, we can heat up the nearby wire to make it easier for electrons to enter and leave the box. In this way, the SET is a sensitive thermometer. First, by operating the SET as an

  6. Dynamical simulation of electron transfer processes in self-assembled monolayers at metal surfaces using a density matrix approach

    Science.gov (United States)

    Prucker, V.; Bockstedte, M.; Thoss, M.; Coto, P. B.

    2018-03-01

    A single-particle density matrix approach is introduced to simulate the dynamics of heterogeneous electron transfer (ET) processes at interfaces. The characterization of the systems is based on a model Hamiltonian parametrized by electronic structure calculations and a partitioning method. The method is applied to investigate ET in a series of nitrile-substituted (poly)(p-phenylene)thiolate self-assembled monolayers adsorbed at the Au(111) surface. The results show a significant dependence of the ET on the orbital symmetry of the donor state and on the molecular and electronic structure of the spacer.

  7. Dynamical simulation of electron transfer processes in self-assembled monolayers at metal surfaces using a density matrix approach.

    Science.gov (United States)

    Prucker, V; Bockstedte, M; Thoss, M; Coto, P B

    2018-03-28

    A single-particle density matrix approach is introduced to simulate the dynamics of heterogeneous electron transfer (ET) processes at interfaces. The characterization of the systems is based on a model Hamiltonian parametrized by electronic structure calculations and a partitioning method. The method is applied to investigate ET in a series of nitrile-substituted (poly)(p-phenylene)thiolate self-assembled monolayers adsorbed at the Au(111) surface. The results show a significant dependence of the ET on the orbital symmetry of the donor state and on the molecular and electronic structure of the spacer.

  8. Thin films of amorphous nitrogenated carbon a-CN{sub x}: Electron transfer and surface reactivity

    Energy Technology Data Exchange (ETDEWEB)

    Tamiasso-Martinhon, P.; Cachet, H.; Debiemme-Chouvy, C.; Deslouis, C. [Universite Pierre et Marie Curie-Paris 6, Laboratoire Interfaces et Systemes Electrochimiques, CNRS, UPR15-LISE, 4 Place Jussieu, Paris F-75005 (France)

    2008-08-01

    The electrochemical behaviour of thin films of nitrogenated amorphous carbon a-CN{sub x} is similar to that of boron-doped diamond, with a wide potential window in aqueous media. They are elaborated by cathodic sputtering of a graphite target in an Ar-N{sub 2} active plasma for varying nitrogen contents, determined by XPS (0.06 {<=} x {<=} 0.39). Their electrochemical reactivity is sensitive to the surface state. The present study reports on the influence of electrochemical pre treatment on the electronic transfer rate of a fast redox system ferri-ferrocyanide, by focusing on the direction of the potential excursion. On the other hand, the role of both the pH and the potential on the interfacial capacitance in the presence of Na{sub 2}SO{sub 4} without redox species is documented. The results show up the sensitivity of the film surface to the electrochemical conditions. (author)

  9. Control of Electronic Conduction at an Oxide Heterointerface using Surface Polar Adsorbates

    Energy Technology Data Exchange (ETDEWEB)

    Bell, Christopher

    2011-08-19

    We study the effect of the surface adsorption of a variety of common laboratory solvents on the conductivity at the interface between LaAlO{sub 3} and SrTiO{sub 3}. This interface possesses a range of intriguing physics, notably a proposed connection between the surface state of the LaAlO{sub 3} and the conductivity buried in the SrTiO{sub 3}. We show that the application of chemicals such as acetone, ethanol, and water can induce a large change (factor of three) in the conductivity. This phenomenon is observed only for polar solvents. These data provide experimental evidence for a general polarization-facilitated electronic transfer mechanism.

  10. Electron impact excitation of xenon from the metastable state to the excited states

    Energy Technology Data Exchange (ETDEWEB)

    Jiang Jun; Dong Chenzhong; Xie Luyou; Zhou Xiaoxin [College of Physics and Electronic Engineering, Northwest Normal University, Lanzhou 730070 (China); Wang Jianguo [Institute of Applied Physics and Computational Mathematic, Beijing 100088 (China)], E-mail: dongcz@nwnu.edu.cn

    2008-12-28

    The electron impact excitation cross sections from the lowest metastable state 5p{sup 5}6sJ = 2 to the six lowest excited states of the 5p{sup 5}6p configuration of xenon are calculated systematically by using the fully relativistic distorted wave method. In order to discuss the effects of target state descriptions on the electron impact excitation cross sections, two correlation models are used to describe the target states based on the multiconfiguration Dirac-Fock (MCDF) method. It is found that the correlation effects play a very important role in low energy impact. For high energy impact, however, the cross sections are not sensitive to the description of the target states, but many more partial waves must be included.

  11. Investigations of the Electronic Properties and Surface Structures of Aluminium-Rich Quasicrystalline Alloys

    Energy Technology Data Exchange (ETDEWEB)

    Barrow, Jason A. [Iowa State Univ., Ames, IA (United States)

    2003-01-01

    equations. Transport behavior is described in terms of charge carriers and the mean-free time between carrier collisions. It is concluded that the mean-free time is much longer in the periodic direction than in the aperiodic direction. This difference produces the observed anisotropy in thermal transport. The third study presented a detailed analysis of the reversible, sputter-induced phase transformation which occurs on the 5-fold surface of an icosahedral Al-Cu-Fe quasicrystal. Reflection high-energy electron diffraction (RHEED), x-ray photoemission spectroscopy (XPS), and ultra-violet photoemission spectroscopy (UPS) data were collected as a function of annealing temperature and were used to probe surface structure, surface composition, and electronic structure, respectively. The composition and structure of the sputtered surface are consistent with a transformation to the β-Al-Cu-Fe cubic structure, and shows a sharp metallic cut-off in the spectral intensity of the electronic structure at the Fermi edge. Upon annealing the surface reverts to a quasicrystalline composition and structure. This transformation has been correlated with a reduction in the spectral intensity of the electronic structure at the Fermi level. This data clearly demonstrates that the observed reduction is intrinsic to a quasicrystalline surface. It is concluded that this is due to the opening of a pseudo-gap in the electronic density of states as the surface reverts from β-Al-Cu-Fe to quasicrystalline.

  12. Another way of looking at bonding on bimetallic surfaces: the role of spin polarization of surface metal d states

    International Nuclear Information System (INIS)

    Escano, M C; Nguyen, T Q; Nakanishi, H; Kasai, H

    2009-01-01

    The nature of electronic and chemical properties of an unstrained Pt monolayer on a 3d transition metal substrate, M (M = Cr, Mn, Fe), is studied using spin-polarized density functional theory calculations. High spin polarization of Pt d states is noted, verifying the magnetization induced on Pt, which is observed to be responsible for redirecting the analysis of bond formation on a metal surface towards a different perspective. While the shift in the Pt d band center (the average energy of the Pt d band, commonly used to predict the reactivity of surfaces) does give the expected trend in adsorbate (oxygen) chemisorption energy across the bimetallic surfaces in this work, our results show that for spin-polarized Pt d states, the variation in strength of adsorption with respect to the Fermi level density of states is more predictive of Pt chemisorption properties. Hence, this study introduces a scheme for analyzing trends in reactivity of bimetallic surfaces where adsorption energies are used as reactivity parameters and where spin polarization effects cannot be neglected. (fast track communication)

  13. Metastable states of plasma particles close to a charged surface

    Energy Technology Data Exchange (ETDEWEB)

    Shavlov, A. V., E-mail: shavlov@ikz.ru [The Institute of the Earth Cryosphere, RAS Siberian branch, 625000, P.O. 1230, Tyumen (Russian Federation); Tyumen State Oil and Gas University, 38, Volodarskogo St., 625000, Tyumen (Russian Federation); Dzhumandzhi, V. A. [The Institute of the Earth Cryosphere, RAS Siberian branch, 625000, P.O. 1230, Tyumen (Russian Federation)

    2015-09-15

    The free energy of the plasma particles and the charged surface that form an electroneutral system is calculated on the basis of the Poisson-Boltzmann equation. It is shown that, owing to correlation of light plasma particles near the charged surface and close to heavy particles of high charge, there can be metastable states in plasma. The corresponding phase charts of metastable states of the separate components of plasma, and plasma as a whole, are constructed. These charts depend on temperature, the charge magnitude, the size of the particles, and the share of the charge of the light carriers out of the total charge of the plasma particles.

  14. Atomic and electronic structure of the CdTe(111)B–(2√3 × 4) orthogonal surface

    Energy Technology Data Exchange (ETDEWEB)

    Bekenev, V. L., E-mail: bekenev@ipms.kiev.ua; Zubkova, S. M. [National Academy of Sciences of Ukraine, Frantsevych Institute for Problems of Materials Science (Ukraine)

    2017-01-15

    The atomic and electronic structure of four variants of Te-terminated CdTe(111)B–(2√3 × 4) orthogonal polar surface (ideal, relaxed, reconstructed, and reconstructed with subsequent relaxation) are calculated ab initio for the first time. The surface is modeled by a film composed of 12 atomic layers with a vacuum gap of ~16 Å in the layered superlattice approximation. To close Cd dangling bonds on the opposite side of the film, 24 fictitious hydrogen atoms with a charge of 1.5 electrons each are added. Ab initio calculations are performed using the Quantum Espresso program based on density functional theory. It is demonstrated that relaxation leads to splitting of the four upper layers. The band energy structures and total and layer-by-layer densities of electronic states for the four surface variants are calculated and analyzed.

  15. Application of a sawtooth surface to accelerator beam chambers with low electron emission rate

    International Nuclear Information System (INIS)

    Suetsugu, Y.; Tsuchiya, M.; Nishidono, T.; Kato, N.; Satoh, N.; Endo, S.; Yokoyama, T.

    2003-01-01

    One of the latest problems in positron or proton accelerators is a single-beam instability due to an electron cloud around the beam. The instability, for an example, causes a beam size blow up of the positron beam and deteriorates the performance of the electron-positron collider. the seed of the electron cloud is the electrons emitted from the surface of the beam chamber, which consists of electrons due to the synchrotron radiation (photoelectrons) and sometimes those multiplied by the multipactoring. Suppressing the electron emission from the surface is, therefore, an essential way to cure the instability. Here a rough surface with a sawtooth structure (sawtooth surface) is proposed to reduce the electron emission from the surface of the beam chamber. A new rolling-tap method is developed for this study to make the sawtooth surface in a circular beam chamber with a length of several meters. The first experiment using a test chamber at a photon beam line of the KEK Photon Factory verifies its validity. The photoelectron emission from the sawtooth surface reduces by one order of magnitude compared to the usual smooth surface. In the second experiment under a bunched positron beam in the KEK B-Factory, however, the electron emission is comparable to that of a smooth surface and the behavior is quite different from the previous one. The reason is that the beam field excites the multipactoring of electrons and the decrease of the photoelectron emission by the sawtooth surface is wiped out. The sawtooth surface will be effective to reduce the electron emission under the situation with external magnetic fields or without strong beam fields where the electron multipactoring hardly occurs

  16. Electron capture into excited states of multi-charged ions

    International Nuclear Information System (INIS)

    Dijkkamp, D.

    1985-01-01

    This thesis deals with charge exchange reactions in slow collisions of multi-charged ions with neutral atoms or molecules. These reactions proceed very efficiently via a curve crossing mechanism, which leads to preferential population of excited states of the ion. The subsequent decay of these states leads to the emission of characteristic radiation. From wavelength resolved measurements of the absolute intensity of this radiation, cross sections for selective population of the excited (n,l-) states of the ion were determined. In addition, for some systems the total capture cross section was measured directly by means of charge state analysis of the secondary projectile ions. The role of charge exchange processes in fusion plasmas and in astrophysical plasmas is indicated. An experimental set-up is described with emphasis on the Electron Cyclotron Resonance Ion Source that was used in the experiments. Results for collisions of C 6+ , N 6+ , O 6+ and Ne 6+ with He, H 2 and Ar are presented as well as for electron capture from Li atoms by C 4+ and He 2+ . The interaction of the iso-electronic sequence C 4+ , N 5+ , O 6+ with atomic hydrogen, molecular hydrogen and helium is studied. First results for partial and total cross sections in collisions of fully stripped carbon, nitrogen and oxygen ions with atomic hydrogen are presented. These data are of particular importance for applications in fusion diagnostics. The data indicate that calculations of both molecular and atomic orbital type yield correct results, if an extended basis set is used. (Auth.)

  17. Benzonitrile: Electron affinity, excited states, and anion solvation

    Science.gov (United States)

    Dixon, Andrew R.; Khuseynov, Dmitry; Sanov, Andrei

    2015-10-01

    We report a negative-ion photoelectron imaging study of benzonitrile and several of its hydrated, oxygenated, and homo-molecularly solvated cluster anions. The photodetachment from the unsolvated benzonitrile anion to the X ˜ 1 A 1 state of the neutral peaks at 58 ± 5 meV. This value is assigned as the vertical detachment energy (VDE) of the valence anion and the upper bound of adiabatic electron affinity (EA) of benzonitrile. The EA of the lowest excited electronic state of benzonitrile, a ˜ 3 A 1 , is determined as 3.41 ± 0.01 eV, corresponding to a 3.35 eV lower bound for the singlet-triplet splitting. The next excited state, the open-shell singlet A ˜ 1 A 1 , is found about an electron-volt above the triplet, with a VDE of 4.45 ± 0.01 eV. These results are in good agreement with ab initio calculations for neutral benzonitrile and its valence anion but do not preclude the existence of a dipole-bound state of similar energy and geometry. The step-wise and cumulative solvation energies of benzonitrile anions by several types of species were determined, including homo-molecular solvation by benzonitrile, hydration by 1-3 waters, oxygenation by 1-3 oxygen molecules, and mixed solvation by various combinations of O2, H2O, and benzonitrile. The plausible structures of the dimer anion of benzonitrile were examined using density functional theory and compared to the experimental observations. It is predicted that the dimer anion favors a stacked geometry capitalizing on the π-π interactions between the two partially charged benzonitrile moieties.

  18. Quantum confinement and heavy surface states of Dirac fermions in bismuth (111) films: An analytical approach

    Science.gov (United States)

    Enaldiev, V. V.; Volkov, V. A.

    2018-03-01

    Recent high-resolution angle-resolved photoemission spectroscopy experiments have given a reason to believe that pure bismuth is a topologically nontrivial semimetal. We derive an analytic theory of surface and size-quantized states of Dirac fermions in Bi(111) films taking into account the new data. The theory relies on a new phenomenological momentum-dependent boundary condition for the effective Dirac equation. The boundary condition is described by two real parameters that are expressed by a linear combination of the Dresselhaus and Rashba interface spin-orbit interaction parameters. In semi-infinite Bi(111), near the M ¯ point the surface states possess anisotropical parabolic dispersion with very heavy effective mass in the Γ ¯-M ¯ direction order of ten free electron masses and light effective mass in the M ¯-K ¯ direction order of one hundredth of free electron mass. In Bi(111) films with equivalent surfaces, the surface states from top and bottom surfaces are not split. In such a symmetric film with arbitrary thickness, the bottom of the lowest quantum confinement subband in the conduction band coincides with the bottom of the bulk conduction band in the M ¯ point.

  19. Chlorine-induced modifications in the electronic structure of Ag surfaces: a metastable deexcitation spectroscopy and photoemission comparative study

    CERN Document Server

    Pasquali, L; Canepa, M; Staicu-Casagrande, E M; Esaulov, V A

    2003-01-01

    Surface-sensitive spectroscopic techniques, namely metastable deexcitation spectroscopy (MDS) and ultraviolet photoemission (UPS), have been applied to investigate the effects of chlorine chemisorption on the electronic properties (surface density of states and charge density) of Ag(100), Ag(110) and Ag(111) surfaces. Initial stages of chemisorption, up to the formation of a saturated Cl overlayer, have been examined. In particular, MDS permitted us to observe at low Cl gas exposure a progressive depletion of the Ag (5s) charge due to transfer and bonding with Cl atoms. From both MDS and UPS it was possible to observe the development of Cl (3p) bonding and anti-bonding states, the amount of their splitting increasing with coverage. Differences between chemisorption at the three surfaces have been noticed and they have been justified in terms of the different adatom packing and possible formation of small AgCl clusters (especially for the Ag(111) surface).

  20. Chlorine-induced modifications in the electronic structure of Ag surfaces: a metastable deexcitation spectroscopy and photoemission comparative study

    International Nuclear Information System (INIS)

    Pasquali, L; Nannarone, S; Canepa, M; Staicu-Casagrande, E M; Esaulov, V A

    2003-01-01

    Surface-sensitive spectroscopic techniques, namely metastable deexcitation spectroscopy (MDS) and ultraviolet photoemission (UPS), have been applied to investigate the effects of chlorine chemisorption on the electronic properties (surface density of states and charge density) of Ag(100), Ag(110) and Ag(111) surfaces. Initial stages of chemisorption, up to the formation of a saturated Cl overlayer, have been examined. In particular, MDS permitted us to observe at low Cl gas exposure a progressive depletion of the Ag (5s) charge due to transfer and bonding with Cl atoms. From both MDS and UPS it was possible to observe the development of Cl (3p) bonding and anti-bonding states, the amount of their splitting increasing with coverage. Differences between chemisorption at the three surfaces have been noticed and they have been justified in terms of the different adatom packing and possible formation of small AgCl clusters (especially for the Ag(111) surface)

  1. Surface crack testing - state of technique and trends in development

    International Nuclear Information System (INIS)

    1991-01-01

    This Seminar contains 12 lectures on the following subjects: State of technique in magnetic powder testing (K. Goebbels); Recognisability of faults and probability of faults in surface crack testing (W. Morgner); Requirements for picture processing systems for proving and assessing crack indications (M. Stadthaus); Possibilities and limits of automatic crack recognition in magnetic powder testing (V. Deutsch); Development of equipment for eddy current testing (M. Junger); Signal processing - a way of improving the recognisability of faults in eddy current testing (R. Becker); Methods of testing steel products for surface faults and their practical limits of fault recognisability (D. Thiery); Surface crack testing in pipe manufacture (R. Pawelletz); Surface crack testing in powerstation construction (L. v. Bernus); Trends in automation in surface crack testing (G. Maier); Eddy current testing in engine construction (E. Dickhaut); Eddy current testing in aircraft repair (F. Schur). (orig.) [de

  2. Electronic structures of interfacial states formed at polymeric semiconductor heterojunctions

    Science.gov (United States)

    Huang, Ya-Shih; Westenhoff, Sebastian; Avilov, Igor; Sreearunothai, Paiboon; Hodgkiss, Justin M.; Deleener, Caroline; Friend, Richard H.; Beljonne, David

    2008-06-01

    Heterojunctions between organic semiconductors are central to the operation of light-emitting and photovoltaic diodes, providing respectively for electron-hole capture and separation. However, relatively little is known about the character of electronic excitations stable at the heterojunction. We have developed molecular models to study such interfacial excited electronic excitations that form at the heterojunction between model polymer donor and polymer acceptor systems: poly(9,9-dioctylfluorene-co-bis-N,N-(4-butylphenyl)-bis-N,N-phenyl-1,4-phenylenediamine) (PFB) with poly(9,9-dioctylfluorene-co-benzothiadiazole) (F8BT), and poly(9,9-dioctylfluorene-co-N-(4-butylphenyl)diphenylamine) (TFB) with F8BT. We find that for stable ground-state geometries the excited state has a strong charge-transfer character. Furthermore, when partly covalent, modelled radiative lifetimes (~10-7s) and off-chain axis polarization (30∘) match observed `exciplex' emission. Additionally for the PFB:F8BT blend, geometries with fully ionic character are also found, thus accounting for the low electroluminescence efficiency of this system.

  3. Electron scattering from the ground state of mercury

    International Nuclear Information System (INIS)

    Fursa, D.; Bray, I.

    2000-01-01

    Full text: Close-coupling calculations have been performed for electron scattering from the ground state of mercury. We have used non-relativistic convergent close-coupling computer code with only minor modifications in order to account for the most prominent relativistic effects. These are the relativistic shift effect and singlet-triplet mixing. Very good agreement with measurements of differential cross sections for elastic scattering and excitation of 6s6p 1 P state at all energies is obtained. It is well recognised that a consistent approach to electron scattering from heavy atoms (like mercury, with nuclear charge Z=80) must be based on a fully relativistic Dirac equations based technique. While development of such technique is under progress in our group, the complexity of the problem ensures that results will not be available in the near future. On other hand, there is considerable interest in reliable theoretical results for electron scattering from heavy atoms from both applications and the need to interpret existing experimental data. This is particularly the case for mercury, which is the major component in fluorescent lighting devices and has been the subject of intense experimental study since nineteen thirties. Similarly to our approach for alkaline-earth atoms we use a model of two valence electrons above an inert Hartree-Fock core to describe the mercury atom. Note that this model does not account for any core excited states which are present in the mercury discrete spectrum. The major effect of missing core-excited states is substantial underestimation of the static dipole polarizability of the mercury ground state (34 a.u.) and consequent underestimation of the forward scattering elastic cross sections. We correct for this by adding in the scattering calculations a phenomenological polarization potential. In order to obtain correct ground state ionization energy for mercury one has to account for the relativistic shift effect. We model this

  4. The impact of surface coverage on the kinetics of electron transfer through redox monolayers on a silicon electrode surface

    International Nuclear Information System (INIS)

    Ciampi, Simone; Choudhury, Moinul H.; Ahmad, Shahrul Ainliah Binti Alang; Darwish, Nadim; Brun, Anton Le; Gooding, J.Justin

    2015-01-01

    Graphical abstract: The impact of surface coverage on the kinetics of electron transfer through redox monolayers on a silicon electrode surface. ABSTRACT: The impact of the coverage of ferrocene moieties, attached to a silicon electrode modified via hydrosilylation of a dialkyne, on the kinetics of electron transfer between the redox species and the electrode is explored. The coverage of ferrocene is controlled by varying the coupling time between azidomethylferrocene and the distal alkyne of the monolayer via the copper assisted azide-alkyne cycloaddition reaction. All other variables in the surface preparation are maintained identical. What is observed is that the higher the surface coverage of the ferrocene moieties the faster the apparent rates of electron transfer. This surface coverage-dependent kinetic effect is attributed to electrons hopping between ferrocene moieties across the redox film toward hotspots for the electron transfer event. The origin of these hotspots is tentatively suggested to result from minor amounts of oxide on the underlying silicon surface that reduce the barrier for the electron transfer.

  5. Self-Assembled Si(111) Surface States: 2D Dirac Material for THz Plasmonics

    Science.gov (United States)

    Wang, Z. F.; Liu, Feng

    2015-07-01

    Graphene, the first discovered 2D Dirac material, has had a profound impact on science and technology. In the last decade, we have witnessed huge advances in graphene related fundamental and applied research. Here, based on first-principles calculations, we propose a new 2D Dirac band on the Si(111) surface with 1 /3 monolayer halogen coverage. The s p3 dangling bonds form a honeycomb superstructure on the Si(111) surface that results in an anisotropic Dirac band with a group velocity (˜106 m /s ) comparable to that in graphene. Most remarkably, the Si-based surface Dirac band can be used to excite a tunable THz plasmon through electron-hole doping. Our results demonstrate a new way to design Dirac states on a traditional semiconductor surface, so as to make them directly compatible with Si technology. We envision this new type of Dirac material to be generalized to other semiconductor surfaces with broad applications.

  6. Bulk and surface states carried supercurrent in ballistic Nb-Dirac semimetal Cd3As2 nanowire-Nb junctions

    NARCIS (Netherlands)

    Li, Cai Zhen; Li, Chuan; Wang, Li Xian; Wang, Shuo; Liao, Zhi Min; Brinkman, Alexander; Yu, Da Peng

    2018-01-01

    A three-dimensional Dirac semimetal has bulk Dirac cones in all three momentum directions and Fermi arc like surface states, and can be converted into a Weyl semimetal by breaking time-reversal symmetry. However, the highly conductive bulk state usually hides the electronic transport from the

  7. Surface flashover performance of epoxy resin microcomposites improved by electron beam irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Huang, Yin; Min, Daomin [State Key Laboratory of Electrical Insulation and Power Equipment, Xi' an Jiaotong University, Xi' an 710049 (China); Li, Shengtao, E-mail: stli@mail.xjtu.edu.cn [State Key Laboratory of Electrical Insulation and Power Equipment, Xi' an Jiaotong University, Xi' an 710049 (China); Li, Zhen; Xie, Dongri [State Key Laboratory of Electrical Insulation and Power Equipment, Xi' an Jiaotong University, Xi' an 710049 (China); Wang, Xuan [Key Laboratory of Engineering Dielectric and its Application, Ministry of Education, Harbin University of Science and Technology, Harbin 150040 (China); Lin, Shengjun [State Key Laboratory of Electrical Insulation and Power Equipment, Xi' an Jiaotong University, Xi' an 710049 (China); Pinggao Group Company Ltd., State Grid High Voltage Switchgear Insulation Materials Laboratory, Pingdingshan 467001 (China)

    2017-06-01

    Highlights: • Epoxy resin microcomposites were irradiated by electron beam with energies of 10 and 20 keV. • Surface flashover voltage increase with the increase of electron beam energy. • Both the untreated and irradiated samples have two trap centers, which are labeled as shallow and deep traps. • Deposition energy in epoxy resin microcomposites increases with electron beam energy, and surface trap properties are determined by deposition energy. • The influence of surface conductivity and trap distribution on flashover voltage is discussed. - Abstract: The influencing mechanism of electron beam irradiation on surface flashover of epoxy resin/Al{sub 2}O{sub 3} microcomposite was investigated. Epoxy resin/Al{sub 2}O{sub 3} microcomposite samples with a diameter of 50 mm and a thickness of 1 mm were prepared. The samples were irradiated by electron beam with energies of 10 and 20 keV and a beam current of 5 μA for 5 min. Surface potential decay, surface conduction, and surface flashover properties of untreated and irradiated samples were measured. Both the decay rate of surface potential and surface conductivity decrease with an increase in the energy of electron beam. Meanwhile, surface flashover voltage increase. It was found that both the untreated and irradiated samples have two trap centers, which are labeled as shallow and deep traps. The increase in the energy and density of deep surface traps enhance the ability to capture primary emitted electrons. In addition, the decrease in surface conductivity blocks electron emission at the cathode triple junction. Therefore, electron avalanche at the interface between gas and an insulating material would be suppressed, eventually improving surface flashover voltage of epoxy resin microcomposites.

  8. Photoreflectance and Raman Study of Surface Electric States on AlGaAs/GaAs Heterostructures

    Directory of Open Access Journals (Sweden)

    Luis Zamora-Peredo

    2016-01-01

    Full Text Available Photoreflectance (PR and Raman are two very useful spectroscopy techniques that usually are used to know the surface electronic states in GaAs-based semiconductor devices. However, although they are exceptional tools there are few reports where both techniques were used in these kinds of devices. In this work, the surface electronic states on AlGaAs/GaAs heterostructures were studied in order to identify the effect of factors like laser penetration depth, cap layer thickness, and surface passivation over PR and Raman spectra. PR measurements were performed alternately with two lasers (532 nm and 375 nm wavelength as the modulation sources in order to identify internal and surface features. The surface electric field calculated by PR analysis decreased whereas the GaAs cap layer thickness increased, in good agreement with a similar behavior observed in Raman measurements (IL-/ILO ratio. When the heterostructures were treated by Si-flux, these techniques showed contrary behaviors. PR analysis revealed a diminution in the surface electric field due to a passivation process whereas the IL-/ILO ratio did not present the same behavior because it was dominated by the depletion layers width (cap layer thickness and the laser penetration depth.

  9. Nonponderomotive electron acceleration in ultrashort surface-plasmon fields

    Energy Technology Data Exchange (ETDEWEB)

    Racz, Peter; Dombi, Peter [Wigner Research Centre for Physics, Konkoly-Thege M. ut 29-33, H-1121 Budapest (Hungary)

    2011-12-15

    We investigate the nonponderomotive nature of ultrafast plasmonic electron acceleration in strongly decaying electromagnetic fields generated by few-cycle and single-cycle femtosecond laser pulses. We clearly identify the conditions contributing to nonponderomotive acceleration and establish fundamental scaling laws and carrier-envelope phase effects. These all-optically accelerated compact, femtosecond electron sources can be utilized in contemporary ultrafast methods.

  10. Predamage threshold electron emission from insulator and semiconductor surfaces

    International Nuclear Information System (INIS)

    Siekhaus, W.J.; Kinney, J.H.; Milam, D.

    1985-01-01

    Predamage electron emission shows a dependence on fluence, bandgap and wavelength consistent with multiphoton excitation across the bandgap and inconsistent with avalanche ionization and thermionic emission models. The electron emission scales with pulselength as 1/√T. 6 references, 8 figures, 1 table

  11. Integral elastic, electronic-state, ionization, and total cross sections for electron scattering with furfural

    Energy Technology Data Exchange (ETDEWEB)

    Jones, D. B. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, South Australia 5001 (Australia); Costa, R. F. da [Instituto de Física “Gleb Wataghin,” Universidade Estadual de Campinas, Campinas, 13083-859 São Paulo (Brazil); Departamento de Física, Universidade Federal do Espírito Santo, 29075-910, Vitória, Espírito Santo (Brazil); Varella, M. T. do N. [Instituto de Física, Universidade de São Paulo, CP 66318, 05315-970 São Paulo (Brazil); Bettega, M. H. F. [Departamento de Física, Universidade Federal do Paraná, CP 19044, 81531-990 Curitiba, Paraná (Brazil); Lima, M. A. P. [Instituto de Física “Gleb Wataghin,” Universidade Estadual de Campinas, Campinas, 13083-859 São Paulo (Brazil); Blanco, F. [Departamento de Física Atómica, Molecular y Nuclear, Universidad Complutense de Madrid, Madrid E-28040 (Spain); García, G. [Instituto de Física Fundamental, CSIC, Serrano 113-bis, 28006 Madrid (Spain); Brunger, M. J., E-mail: Michael.Brunger@flinders.edu.au [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, South Australia 5001 (Australia); Institute of Mathematical Sciences, University of Malaya, 50603 Kuala Lumpur (Malaysia)

    2016-04-14

    We report absolute experimental integral cross sections (ICSs) for electron impact excitation of bands of electronic-states in furfural, for incident electron energies in the range 20–250 eV. Wherever possible, those results are compared to corresponding excitation cross sections in the structurally similar species furan, as previously reported by da Costa et al. [Phys. Rev. A 85, 062706 (2012)] and Regeta and Allan [Phys. Rev. A 91, 012707 (2015)]. Generally, very good agreement is found. In addition, ICSs calculated with our independent atom model (IAM) with screening corrected additivity rule (SCAR) formalism, extended to account for interference (I) terms that arise due to the multi-centre nature of the scattering problem, are also reported. The sum of those ICSs gives the IAM-SCAR+I total cross section for electron–furfural scattering. Where possible, those calculated IAM-SCAR+I ICS results are compared against corresponding results from the present measurements with an acceptable level of accord being obtained. Similarly, but only for the band I and band II excited electronic states, we also present results from our Schwinger multichannel method with pseudopotentials calculations. Those results are found to be in good qualitative accord with the present experimental ICSs. Finally, with a view to assembling a complete cross section data base for furfural, some binary-encounter-Bethe-level total ionization cross sections for this collision system are presented.

  12. Integral elastic, electronic-state, ionization, and total cross sections for electron scattering with furfural

    International Nuclear Information System (INIS)

    Jones, D. B.; Costa, R. F. da; Varella, M. T. do N.; Bettega, M. H. F.; Lima, M. A. P.; Blanco, F.; García, G.; Brunger, M. J.

    2016-01-01

    We report absolute experimental integral cross sections (ICSs) for electron impact excitation of bands of electronic-states in furfural, for incident electron energies in the range 20–250 eV. Wherever possible, those results are compared to corresponding excitation cross sections in the structurally similar species furan, as previously reported by da Costa et al. [Phys. Rev. A 85, 062706 (2012)] and Regeta and Allan [Phys. Rev. A 91, 012707 (2015)]. Generally, very good agreement is found. In addition, ICSs calculated with our independent atom model (IAM) with screening corrected additivity rule (SCAR) formalism, extended to account for interference (I) terms that arise due to the multi-centre nature of the scattering problem, are also reported. The sum of those ICSs gives the IAM-SCAR+I total cross section for electron–furfural scattering. Where possible, those calculated IAM-SCAR+I ICS results are compared against corresponding results from the present measurements with an acceptable level of accord being obtained. Similarly, but only for the band I and band II excited electronic states, we also present results from our Schwinger multichannel method with pseudopotentials calculations. Those results are found to be in good qualitative accord with the present experimental ICSs. Finally, with a view to assembling a complete cross section data base for furfural, some binary-encounter-Bethe-level total ionization cross sections for this collision system are presented.

  13. Quantum beats from the coherent interaction of hole states with surface state in near-surface quantum well

    Energy Technology Data Exchange (ETDEWEB)

    Khan, Salahuddin; Jayabalan, J., E-mail: jjaya@rrcat.gov.in; Chari, Rama; Pal, Suparna [Laser Physics Applications Section, Raja Ramanna Centre for Advanced Technology, Indore 452013 (India); Porwal, Sanjay; Sharma, Tarun Kumar; Oak, S. M. [Semiconductor Physics and Devices Lab., Solid State Laser Division, Raja Ramanna Centre for Advanced Technology, Indore 452013 (India)

    2014-08-18

    We report tunneling assisted beating of carriers in a near-surface single GaAsP/AlGaAs quantum well using transient reflectivity measurement. The observed damped oscillating signal has a period of 120 ± 6 fs which corresponds to the energy difference between lh1 and hh2 hole states in the quantum well. Comparing the transient reflectivity signal at different photon energies and with a buried quantum well sample, we show that the beating is caused by the coherent coupling between surface state and the hole states (lh1 and hh2) in the near-surface quantum well. The dependence of decay of coherence of these tunneling carriers on the excitation fluence is also reported. This observation on the coherent tunneling of carrier is important for future quantum device applications.

  14. Quantum beats from the coherent interaction of hole states with surface state in near-surface quantum well

    International Nuclear Information System (INIS)

    Khan, Salahuddin; Jayabalan, J.; Chari, Rama; Pal, Suparna; Porwal, Sanjay; Sharma, Tarun Kumar; Oak, S. M.

    2014-01-01

    We report tunneling assisted beating of carriers in a near-surface single GaAsP/AlGaAs quantum well using transient reflectivity measurement. The observed damped oscillating signal has a period of 120 ± 6 fs which corresponds to the energy difference between lh1 and hh2 hole states in the quantum well. Comparing the transient reflectivity signal at different photon energies and with a buried quantum well sample, we show that the beating is caused by the coherent coupling between surface state and the hole states (lh1 and hh2) in the near-surface quantum well. The dependence of decay of coherence of these tunneling carriers on the excitation fluence is also reported. This observation on the coherent tunneling of carrier is important for future quantum device applications.

  15. Electron-phonon interactions and intrinsic nonadiabatic state of superconductors

    International Nuclear Information System (INIS)

    Banacky, Pavol

    2007-01-01

    Study of band structure of YBa 2 Cu 3 O 7 has shown that electron coupling to A g , B 2g and B 3g modes results in fluctuation of saddle point of one of the CuO plane d-pσ band in Y point of 1st BZ across Fermi level. It represents breakdown of adiabatic Born-Oppenheimer approximation and transition of the system into intrinsic nonadiabatic state, ω > E F . Results show that system is stabilized in this state at distorted nuclear geometry. Stabilization effect is mainly due to strong dependence of the electronic motion on instantaneous nuclear momenta. On the lattice scale, the intrinsic nonadiabatic state is geometrically degenerate at broken translation symmetry - system has fluxional nuclear configuration of O2, O3 atoms in CuO planes. It enables formation of mobile bipolarons that can move in the lattice without dissipation. Described effects are absent in non-superconducting YBa 2 Cu 3 O 6

  16. Electron phonon interactions and intrinsic nonadiabatic state of superconductors

    Science.gov (United States)

    Baňacký, Pavol

    2007-09-01

    Study of band structure of YBa 2Cu 3O 7 has shown that electron coupling to A g, B 2g and B 3g modes results in fluctuation of saddle point of one of the CuO plane d-pσ band in Y point of 1st BZ across Fermi level. It represents breakdown of adiabatic Born-Oppenheimer approximation and transition of the system into intrinsic nonadiabatic state, ω > EF. Results show that system is stabilized in this state at distorted nuclear geometry. Stabilization effect is mainly due to strong dependence of the electronic motion on instantaneous nuclear momenta. On the lattice scale, the intrinsic nonadiabatic state is geometrically degenerate at broken translation symmetry - system has fluxional nuclear configuration of O2, O3 atoms in CuO planes. It enables formation of mobile bipolarons that can move in the lattice without dissipation. Described effects are absent in non-superconducting YBa 2Cu 3O 6.

  17. A Novel Low Energy Electron Microscope for DNA Sequencing and Surface Analysis

    Science.gov (United States)

    Mankos, M.; Shadman, K.; Persson, H.H.J.; N’Diaye, A.T.; Schmid, A.K.; Davis, R.W.

    2014-01-01

    Monochromatic, aberration-corrected, dual-beam low energy electron microscopy (MAD-LEEM) is a novel technique that is directed towards imaging nanostructures and surfaces with sub-nanometer resolution. The technique combines a monochromator, a mirror aberration corrector, an energy filter, and dual beam illumination in a single instrument. The monochromator reduces the energy spread of the illuminating electron beam, which significantly improves spectroscopic and spatial resolution. Simulation results predict that the novel aberration corrector design will eliminate the second rank chromatic and third and fifth order spherical aberrations, thereby improving the resolution into the sub-nanometer regime at landing energies as low as one hundred electron-Volts. The energy filter produces a beam that can extract detailed information about the chemical composition and local electronic states of non-periodic objects such as nanoparticles, interfaces, defects, and macromolecules. The dual flood illumination eliminates charging effects that are generated when a conventional LEEM is used to image insulating specimens. A potential application for MAD-LEEM is in DNA sequencing, which requires high resolution to distinguish the individual bases and high speed to reduce the cost. The MAD-LEEM approach images the DNA with low electron impact energies, which provides nucleobase contrast mechanisms without organometallic labels. Furthermore, the micron-size field of view when combined with imaging on the fly provides long read lengths, thereby reducing the demand on assembling the sequence. Experimental results from bulk specimens with immobilized single-base oligonucleotides demonstrate that base specific contrast is available with reflected, photo-emitted, and Auger electrons. Image contrast simulations of model rectangular features mimicking the individual nucleotides in a DNA strand have been developed to translate measurements of contrast on bulk DNA to the detectability of

  18. A novel low energy electron microscope for DNA sequencing and surface analysis.

    Science.gov (United States)

    Mankos, M; Shadman, K; Persson, H H J; N'Diaye, A T; Schmid, A K; Davis, R W

    2014-10-01

    Monochromatic, aberration-corrected, dual-beam low energy electron microscopy (MAD-LEEM) is a novel technique that is directed towards imaging nanostructures and surfaces with sub-nanometer resolution. The technique combines a monochromator, a mirror aberration corrector, an energy filter, and dual beam illumination in a single instrument. The monochromator reduces the energy spread of the illuminating electron beam, which significantly improves spectroscopic and spatial resolution. Simulation results predict that the novel aberration corrector design will eliminate the second rank chromatic and third and fifth order spherical aberrations, thereby improving the resolution into the sub-nanometer regime at landing energies as low as one hundred electron-Volts. The energy filter produces a beam that can extract detailed information about the chemical composition and local electronic states of non-periodic objects such as nanoparticles, interfaces, defects, and macromolecules. The dual flood illumination eliminates charging effects that are generated when a conventional LEEM is used to image insulating specimens. A potential application for MAD-LEEM is in DNA sequencing, which requires high resolution to distinguish the individual bases and high speed to reduce the cost. The MAD-LEEM approach images the DNA with low electron impact energies, which provides nucleobase contrast mechanisms without organometallic labels. Furthermore, the micron-size field of view when combined with imaging on the fly provides long read lengths, thereby reducing the demand on assembling the sequence. Experimental results from bulk specimens with immobilized single-base oligonucleotides demonstrate that base specific contrast is available with reflected, photo-emitted, and Auger electrons. Image contrast simulations of model rectangular features mimicking the individual nucleotides in a DNA strand have been developed to translate measurements of contrast on bulk DNA to the detectability of

  19. Electron spectroscopic study of electronic and morphological modifications of the WSe{sub 2} surface induced by Rb adsorption

    Energy Technology Data Exchange (ETDEWEB)

    Buck, Jens

    2010-07-20

    The rubidium-covered surface of the semiconducting transition metal dichalcogenide tungsten diselenide (WSe{sub 2}) is examined using photoelectron spectroscopy (PES) and photoemission electron microscopy (PEEM). Adsorbed Rb is known to induce a variety of effects in this system concerning electronic, structural, and mechanical properties. In this work, the surface potential created by charge transfer upon Rb deposition is examined in thermal equilibrium (band bending) and stationary non-equilibrium (surface photovoltage (SPV) effect), which is induced by the absorption of light. It is shown that combined measurements and numerical simulations of the SPV effect as a function of the photon flux can be exploited for the estimation of many material parameters of the system, especially of the unoccupied adsorbate state. Issues of extending a conventional photoelectron spectrometer setup by a secondary light source will be discussed in the context of simulations and calibration measurements. The customization of an existing theoretical model of the SPV effect for the WSe{sub 2}: Rb system is introduced, and a comprehensive validation of the obtained predictions is given in the context of experimental data. In addition, the self-organized formation of Rb domains at room temperature was examined by application of spatially resolved XPS spectroscopy using the PEEM setup at the end station of beamline UE49/PGMa at the BESSY II synchrotron facility. From the obtained results, the arrangement of Rb in surface lattices can be concluded. Furthermore, an X-Ray absorption study of self-organized nanostructure networks, aiming at the chemical characterization, is presented. Based on the interpretation of the examined structures as tension-induced cracks, a statistical approach to analyzing large-scale features was pursued. First accordance with the predictions made by a primitive, mechanical model of crack creation developed here gives gives some evidence for the validity of the

  20. Electron spectroscopic study of electronic and morphological modifications of the WSe2 surface induced by Rb adsorption

    International Nuclear Information System (INIS)

    Buck, Jens

    2010-01-01

    The rubidium-covered surface of the semiconducting transition metal dichalcogenide tungsten diselenide (WSe 2 ) is examined using photoelectron spectroscopy (PES) and photoemission electron microscopy (PEEM). Adsorbed Rb is known to induce a variety of effects in this system concerning electronic, structural, and mechanical properties. In this work, the surface potential created by charge transfer upon Rb deposition is examined in thermal equilibrium (band bending) and stationary non-equilibrium (surface photovoltage (SPV) effect), which is induced by the absorption of light. It is shown that combined measurements and numerical simulations of the SPV effect as a function of the photon flux can be exploited for the estimation of many material parameters of the system, especially of the unoccupied adsorbate state. Issues of extending a conventional photoelectron spectrometer setup by a secondary light source will be discussed in the context of simulations and calibration measurements. The customization of an existing theoretical model of the SPV effect for the WSe 2 : Rb system is introduced, and a comprehensive validation of the obtained predictions is given in the context of experimental data. In addition, the self-organized formation of Rb domains at room temperature was examined by application of spatially resolved XPS spectroscopy using the PEEM setup at the end station of beamline UE49/PGMa at the BESSY II synchrotron facility. From the obtained results, the arrangement of Rb in surface lattices can be concluded. Furthermore, an X-Ray absorption study of self-organized nanostructure networks, aiming at the chemical characterization, is presented. Based on the interpretation of the examined structures as tension-induced cracks, a statistical approach to analyzing large-scale features was pursued. First accordance with the predictions made by a primitive, mechanical model of crack creation developed here gives gives some evidence for the validity of the proposed

  1. Fractal structure formation on the surfaces of solids subjected to high intensity electron and ion treatment

    International Nuclear Information System (INIS)

    Altajskij, M.V.; Ivanov, V.V.; Korenev, S.A.; Orelovich, O.L.; Puzynin, I.V.; Chernik, V.V.

    1997-01-01

    We discuss the results of scanning electron microscopy of surfaces of the solids subjected to high intensity electron and ion beam treatment. The appearance of fractal structures on the modified surfaces is shown. The fractal dimensions of these structures were estimated by box-counting algorithm

  2. Numerical study on formation process of helical nonneutral plasmas using electron injection from outside magnetic surfaces

    International Nuclear Information System (INIS)

    Nakamura, Kazutaka; Himura, Haruhiko; Masamune, Sadao; Sanpei, Akio; Isobe, Mitsutaka

    2009-01-01

    In order to investigate the formation process of helical nonneutral plasmas, we calculate the orbits of electron injected in the stochastic magnetic field when the closed helical magnetic surfaces is correspond with the equipotential surfaces. Contrary to the experimental observation, there are no electrons inward penetrating. (author)

  3. Hydrogen treatment as a detergent of electronic trap states in lead chalcogenide nanoparticles

    Science.gov (United States)

    Voros, Marton; Brawand, Nicholas; Galli, Giulia

    Lead chalcogenide (PbX) nanoparticles are promising materials for solar energy conversion. However, the presence of trap states in their electronic gap limits their usability, and developing a universal strategy to remove trap states is a persistent challenge. Using calculations based on density functional theory, we show that hydrogen acts as an amphoteric impurity on PbX nanoparticle surfaces; hydrogen atoms may passivate defects arising from ligand imbalance or off-stoichiometric surface terminations, irrespective of whether they originate from cation or anion excess. In addition, we show, using constrained density functional theory calculations, that hydrogen treatment of defective nanoparticles is also beneficial for charge transport in films. We also find that hydrogen adsorption on stoichiometric nanoparticles leads to electronic doping, preferentially n-type. Our findings suggest that post-synthesis hydrogen treatment of lead chalcogenide nanoparticle films is a viable approach to reduce electronic trap states or to dope well-passivated films. Work supported by the Center for Advanced Solar Photophysics, an Energy Frontier Research Center funded by the US Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences (NB) and U.S. DOE under Contract No. DE-AC02-06CH11357 (MV).

  4. The role of (sub)-surface oxygen on the surface electronic structure of hydrogen terminated (100) CVD diamond

    NARCIS (Netherlands)

    Deferme, W.; Tanasa, G.; Amir, J.; Haenen, K.; Nesladek, M.; Flipse, C.F.J.

    2006-01-01

    In this work, scanning tunnelling microscopy (STM) and scanning tunnelling spectroscopy (STS) were applied to investigate the surface morphol. and the surface electronic structure of plasma-treated (100)-oriented CVD diamond films. These films were hydrogenated using a conventional MWPE-CVD

  5. Electron attenuation anisotropy at crystal surfaces from LEED

    Czech Academy of Sciences Publication Activity Database

    Romanyuk, Olexandr; Bartoš, Igor

    2009-01-01

    Roč. 603, č. 17 (2009), s. 2789-2792 ISSN 0039-6028 R&D Projects: GA ČR GA202/07/0601; GA AV ČR IAA100100628 Institutional research plan: CEZ:AV0Z10100521 Keywords : electron attenuation length, low energy electron diffraction, photoelectron diffraction, electron–solid scattering and transmission, copper * low energy electron diffraction * photoelectron diffraction * electron–solid scattering and transmission * copper Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.798, year: 2009 http://dx.doi.org/10.1016/j.susc.2009.07.024

  6. Solid state lasers: a major direction in quantum electronics

    International Nuclear Information System (INIS)

    Shcherbakov, I.A.

    2004-01-01

    The aim of the report is to analyze development of solid-state lasers (SSL) as one of the most important avenues of the quantum electronics. The obtained intensity of a laser radiation at the focus equal to 5x10 1 0 W/cm 2 (the field intensity equal to about 5x10 1 0 V/cm 2 ) is noted to enable to observe nonlinear quantum- electrodynamic effects. Besides, one managed to increase the SSL efficiency conventionally equal to maximum 3% up to 48-50%. Paper describes new types of SSLs, namely, the crystalline fiber lasers with the lateral gradient of the index of refraction [ru

  7. Parallelization for first principles electronic state calculation program

    International Nuclear Information System (INIS)

    Watanabe, Hiroshi; Oguchi, Tamio.

    1997-03-01

    In this report we study the parallelization for First principles electronic state calculation program. The target machines are NEC SX-4 for shared memory type parallelization and FUJITSU VPP300 for distributed memory type parallelization. The features of each parallel machine are surveyed, and the parallelization methods suitable for each are proposed. It is shown that 1.60 times acceleration is achieved with 2 CPU parallelization by SX-4 and 4.97 times acceleration is achieved with 12 PE parallelization by VPP 300. (author)

  8. Large optical conductivity of Dirac semimetal Fermi arc surface states

    Science.gov (United States)

    Shi, Li-kun; Song, Justin C. W.

    2017-08-01

    Fermi arc surface states, a hallmark of topological Dirac semimetals, can host carriers that exhibit unusual dynamics distinct from that of their parent bulk. Here we find that Fermi arc carriers in intrinsic Dirac semimetals possess a strong and anisotropic light-matter interaction. This is characterized by a large Fermi arc optical conductivity when light is polarized transverse to the Fermi arc; when light is polarized along the Fermi arc, Fermi arc optical conductivity is significantly muted. The large surface spectral weight is locked to the wide separation between Dirac nodes and persists as a large Drude weight of Fermi arc carriers when the system is doped. As a result, large and anisotropic Fermi arc conductivity provides a novel means of optically interrogating the topological surfaces states of Dirac semimetals.

  9. The effect of hot electrons and surface plasmons on heterogeneous catalysis

    International Nuclear Information System (INIS)

    Kim, Sun Mi; Lee, Si Woo; Moon, Song Yi; Park, Jeong Young

    2016-01-01

    Hot electrons and surface-plasmon-driven chemistry are amongst the most actively studied research subjects because they are deeply associated with energy dissipation and the conversion processes at the surface and interfaces, which are still open questions and key issues in the surface science community. In this topical review, we give an overview of the concept of hot electrons or surface-plasmon-mediated hot electrons generated under various structural schemes (i.e. metals, metal–semiconductor, and metal–insulator–metal) and their role affecting catalytic activity in chemical reactions. We highlight recent studies on the relation between hot electrons and catalytic activity on metallic surfaces. We discuss possible mechanisms for how hot electrons participate in chemical reactions. We also introduce controlled chemistry to describe specific pathways for selectivity control in catalysis on metal nanoparticles. (topical review)

  10. Surface roughness induced electron mobility degradation in InAs nanowires

    International Nuclear Information System (INIS)

    Wang Fengyun; Yip, Sen Po; Han, Ning; Fok, KitWa; Lin, Hao; Hou, Jared J; Dong, Guofa; Hung, Tak Fu; Chan, K S; Ho, Johnny C

    2013-01-01

    In this work, we present a study of the surface roughness dependent electron mobility in InAs nanowires grown by the nickel-catalyzed chemical vapor deposition method. These nanowires have good crystallinity, well-controlled surface morphology without any surface coating or tapering and an excellent peak field-effect mobility up to 15 000 cm 2 V −1 s −1 when configured into back-gated field-effect nanowire transistors. Detailed electrical characterizations reveal that the electron mobility degrades monotonically with increasing surface roughness and diameter scaling, while low-temperature measurements further decouple the effects of surface/interface traps and phonon scattering, highlighting the dominant impact of surface roughness scattering on the electron mobility for miniaturized and surface disordered nanowires. All these factors suggest that careful consideration of nanowire geometries and surface condition is required for designing devices with optimal performance. (paper)

  11. Novel Structures for the Excess Electron State of the Water Hexamer and the Interaction Forces Governing the Structures

    International Nuclear Information System (INIS)

    Lee, S.; Kim, J.; Lee, S.J.; Kim, K.S.

    1997-01-01

    The geometrical and electronic structures of partially hydrated electron systems, in particular, the water hexamer, which have been controversial for decades, have been clarified by an exhaustive search for possible low-lying energy structures. Several competing interaction forces governing the conformation have been examined for the first time. The low-lying energy structures are hybrid (or partially internal and partially surface) excess electron states. Our prediction is evidenced from excellent agreements with available experimental data. The vertical electron-detachment energies are mainly determined by the number of dangling H atoms (H d ) . copyright 1997 The American Physical Society

  12. Electronic excitation of Ti atoms sputtered by energetic Ar+ and He+ from clean and monolayer oxygen covered surfaces

    International Nuclear Information System (INIS)

    Pellin, M.J.; Gruen, D.M.; Young, C.E.; Wiggins, M.D.; Argonne National Lab., IL

    1983-01-01

    Electronic excitation of Ti atoms ejected during energetic ion bombardment (Ar + , He + ) of well characterized clean and oxygen covered polycrystalline Ti metal surfaces has been determined. For states with 0 to 2 eV and 3 to 5.5 eV of electronic energy, static mode laser fluorescence spectroscopy (LFS) and static mode spontaneous fluorescence spectroscopy (SFS) were used respectively. These experiments which were carried out in a UHV ( -10 Torr) system equipped with an Auger spectrometer provide measurements of the correlation between oxygen coverage (0 to 3 monolayers) and the excited state distribution of sputtered Ti atoms. The experimentally determined electronic partition function of Ti atoms does not show an exponential dependence on energy (E) above the ground state but rather an E -2 or E -3 power law dependence. (orig.)

  13. Nonadiabaticity and single-electron transport driven by surface acoustic waves

    DEFF Research Database (Denmark)

    Flensberg, Karsten; Niu, Q.; Pustilnik, M.

    1999-01-01

    Single-electron transport driven by surface acoustic waves (SAW) through a narrow constriction, formed in a two-dimensional electron gas, is studied theoretically. Due to long-range Coulomb interaction, the tunneling coupling between the electron gas and the moving minimum of the SAW...

  14. The role of substrate electrons in the wetting of a metal surface

    DEFF Research Database (Denmark)

    Schiros, T.; Takahashi, O.; Andersson, Klas Jerker

    2010-01-01

    We address how the electronic and geometric structures of metal surfaces determine water-metal bonding by affecting the balance between Pauli repulsion and electrostatic attraction. We show how the rigid d-electrons and the softer s-electrons utilize different mechanisms for the redistribution...

  15. Research project AUS-10370/CF: electron impact ionization and surface induced reactions of edge plasma constituents

    International Nuclear Information System (INIS)

    Maerk, T.D.

    1999-01-01

    In order to better understand elementary reactions which are taking place at the plasma edge of thermonuclear fusion devices, three areas of research were persuaded: I) Experimental studies about electron ionization of neutrals and ions and electron attachment to molecules, II) Theoretical studies about electron ionisation of neutrals and ions and III) Reactive interaction of molecular ions with surfaces

  16. Modeling the high-energy electronic state manifold of adenine: Calibration for nonlinear electronic spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Nenov, Artur, E-mail: Artur.Nenov@unibo.it; Giussani, Angelo; Segarra-Martí, Javier; Jaiswal, Vishal K. [Dipartimento di Chimica “G. Ciamician,” Università di Bologna, Via Selmi 2, IT-40126 Bologna (Italy); Rivalta, Ivan [Université de Lyon, CNRS, Institut de Chimie de Lyon, École Normale Supérieure de Lyon, 46 Allée d’Italie, F-69364 Lyon Cedex 07 (France); Cerullo, Giulio [Dipartimento di Fisica, Politecnico di Milano, IFN-CNR, Piazza Leonardo Da Vinci 32, IT-20133 Milano (Italy); Mukamel, Shaul [Department of Chemistry, University of California, Irvine, California 92697-2025 (United States); Garavelli, Marco, E-mail: marco.garavelli@unibo.it, E-mail: marco.garavelli@ens-lyon.fr [Dipartimento di Chimica “G. Ciamician,” Università di Bologna, Via Selmi 2, IT-40126 Bologna (Italy); Université de Lyon, CNRS, Institut de Chimie de Lyon, École Normale Supérieure de Lyon, 46 Allée d’Italie, F-69364 Lyon Cedex 07 (France)

    2015-06-07

    Pump-probe electronic spectroscopy using femtosecond laser pulses has evolved into a standard tool for tracking ultrafast excited state dynamics. Its two-dimensional (2D) counterpart is becoming an increasingly available and promising technique for resolving many of the limitations of pump-probe caused by spectral congestion. The ability to simulate pump-probe and 2D spectra from ab initio computations would allow one to link mechanistic observables like molecular motions and the making/breaking of chemical bonds to experimental observables like excited state lifetimes and quantum yields. From a theoretical standpoint, the characterization of the electronic transitions in the visible (Vis)/ultraviolet (UV), which are excited via the interaction of a molecular system with the incoming pump/probe pulses, translates into the determination of a computationally challenging number of excited states (going over 100) even for small/medium sized systems. A protocol is therefore required to evaluate the fluctuations of spectral properties like transition energies and dipole moments as a function of the computational parameters and to estimate the effect of these fluctuations on the transient spectral appearance. In the present contribution such a protocol is presented within the framework of complete and restricted active space self-consistent field theory and its second-order perturbation theory extensions. The electronic excited states of adenine have been carefully characterized through a previously presented computational recipe [Nenov et al., Comput. Theor. Chem. 1040–1041, 295-303 (2014)]. A wise reduction of the level of theory has then been performed in order to obtain a computationally less demanding approach that is still able to reproduce the characteristic features of the reference data. Foreseeing the potentiality of 2D electronic spectroscopy to track polynucleotide ground and excited state dynamics, and in particular its expected ability to provide

  17. Bound states in strongly correlated magnetic and electronic systems

    International Nuclear Information System (INIS)

    Trebst, S.

    2002-02-01

    A novel strong coupling expansion method to calculate two-particle spectra of quantum lattice models is developed. The technique can be used to study bosonic and fermionic models and in principle it can be applied to systems in any dimension. A number of strongly correlated magnetic and electronic systems are examined including the two-leg spin-half Heisenberg ladder, the dimerized Heisenberg chain with a frustrating next-nearest neighbor interaction, coupled Heisenberg ladders, and the one-dimensional Kondo lattice model. In the various models distinct bound states are found below the two-particle continuum. Quantitative calculations of the dispersion, coherence length and binding energy of these bound states are used to describe spectroscopic experiments on (Ca,La) 14 Cu 24 O 41 and NaV 2 O 5 . (orig.)

  18. Magnetoresistance of tungsten thin wafer at the multichannel surface scattering of conduction electrons

    International Nuclear Information System (INIS)

    Lutsishin, P.P.; Nakhodkin, T.N.

    1982-01-01

    The magnetoresistance of tungsten thin wafer with the (110) surface was studied at the adsorption of tungsten dioxide. The method of low-energy electron diffraction was used to study the symmetry of ordered surface structures. Using the method of the magnetoresistance measurement the character of the scattering of conduction electrons was investigated. THe dependence of magnetoresistance on the surface concentration of tungsten dioxide correlated w1th the structure of the surface layer of atoms, what was explained with allowance for diffraction of conduction electrons at the metal boundary. The magnetoresistance maximum for the (2x2) structure, which characterised decrease in surface conduction under the conditions of static skin effect, was explained by multichannel mirror reflection with the recombinations of electron and ho.le sections of Fermi Surface

  19. Electron induced conformational changes of an imine-based molecular switch on a Au(111) surface

    Energy Technology Data Exchange (ETDEWEB)

    Lotze, Christian; Henningsen, Nils; Franke, Katharina; Schulze, Gunnar; Pascual, Jose Ignacio [Inst. f. Experimentalphysik, Freie Universitaet Berlin (Germany); Luo, Ying; Haag, Rainer [Inst. f. Organische Chemie, Freie Universitaet Berlin (Germany)

    2009-07-01

    Azobenzene-based molecules exhibit a cis-trans configurational photoisomerisation in solution. Recently, the adsorption properties of azobenzene derivatives have been investigated on different metal surfaces in order to explore the possible changes in the film properties induced by external stimuli. In azobenzene, the diazo-bridge is a key group for the isomerization process. Its interaction with a metal surface is dominated through the N lone-pair electrons, which reduces the efficiency of the conformational change. In order to reduce the molecule-surface interaction, we explore an alternative molecular architecture by substituting the diazo-bridge (-N=N-) of azobenzene by an imine-group (-N=CH-). We have investigated the imine-based compound para-carboxyl-di-benzene-imine (PCI) adsorbed on a Au(111) surface. The carboxylic terminations mediates the formation of strongly bonded molecular dimers, which align in ordered rows preferentially following the fcc regions of the Au(111) herringbone reconstruction. Low temperature scanning tunneling microscopy was used to induce conformational changes between trans and cis state of individual molecules in a molecular monolayer.

  20. Electron paramagnetic resonance detection of carotenoid triplet states

    International Nuclear Information System (INIS)

    Frank, H.A.; Bolt, J.D.; deCosta, S.M.; Sauer, K.

    1980-01-01

    Triplet states of carotenoids have been detected by X-band electron paramagnetic resonance (EPR) and are reported here for the first time. The systems in which carotenoid triplets are observed include cells of photosynthetic bacteria, isolated bacteriochlorophyll-protein complexes, and detergent micelles which contain β-carotene. It is well known that if electron transfer is blocked following the initial acceptor in the bacterial photochemical reaction center, back reaction of the primary radical pair produces a bacteriochlorophyll dimer triplet. Previous optical studies have shown that in reaction centers containing carotenoids the bacteriochlorophyll dimer triplet sensitizes the carotenoid triplet. We have observed this carotenoid triplet state by EPR in reaction centers of Rhodopseudomonas sphaeroides, strain 2.4.1 (wild type), which contain the carotenoid spheroidene. The zero-field splitting parameters of the triplet spectrum are /D/ = 0.0290 +- 0.0005 cm -1 and /E/ = 0.0044 +-0.0006 cm -1 , in contrast with the parameters of the bacteriochlorophyll dimer triplet, which are /D/ = 0.0189 +- 0.0004 cm -1 and /E/ = 0.0032 +- 0.004 cm -1 . Bacteriochlorophyll in a light harvesting protein complex from Rps. sphaeroides, wild type, also sensitizes carotenoid triplet formation. In whole cells the EPR spectra vary with temperature between 100 and 10 K. Carotenoid triplets also have been observed by EPR in whole cells of Rps. sphaeroides and cells of Rhodospirillum rubrum which contain the carotenoid spirilloxanthin. Attempts to observe the triplet state EPR spectrum of β-carotene in numerous organic solvents failed. However, in nonionic detergent micelles and in phospholipid bilayer vesicles β-carotene gives a triplet state spectrum with /D/ = 0.0333 +- 0.0010 cm -1 and /E/ = 0.0037 +- 0.0010 cm -1 . 6 figures, 1 table