Core level binding energy shifts in Ni on Au and Au on Ni overlayers

Core level binding energy shifts of the Ni-2p and Au-4? lines have been measured for Ni on Au and Au on Ni overlayers down to mean coverages of less than 0.1 monolayers. When normalized to the maximum shift at submonolayer coverage the Ni on Au and Au on Ni shifts show the same dependence as function of the monolayer coverage. Using the thermodynamical approach for the calculation of binding energy shifts in metals, recently developed by Mårtensson and Johansson, the submonolayer shifts together with experimental results of core level binding energy shifts in dilute NiAu and AuNi alloys are used to calculate surface segregation energies in these alloys. They are compared with semiempirical determinations of these energies by Seah.     

动量空间中能质子-12C弹性散射截面和自旋量的研究

在KMT理论框架下，应用微观的动量空间一级光学势，包括了库仑修正，自旋关联，NN振幅反对称，离壳效应，核子反冲和结合能转换，Lorentz不变的角变换.在整个中能区域系统地计算了质子-¹²C弹性散射微分截面和自旋观测量，并与实验数据及Glauber理论框架下或已有的其他理论计算结果做了比较，其结果显示，在200—1000MeV，该理论与实验结论符合程度较好.     

Raman scattering studies of hexagonal rare‐earth RMnO3 (R = Tb,Dy, Ho,Er) thin films

We have studied the rare‐earth (R) dependence of the phonon and magnon scattering in hexagonal RMnO₃ (R = Tb, Dy, Ho, Er) thin films using Raman scattering spectroscopy. We found, as the ionic radius of R decreases from Tb to Er, the phonons shift to higher energies. Our results indicate that both the lattice constants a and c of hexagonal RMnO₃ would decrease when the ionic radius of R decreases, and the lattice constant c would have a weaker R dependence. The magnons also shift to higher energies when the radius of the R ion decreases, and they show faster upshift than the phonons. In addition, the Néel temperature also shows a systematic increasing behavior when the radius of the R ion decreases. The dependence of the rare‐earth R on the magnons and the Néel temperature can be explained by the rapid increase of the spin‐exchange integral when the Mn–Mn distance decreases. Copyright © 2011 John Wiley & Sons, Ltd.     

Valence and core state modifications in Pt3Ti

XPS data for the valence band, the Pt 4? states, and the Ti 2p states are presented for the intermetallic Pt₃Ti. Relative to the Pt valence band, the Pt₃Ti band shows a decrease in the density of states just below the Fermi level and a shift of the centroid to higher (binding) energy. Ti 2p and Pt 4? binding energies showed relatively large shifts with respect to the pure metals. These changes in the valence band density of states and core level binding energies are interpreted as arising from hybridization of the d-orbitals in both metals to form strong intermetallic bonds.     

The elastic scattering of polarized 3He by 3He and excitation in the 6Be system

Angular distributions of the polarization in the elastic scattering of ³He by ³He have been measured at eight energies between 18 and 33 MeV, corresponding to excitation of ⁶Be between 20.5 and 28 MeV. The measurements were made using the 33 MeV polarised ³He beam at the University of Birmingham Radial Ridge cyclotron and a small gas target. The data have been analysed in terms of real and complex phase shifts. The deduced phase shift energy dependence cannot be associated with a single isolated level in ⁶Be, however an application of the two-level R-matrix formula reveals some broad L = 3 structures around E_x = 25 MeV.     

The effects of the lithium intercalation on the X-ray photoelectron spectra of NiPS3

Summary A detailed XPS study of the lithium-intercalated NiPS₃ specimens was performed at the 2p, 3p, 3s core levels of the nickel atoms and at the 2p core levels of the sulphur and phosphorous atoms for various lithium contents. Comparison of the Ni 2p, 3p and 3s XPS spectra corresponding to NiPS₃ and Li _x NiPS₃ systems shows some evident trends. In particular, a shift of the Ni main line towards lower binding energies, a decrease in the intensity of the Ni 3p, 2p satellite structures and a change in the full width at half maximum of the Ni 3s band with lithium content are observed. All these findings suggest a change in the 3d electron configuration for high lithium concentrations. As regards the cluster (P₂S₆)⁴⁻, with the addition of lithium, a P 2p main line shift towards higher binding energies is noted, while the S 2p peak shifts towards lower binding energies. These results are discussed in comparison with previous physical measurements concerning the nickel reduction process and the related electronic modifications. The authors of this paper have agreed to not receive the proofs for correction.     

Influence of an electrostatic potential at the metal/electrolyte interface on the electron binding energy of adsorbates as probed by X-ray photoelectron spectroscopy

We present a study of the influence of an electrostatic potential across the Au(1 1 1)/4,4′-dithiodipyridine (PySSPy)-SAM/0.01 M NaOH interface on the electron binding energies of the N 1s and S 2p orbitals of the adsorbate, as probed by X-ray photoelectron spectroscopy (XPS). The observed systematic binding energy shift for N(1s) with electrode potential of −0.9 eV/V has been assigned to a so-called electrochemical shift, i.e., an apparent shift of the binding energy due to the potential drop in the electric double layer. No systematical shift was observed for the S(2p) core level of the thiol with electrode potential. The results are contrasted by measurements in 0.1 M H₂SO₄, where no electrochemical shift was found for the protonated nitrogen.     

The Three-Boson System at Next-to-Next-to-Leading Order

We discuss effective field-theory treatments of the problem of three particles interacting via short-range forces (range R ≪ a ₂, with a ₂ the two-body scattering length). We show that forming a once-subtracted scattering equation yields a scattering amplitude whose low-momentum part is renormalization-group invariant up to corrections of O(R ³/a ₂ ³). Since corrections of O(R/a ₂) and O(R ²/a ₂ ²) can be straightforwardly included in the integral equation’s kernel, a unique solution for 1 + 2 scattering phase shifts and three-body bound-state energies can be obtained up to this accuracy. We use our equation to calculate the correlation between the binding energies of Helium-4 trimers and the atom-dimer scattering length. Our results are in excellent agreement with recent three-dimensional Faddeev calculations that used phenomenological inter-atomic potentials.     

The effect of gold on platinum oxidation in homogeneous Au-Pt electrocatalysts

Oxidation of Au-Pt thin films was carried out in ambient air at room temperature and characterized by X-ray photoelectron spectroscopy. The homogeneous films were prepared by RF co-sputtering with concentrations varying from Au₉Pt₉₁ to Au₈₉Pt₁₁ and compared to pure Pt and Au thin films. Spectral deconvolution of the Au 4f and Pt 4f core levels revealed linear peak shifts for both the Au-Au and Pt-Pt bonding components as a function of alloy mixture and metallic component peak asymmetry that remained constant for all alloy stoichiometries. The predominant oxidation products were PtO and PtO₂ and were characterized by stable core level binding energies for all films. A gradual decline in the Pt-O_x products and corresponding levels of elemental oxygen was observed with increasing Au content but was similar in proportion to the metallic Pt components. Based on these results, variations in Pt oxide phases and/or concentration do not appear to contribute to enhanced electrocatalytic activity for oxygen reduction observed for the intermediate alloy stoichiometries.     

The proton optical-model potential near the Coulomb barrier

Proton elastic scattering data from ¹⁹⁷Au, ²⁰⁸Pb and ²⁰⁹Bi at energies near the Coulomb barrier are analyzed. The energy dependences of the real volume and imaginary surface-derivative potential depths V_R and W_SF of a local optical-model potential with fixed geometric parameters are found to be much more rapid than at higher energies. The strong energy dependence of V_Rnear the Coulomb barrier is explained in terms of the non-locality of the nucleon-nucleus interaction.     

Study of the glass transition order parameter in amorphous polybutadiene by incoherent neutron scattering

The temperature dependent elastic incoherent scattering from a glass forming polybutadiene was studied using high resolution neutron spectroscopy. This elastic scattering measures directly the non-ergodicity order parameter of the glass transition. We observed an anomalous decrease of this scattering setting in around 30 K below the thermodynamic glass transition,T _g , the temperature dependence of which is in agreement with the square root ofT prediction of the mode coupling approach. The critical temperature of 220 K lies about 30 K aboveT _g . The missing elastic intensity reappears as inelastic scattering in the 1 meV range. Within the eV resolution of the backscattering spectrometer no quasielastic scattering can be detected up to 20 K aboveT _g . The observed inelastic scattering may be interpreted as resulting from a continous shift of the density of states towards low frequencies as a consequence of a general softening of the structure.     

Elastic scattering of low-energy electrons by a uranium atom: Reliability of theoretical predictions of based on a model description

We used the method of phase functions to solve the radial relativistic Dirac equation and nonrelativistic Schroedinger equation. With these solutions, we investigated the elastic scattering of slow electrons by a uranium atom, and obtained numerical values for the total cross section and elastic scattering phases. In order to check the correctness of the results found from the method of phase functions, in all cases we also solved the Dirac and Schroedinger equations by direct numerical integration. Several types of polarization and exchange potentials were used to simulate the scattering process. We conclude that the strong dependence of the cross section for elastic scattering of an electron by uranium on the shape of the effective potential of the latter at small kinetic energies (E _k<5 eV) makes it impossible to predict the presence or absence of a Ramsauer effect reliably. Zh. éksp. Teor. Fiz. 111, 1214–1228 (April 1997)     

The elastic scattering of 3He on 4He at medium energies

The differential cross section of the elastic scattering ³He(⁴He, ⁴He)³He has been measured at center of mass energies E_c.m. between 28 and 44 MeV and in the c.m. angular range of 20° to 160°. The ³He polarization P at E_c.m. = 42 MeV and θ_c.m. = 132° was determined in a double scattering experiment. The analysis of the cross section data with the optical and the cluster model has been described previously. The phase shifts obtained in the cluster model calculations were used as starting values in a phase shift analysis. The resulting final real phase shifts and elasticity parameters give good fits to the cross section data. At 44 MeV the elasticity parameters show a pronounced odd-even dependence on angular momentum which had been found already in the case of the real phase shifts. The result of the polarization experiment |P| < 0.22 is consistent with cluster model predictions.     

Surface‐enhanced Raman scattering and fluorescence emission of gold nanoparticle–multiwalled carbon nanotube hybrids

Multiwalled carbon nanotubes (MWCNTs) are grafted with gold (Au) nanoparticles of different sizes (1–12 and 1–20 nm) to form Au–MWCNT hybrids. The Au nanoparticles pile up at defect sites on the edges of MWCNTs in the form of chains. The micro‐Raman scattering studies of these hybrids were carried using visible to infrared wavelengths (514.5 and 1064 nm). Enhanced Raman scattering and fluorescence is observed at an excitation wavelength of 514.5 nm. It is found that the graphitic (G) mode intensity enhances by 10 times and down shifts by approximately 3 cm⁻¹ for Au–MWCNT hybrids in comparison with pristine carbon nanotubes. This enhancement in G mode due to surface‐enhanced Raman scattering effect is related to the interaction of MWCNTs with Au nanoparticles. The enhancement in Raman scattering and fluorescence for large size nanoparticles for Au–MWCNTs hybrids is corroborated with localized surface plasmon polaritons. The peak position of localized surface plasmons of Au nanoparticles shifts with the change in environment. Further, no enhancement in G mode was observed at an excitation wavelength of 1064 nm. However, the defect mode (D) mode intensity enhances, and peak position is shifted by approximately 40 cm⁻¹ to lower side at the same wavelength. The enhanced intensity of D mode at 1064 nm excitation wavelength is related to the double resonance phenomenon and shift in the particular mode occurs due to more electron phonon interactions near Fermi level. Copyright © 2012 John Wiley & Sons, Ltd.     

Electronic properties of Au nano-particles supported on stoichiometric and reduced TiO2(1 1 0) substrates

Growth modes and electronic properties were analyzed for Au nano-particles grown on stoichiometric and reduced TiO₂(1 1 0) substrates by medium energy ion scattering (MEIS) and photoelectron spectroscopy(PES) using synchrotron-radiation-light. Initially, two-dimensional islands (2D) with a height of one and two atomic layers grow and higher coverage increases the islands height to form three-dimensional (3D) islands for the stoichiometric TiO₂(1 1 0) substrate. In contrast, 3D islands start to grow from initial stage with a small Au coverage (?0.1 ML, 1 ML = 1.39 × 10¹⁵  atoms/cm²: Au(1 1 1)) probably due to O-vacancies acting as a nucleation site. Above 0.7 ML, all the islands become 3D ones taking a shape of a partial sphere and the Au clusters change to metal for both substrates. We observed the Au 4f and Ti 3p core level shifts together with the valence band spectra. The Ti 3p peak for the O-deficient surface shifts to higher binding energy by 0.25 ± 0.05 eV compared to that for the stoichiometric surface, indicating downward band bending by an electron charge transfer from an O-vacancy induced surface state band to n-type TiO₂ substrate. Higher binding energy shifts of Au 4f peaks observed for both substrates reveal an electron charge transfer from Au to TiO₂ substrates. The work functions of Au nano-particles supported on the stoichiometric and reduced TiO₂ substrates were also determined as a function of Au coverage and explained clearly by the above surface and interface dipoles.     

X-ray photoemission studies on InSb clusters

The changes in core-level electronic structure of In_1−xSb_x nano-clusters have been studied using X-ray photoelectron spectroscopy. Though, clusters with mean composition InSb show shallow and deep core-level binding energies similar to those of bulk InSb, the Sb and In rich versions show a negative BE shift for the excess element and a positive shift for the minority element. The observed BE shifts have been explained considering a core and surface shell model for the structure of the clusters and possible surface atom core-level shifts.     

X-ray Photoelectron Spectroscopy of Sb2S3 Crystals

The paper presents the X-ray photoelectron spectra (XPS) of the valence band and core levels of semiconductor ferroelectric Sb₂S₃ single crystals, which show weak phase transitions and anomalies of various physical properties. The XPS were measured with monochromatized Al K _α radiation in the energy range 0-1450 eV and the temperature range 160-450 K. The valence band is located 0.8-7.5 eV below the Fermi level. Experimental results of the valence band and core levels are compared with the results of theoretical ab initio calculations of the molecular model of Sb₂S₃ crystal. The chemical shifts in Sb₂S₃ crystal for the Sb and S states are obtained. Results revealed that the small structural rearrangements at the phase transition T _c1 = 300 K shift the Fermi level and all electronic spectrum. Also, temperature dependence of a spontaneous polarisation shifts the electronic spectra of the valence band and core levels. Specific temperature-dependent excitations in Sb 3d core levels are also revealed.     

Heat of mixing in HfCxN1−x compounds from XPS core level binding energy shifts

The XPS core level binding energies for the Hf4f_{$\text{7}\text{2}$}, Cls and Nls level in several nearly stoichiometric HfC_xN_1?x compounds are reported. Using the thermochemical model to calculate core level binding energy shifts in metals the heat of mixing as function of the HfC/HfN ratio is calculated from the position of the Cls binding energies. In addition it is shown that the Hf4f_{$\text{7}\text{2}$} and Nls binding energies can be used to obtain further thermochemical data for these compounds.     

Crystalline structure of copper-gold alloys investigated by DEPES: Theoretical approach

We present results of calculations concerning the angle integrated electron emission from crystalline samples as a function of the incidence angle of the primary electron beam. Diffraction processes of primary electrons in directional elastic peak electron spectroscopy (DEPES) were described by the single scattering cluster (SSC) approximation applied to clusters composed of sublattices formed by different atoms. Theoretical polar profiles were calculated for Cu(0 0 1), Au(0 0 1), AuCu(0 0 1), and AuCu₃(0 0 1) in terms of phase shifts, inelastic mean free paths and scattering cross-sections. In calculations a real experimental geometry was considered concerning the acceptance angle of the analyser and polar rotation of the sample. Profiles calculated for particular incident electron beam energies depend on the structure and stoichiometry of crystalline samples. Application of above investigations is discussed in the context of superficial alloy formation and order-disorder transitions associated with the change of the concentration and order of alloy components in first few atomic layers.     

Core-level shifts in metallic compounds

The method of Mårtensson and Johansson to calculate core level shifts in metallic compounds has been extended to general AB compounds by introducing an environment factor ?_B^A. The core level shift is now expressed in the heats of formation of binary compounds weighted by the environment factors. The introduction of the factor ?_B^A also allows to predict the concentration dependence of the core level shifts in alloys. Observed core level shifts are in general agreement with predicted values.