Surface and subsurface distortions of the Au{110}-(1×2) structure

The reconstruction of the Au{110}-(1×2) missing-row surface has been studied by means of the new scattering and recoiling imaging spectrometry (SARIS) technique. The three-dimensional focusing patterns observed for scattering of 4 keV He⁺, Ne⁺ and Ar⁺ ions are highly sensitive to the structure of both the surface and subsurface layers. Classical ion trajectory simulations using the scattering and recoiling imaging code (SARIC) were used to simulate the scattering patterns. Using an R-factor comparison of the experimental and simulated images, it is demonstrated that SARIS is sensitive to changes of the order of 0.02 Å in the structural parameters of this Au surface. These parameters involve interlayer spacings, row pairing and row buckling in the first-through fifth atomic layers. Results for the shallow surface layers are in general agreement with the those of previous studies. The new results include structural parameters for the deeper subsurface layers and the observation of an oscillatory behavior of the layer spacings which is damped towards deeper layers.     

Computational study of low energy ion surface hyperchanneling

Classical ion trajectory simulations using the scattering and recoiling imaging code (SARIC) have been applied to study the low energy ion surface hyperchanneling phenomenon. It was found that the ion-surface interaction geometry, projectile type, surface chemisorbed hydrogen, and phonon amplitudes had a profound effect on the scattered ion trajectories. It is possible to determine the surface Debye temperature through analysis of the scattering yields and angular distributions. The simulations will find application in delineation of classical ion trajectories for specific as well as generic ion surface interactions.     

Surface structure and electron density dependence of scattered Ne ion fractions from the Si(1 0 0)-(2×1) surface

The magnitudes and azimuthal anisotropies of 4 keV Ne⁺ scattered ion fractions from the Si(1 0 0)-(2×1) two-domain surface have been measured by means of time-of-flight scattering and recoiling spectrometry. The absolute values of these ion fractions as well as their dependence on surface structure and electron density have been determined. By investigating the trajectories of the scattered Ne⁺, a clear correlation is demonstrated between these experimentally observed surviving ion fractions of Ne⁺ and the fraction of ions that scatters from the topmost layer of the surface. This is interpreted in terms of a model in which the neutralization probability of Ne⁺ is proportional to the local substrate electronic charge density.     

Computer simulations of ion scattering and recoiling blocking patterns for surface structure analysis

A three-dimensional classical ion trajectory simulation code has been developed and applied to ion scattering and recoiling patterns on a large-area detector. The test systems used for the patterns were as follows: (1) Pt{110})-(1 × 2) and −(1 × 3) as an example of a reconstructed metal surface; (2) Ni{100}, {110}, and {111} surfaces as an example of different crystal faces: and (3) Ni{110}−(2 × 1)−O as an example of adsorbate recoiling. The optimum experimental configurations for collecting data for structural analysis have been considered. Three configurations have been identified; these include collection of both in- and out-of-plane scattering and recoiling data. The anisotropic patterns obtained for the scattered I_S, and recoiled I_R flux in azimuthal δ and exit β angle space are produced by blocking cones and are unique for the specific substrate and adsorbate structures. Critical exit β_c and azimuthal δ_c angles can be identified from these patterns. The interatomic spacings d along specific azimuths are determined from measurements of β_c and δ_c. Simulated patterns for the three test systems listed above are presented and their features are analyzed in terms of the surface structures. The advantages and new features available through the use of large-area detectors are described and compared to conventional ion scattering spectrometry (ISS). In the case of Pt, for which comparable experimental scattering data are available, the agreement between simulations and experimental results is good.     

On the interpretation of rainbow scattering in gas atom/surface collisions

A model is proposed to explain the scattering of thermal energy atoms from surfaces. The model allows the behaviour of the scattering trajectories to be assessed. It is shown that when a collimated beam of Neon atoms is scattered from the LiF(100) surface, the peaks observed in the inplane distribution of scattered atoms versus angle of reflection arise from trajectories with one and two repulsive collisions with the same surface atom.     

Energy transfer in hyperthermal Xe-graphite surface scattering

The scattering of a hyperthermal Xe from a graphite (0001) surface has been studied using a molecular beam-surface scattering technique and molecular dynamics (MD) simulations. The angular and velocity distributions of scattered Xe atoms were measured at incidence energies from 0.45 to 3.5 eV, three incidence angles of 15°, 35° and 60° and the surface temperatures of 300 K and 550 K. The observed time-of-flight spectra exhibit a sharp velocity distribution with only one velocity component, which is ascribed to the direct inelastic scattering process. The angle-resolved energy ratios of the mean final translational energy over the mean incidence energy E_f/E_i agree well with those predicted based on the assumption of the conservation of the momentum parallel to the surface. The Hard-Cube model, where the mass of the cube is approximately 310 u, has reproduced the angle-resolved flux distributions of scattered Xe atoms. In the Hard-Cube model almost 80% of the normal component of the incidence translational energy is found to be lost in collision. The MD simulations reproduce well the experimental results by using the Brenner potential for intralayer C atoms and a Lennard-Jones potential for interlayer C–C pair interactions.     

Structure of monolayer silica on Mo(1 1 2) investigated by rainbow scattering under axial surface channeling

The structure of a monolayer crystalline silica film grown on a Mo(1 1 2) substrate is investigated via grazing scattering of fast atoms. For scattering along low indexed directions in the surface plane (“axial surface channeling”) the corrugation of the interaction potential leads to an azimuthal out-of plane scattering with an intensity enhancement for the maximum deflection angle, the so called “rainbow”. From the comparison of the experimental angular distributions for scattered projectiles with classical trajectory simulations we obtain information on the arrangement of atoms in the topmost surface layer. Our work provides evidence for the structural model of a two-dimensional network for the silica film.     

Application of low energy ion blocking for adsorption site determination of Na Atoms on a Cu(111) surface

Ion blocking in the low keV energy range is demonstrated to be a sensitive method for probing surface adsorption sites by means of the technique of time-of-flight scattering and recoiling spectroscopy (TOF-SARS). Adsorbed atoms can block the nearly isotropic backscattering of primary ions from surface atoms in the outmost layers of a crystal. The relative adsorption site position can be derived unambiguously by simple geometrical constructs between the adsorbed atom site and the surface atom sites. Classical ion trajectory simulations using the scattering and recoiling imaging code (SARIC) and molecular dynamics (MD) simulations provide the detailed ion trajectories. Herein we present a quantitative analysis of the blocking effects produced by sub-monolayer Na adsorbed on a Cu(111) surface at room temperature. The results show that the Na adsorption site preferences are different at different Na coverages. At a coverage θ = 0.25 monolayer, Na atoms preferentially populate the fcc threefold surface sites with a height of 2.7 ± 0.1 Å above the 1st layer Cu atoms. At a lower coverage of θ = 0.10 monolayer, there is no adsorption site preference for the Na atoms on the Cu(111) surface.     

Energy and charge distribution of helium atoms reflected from a Cu surface under grazing incidence

The energy and charge distributions of helium ions and atoms reflected from a Cu surface at grazing incidence have been measured at the energies 250 and 300 keV. The dependence of the relative number of helium atoms in the scattered beam on the scattering angle at incidence angles less than 2° and scattered particle energies below 150 keV has been discovered. It is shown that, for a theoretical estimation of the charge fractions of particles reflected from the target surface, charge-exchange cross sections used in calculations must be corrected when solids are considered instead of gases.     

Imaging of s and d partial-wave interference in quantum scattering of identical bosonic atoms

We report on the direct imaging of s and d partial-wave interference in cold collisions of atoms. Two ultracold clouds of 87Rb atoms were accelerated by magnetic fields to collide at energies near a d-wave shape resonance. The resulting halos of scattered particles were imaged using laser absorption. By scanning across the resonance we observed a marked evolution of the scattering patterns due to the energy dependent phase shifts for the interfering s and d waves. Since only two partial-wave states are involved in the collision process the scattering yield and angular distributions have a simple interpretation in terms of a theoretical model.     

Hyperthermal scattering of Cs from Pt(1 1 1): the effect of image charge on the ion-surface energy transfer

We have studied the energy exchange between hyperthermal (5-100 eV) Cs⁺ projectiles and a Pt(1 1 1) surface by measuring the kinetic energy of the scattered ions. The scattering geometry was chosen to be in-plane with specular scattering angles, and the energy of the scattered ions was analyzed as functions of incidence energy and angle. For low incidence energy (<40 eV), the energy transfer to the Pt surface is substantially enhanced due to the attractive image charge force between Cs⁺ and the surface. The image charge effects are highlighted by the different energy transfer on Pt(1 1 1) and Si(1 1 1) surfaces. Analysis of the experimental results using two- and three-dimensional theoretical models revealed a well depth of 1 eV for the image charge potential. Hyperthermal Cs⁺ ions scatter from Pt(1 1 1) predominantly via double collisions with Pt atoms, though the scattering phenomena are insensitive to the impact site at the surface.     

Energy and charge distributions of fast hydrogen ions and atoms reflected from Cu in the case of grazing incidence

The energy and charge distributions of protons and hydrogen atoms reflected from the Cu surface in the case of grazing incidence angles are measured at energies of incident particles (H⁺ and H⁰) of 200 and 250 keV. The charged fractions of reflected particles are analyzed. A weak dependence of the neutral fraction of reflected particles on the scattering angle is discovered for incidence angles of 1°–2° and an energy of scattered particles of 60 keV or less. It is shown that the neutral fraction of reflected particles with an energy of 60–80 keV or more is independent of the scattering angle and is determined by the ratio of the cross sections for the electron capture and loss by ions in the material.     

Dynamic Potential of Interaction between Nitrogen Atoms and Aluminum Crystal Surface

Specific features of the angular distributions of accelerated neutral nitrogen atoms at the grazing angles of incidence on the Al(001) crystal surface have been investigated by the computer simulation method. The N–Al pair interaction potential is approximated by the three-parameter Morse potential with the energydependent coefficients. The angular distributions of scattered atoms have been simulated taking into account the interaction between atoms and several atomic layers in the lattice and the atomic displacement during thermal oscillations. The parameters of the pair potential of accelerated neutral nitrogen atoms in the energy range from 10 to 70 keV have been determined according to the best agreement between the calculated dependence of the rainbow scattering angle on the energy of particles incident on the crystal surface and the available experimental data.

     

Scattering of F atoms and anions on a TiO2(1 1 0) surface

Results of a study of energy losses and electron transfer processes for grazing scattering of fluorine atoms and anions scattering along different azimuthal orientations of the TiO₂ crystal are presented. We observe strong variations in the overall intensity of scattered particles which are due to channelling effects. The energy losses do not show strong variations as a function of crystal azimuth except for the case of scattering along the (0 0 1) direction between the bridging oxygen atom rows, where we also observe differences in the energy losses of scattered ions and neutrals. We attribute this to the fact that larger F⁻ survival occurs for trajectories staying farther from the surface, when also the energy losses remain small. The overall characteristics of energy losses are attributed mainly to trajectory effects due to scattering in regions of different electron density. Measurements of the ratio of scattered ions to the total scattered flux, i.e. the ion fractions which reflect electron capture and loss processes, show that these are not the same for incident anions and atoms. A strong difference for scattering along the (0 0 1) direction is observed, where at low incident energies a strong survival of incident ions occurs. These results are tentatively discussed in terms of non resonant electron capture at lattice O⁻ sites and electron loss into the conduction band or by collisional detachment with bridging O atoms.     

Scattering of excited atoms due to ion bombardment of metals

The spectrum and the spatial distribution of the emission of scattered particles upon bombardment of Be, Ti, Ta, and W with H and He ions were studied. The quantum yield and the velocity and angular distributions of the scattered excited particles were measured. Computer simulation of the scattering of H ions and He ions from the metals under study was performed with the use of the program TRIM-95. Agreement is observed between the calculated and experimentally measured angular distributions of the scattered particles.     

Energy exchange in structure scattering: a molecular dynamics study for Cs from Pt(1 1 1)

We have employed a classical molecular dynamics simulation to investigate the energy transfer of a heavy projectile ion to a surface, i.e. Cs⁺ impacting onto Pt(1 1 1), for incidence energies between 25 and 100 eV and an incidence angle of 45°. The in-plane scattering results show a continuous increase of the final energy with increasing scattering angle. All scattering intensities have a main supraspecular peak and scattering into subspecular angles increases with increasing incidence energy. The large projectile/target mass ratio causes a high energy loss and a strong angular dependence of the final energy distribution. The trends of the energy transfer and its angular dependence can be understood in terms of a binary collision model, augmented with double collisions and an the image charge correction. Backscattering at high incidence energies leads to a distribution of very low final energies, indicating the onset of surface sputtering. Peaks in the energy spectra arise from impact site dependent scattering and can be assigned to single, double, triple or sputtering type collisions.     

Experimental and simulation investigations of the peculiarities of relativistic electron beam scattering at a small angle of incidence on a thin flat target

The refraction angles θ _d of electron beams passing through aluminum and thin flat copper foils and reflection angles θ _r are measured. A microtron with 7.4 MeV particles is used as a source of electrons. The angle between the particle trajectory and the target surface α is varied in the range 5°–30°. The dependences of the refraction and reflection angles on the α angle and foil thickness δ are measured. A dosimetric film is used to make pictures of cross sections of the electron beam scattered by a thin 50 μm copper foil. Image processing allows the spatial distributions of refracted and reflected particles to be obtained. The processes of relativistic electron scattering at a small angle of incidence on a flat target are simulated by the Monte Carlo method. The results of simulation are compared with experimental data. Particle scattering at a bimetallic target consisting of 200-μm aluminum and 70-μm lead layers are simulated. A dependence of the spatial-energy distributions on the order of metal layers placed along electron trajectories is found.     

Quasiparticles in Raman scattering of an electromagnetic wave by an atomic condensate

Raman scattering of an intense electromagnetic wave by a free atomic Bose condensate is considered. In a system of atoms and photons, a subsystem is separated whose dynamics can be naturally described in terms of quasiparticles: quasi-atoms and quasi-photons. The dispersion laws of quasiparticles are interrupted by the instability interval. The introduction of quasiparticles within this interval is impossible, while dispersion laws that are continued formally acquire imaginary components. The dynamic scattering model is generalized by including dissipative annihilation processes of scattered photons and uncondensed atoms. A stationary solution of the corresponding quantum control equation is found, allowing the calculation of momentum distributions of real particles and quasiparticles. The outlook for the experimental detection of quasiparticles is discussed.     

Metallization and demetallization of clean and oxygen-covered ultrathin alkali metal films on GaAs(1 0 0)

The structure and the electronic valence state occupation of ultrathin K, Rb, and Cs films grown on a GaAs(1 0 0)-(4×2) surface have been studied by means of metastable He atom scattering (MHAS), He atom scattering (HAS), and low-energy electron diffraction (LEED) at temperatures ranging from 150 to 400 K. From the survival probability of the scattered He^* atoms, detailed information on the coverage-dependent filling of the alkali metal valence states and their emptying upon subsequent exposure to oxygen were derived. These data reveal for K and Rb a nearly linear band filling with increasing coverage starting at about 0.5 ML whereas a more rapid filling is observed for Cs which is almost completed at about 0.7 ML. Subsequent oxygen adsorption causes a demetallization of the metallic alkali metal monolayers. In case of Cs, a distinct minimum of the He^* signal appears at an oxygen exposure of about 0.8 L, presumably indicating the onset of subsurface oxidation.     

Speckle motion due to laser light scattering off non-homogeneous media

Non-homogeneous velocity distributions of light scattering particles generally result in a non-homogeneous motion of the speckle pattern. This has been shown theoretically and experimentally by considering the space-time intensity correlation function of light being scattered by particles within a shear flow.