Effect of adsorbates on the formation of doubly excited He atoms during impact of He ions on a Ni(1 1 0) surface

The formation of doubly excited states of He atoms during impact of He²⁺ ions with projectile energies of 60-1000 eV under near-grazing angles of incidence of 5°-20° on clean and adsorbate-covered Ni(1 1 0) surfaces is studied by means of Auger electron spectroscopy. Pronounced dependencies of electron spectra from autoionization of atoms in doubly excited 2s², 2s2p and 2p² configurations on the coverage of the target surface with adsorbates are observed. These are directly related to work function changes, which are studied for the controlled adsorption of oxygen. Changes of the electron spectra on the target temperature are found for adsorbate-covered surfaces only, which puts into question recent interpretations of similar electron spectra in terms of a high local electron spin polarization of Ni(1 1 0) by an alternative interpretation based on thermal desorption or dissolution into bulk of surface contaminations. The formation of doubly excited states is studied for the oxygen p(2 × l) and p(3 × l) superstructures on Ni(1 1 0) in order to provide well-defined experimental data for theoretical investigations.     

Alkali ion scattering from Ag(0 0 1) and Ag thin films at low and hyperthermal energies

We have investigated the scattering of K⁺ and Cs⁺ ions from a single crystal Ag(0 0 1) surface and from a Ag-Si(1 0 0) Schottky diode structure. For the K⁺ ions, incident energies of 25 eV to 1 keV were used to obtain energy-resolved spectra of scattered ions at θ_i = θ_f = 45°. These results are compared to the classical trajectory simulation safari and show features indicative of light atom-surface scattering where sequential binary collisions can describe the observed energy loss spectra. Energy-resolved spectra obtained for Cs⁺ ions at incident energies of 75 eV and 200 eV also show features consistent with binary collisions. However, for this heavy atom-surface scattering system, the dominant trajectory type involves at least two surface atoms, as large angular deflections are not classically allowed for any single scattering event. In addition, a significant deviation from the classical double-collision prediction is observed for incident energies around 100 eV, and molecular dynamics studies are proposed to investigate the role of collective lattice effects. Data are also presented for the scattering of K⁺ ions from a Schottky diode structure, which is a prototype device for the development of active targets to probe energy loss at a surface.     

Effect of spin polarization of Ni(1 1 0) surface on Auger neutralization for grazing scattering of He ions

The survival of ions during grazing scattering of keV He⁺ ions from a clean Ni(1 1 0) surface is studied as function of target temperature. We observe ion fractions in the scattered beams of typically 10⁻³ which show a slight increase with temperature of the target surface. From computer simulations of projectile trajectories we attribute this enhancement for ion fractions to effects of thermal vibrations of lattice atoms on the survival of ions in their initial charge state. Based on concepts of Auger neutralization, we discuss the role of the spin polarization of target electrons on charge transfer. We do not find corresponding signatures in our data and conclude that in the present case of Ni(1 1 0) the spin polarization has to be small.     

Angular spectra of rainbow scattering at glancing keV He bombardment of NiAl(1 0 0) surface with transverse energies in the range 1-10 eV

Previous simulations of glancing incidence ion-surface interaction have demonstrated that classical dynamics using the row-model have successfully reproduced multimodal azimuthal and polar spectra. These studies have also shown considerable sensitivity to the form of the interatomic potential thus making it a strong test of the validity of such potentials and even allow deduction of the ion-surface potentials. In these simulations the individual pairwise interactions between the projectile and the target atoms have been replaced by cylindrical potentials.Comparison to numerous experimental studies have confirmed the existence of rainbow scattering phenomena and successfully tested the validity of the cylindrical potential used in these simulations. The use of cylindrical potentials avoids stochastic effects due to thermal displacements and allows faster computer simulations leading to reliable angular distributions.In the present work we extend the row-model to consider scattering from binary alloys. Using He⁺ scattered at glancing incidence from NiAl surfaces, Al or Ni terminated, a faster method has been developed to easily and accurately quantize not only the maximum deflection azimuthal angle but all the singular points in the angular distribution. It has been shown that the influence of the surface termination on the rainbow angle and the inelastic losses is small.     

Competition of terrace and step-edge sputtering under oblique-incidence ion impact on a stepped Pt(1 1 1) surface

Using molecular-dynamics simulation, we study the sputtering of a Pt(1 1 1) surface under oblique and glancing incidence 5 keV Ar ions. For incidence angles larger than a critical angle ?_c, the projectile is reflected off the surface and the sputter yield is zero. We discuss the azimuth dependence of the critical angle ?_c with the help of the surface corrugation felt by the impinging ion. If a step exists on the surface, sputtering occurs also for glancing incidence ?>?_c. We demonstrate that for realistic step densities, the total sputtering of a stepped surface may be sizable even at glancing incidence.     

Computer simulation of CAICISS spectra of clean Cu(1 0 0) surface and Cu(1 0 0) surface by Pt deposition

The clean Cu(1 0 0) surface and Pt/Cu(1 0 0) surface by Pt deposition at room temperature have been investigated using the computer simulation of coaxial impact-collision ion scattering spectroscopy (CAICISS). The computer simulations employing the ACOCT program code, which treats the atomic collisions three-dimensionally and is based on the binary collision approximation (BCA), were carried out for the case of 3 keV He⁺ ions incident along the 〈1 0 0〉 and 〈1 1 0〉 azimuths of the clean Cu(1 0 0) and Pt/Cu(1 0 0) surfaces. The comparisons between ACOCT results and experimental CAICISS data show that the experimental results on the clean Cu(1 0 0) surface are relatively well reproduced by the ACOCT simulations including the inward relaxation of 1.2% in the first interlayer spacing and the outward relaxation of 1.6% in the second interlayer spacing, and that the ACOCT simulations for the Pt deposition with coverages of 2.35 ML and 2.75 ML on the Cu(1 0 0) surface appear the concentrations of 0.24 ML of Pt sitting 2.3 Å and 0.25 ML of Pt sitting 2.5 Å above the outermost atomic layer, respectively.     

He(1s) angular distributions simulations for He(1s) on Al(1 1 1) collisions in the keV energy range at grazing incidences

We have calculated charge fractions and angular distributions of scattered He atoms resulting from the interaction of keV He⁺ beams at grazing incidences with an Al(1 1 1) surface. Several improvements over our earlier approaches have been incorporated. These are a more sophisticated RPA image potential for the ion-metal interaction as well as kinematic factors affecting the static rates for the Auger transfer mechanisms. For interaction cases in which both perpendicular and parallel velocities are low, we obtain angular distributions which have a better agreement with the experimental data than our earlier version of the theory, although still the theoretical results do not reach total neutralization of the beam as the experimental results show.     

Modification of poly(methyl methacrylate) by keV Ar deposition

Classical molecular dynamics simulations are used to examine 1 keV Ar atom bombardment on the surface of poly(methyl methacrylate) (PMMA), which induces sputtering and chemical modifications to the surface. The simulations are carried out at various surface temperatures that range from 200 to 600 K. The results indicate that different fragments of PMMA, as characterized by their mass, are preferentially sputtered from the surface at the various temperatures considered. In addition, the simulations predict that small fragments are produced by the high energy deposition process. However, larger sized fragments are generated when the surface temperature is close to the glass transition temperature of PMMA. The atomic-scale processes by which these occur are elucidated by the simulations.     

AODO: Secondary ion emission and surface modification

In order to study the sputtering of secondary ions from well characterized surfaces, we constructed a new UHV system named AODO. It consists of a detector chamber, a target preparation and analysis chamber, and a target transfer rod. We present the lay-out of this new instrument. The detector allows measuring the time-of-flight of emitted secondary ions and their position on a 2D imaging detector (XY-TOF imaging technique). The analysis chamber can be used to study surface modification by means of LEED (low energy electron diffraction). We show preliminary results of the evolution of the LEED patterns as a function of the projectile fluence during irradiation of HOPG (highly oriented pyrolytic graphite) with slow Xe¹⁴⁺ ions at ARIBE (the low energy, highly charged ion beam line of the French heavy ion accelerator GANIL).     

Dynamic dependence of the interaction potentials for grazing scattering of fast atoms from metal and insulator surfaces

For scattering of fast atoms from metal and insulator surfaces under axial channeling conditions pronounced peaks in the angular distributions of scattered projectiles are interpreted in terms of rainbow scattering. The angular position of such “rainbow peaks” are closely related to the interaction potential and its corrugation in the topmost surface region. We have scattered N and O atoms, with energies ranging from 10 to 70 keV, from clean and flat Al(0 0 1) and LiF(0 0 1) surfaces along low index axial directions in the surface plane and studied the positions of the rainbow peaks as function of the kinetic energy of the atomic projectiles normal to the surface. For the insulator surface the rainbow angle does not depend on projectile energy for constant normal energy, whereas for the metal surface we find pronounced dynamic effects. We interpret this different behaviour as arising from a projectile energy dependent contribution to the underlying interaction potentials owing to embedding the projectiles into the free electron gas in the selvedge of the surfaces, which is present for the metals but absent for insulators.     

Quantum interference in grazing scattering of swift He atoms from LiF(0 0 1) surfaces: Surface eikonal approximation

This work deals with the interference effects recently observed in grazing collisions of few-keV atoms with insulator surfaces. The process is studied within a distorted-wave method, the surface eikonal approximation, based on the use of the eikonal wave function and involving axial channeled trajectories with different initial conditions. The theory is applied to helium atoms impinging on a LiF(0 0 1) surface along the 〈1 1 0〉 direction. The role played by the projectile polarization and the surface rumpling is investigated. We found that when both effects are included, the proposed eikonal approach provides angular projectile spectra in good agreement with the experimental findings.     

Study of ion emission from a germanium crystal surface under impact of fast Pb ions in channeling conditions

A thin germanium crystal has been irradiated at GANIL by Pb beams of 29 MeV/A (charge state Q_in = 56 and 72) and of 5.6 MeV/A (Q_in = 28). The induced ion emission from the sample entrance surface was studied, impact per impact, as a function of Q_in, velocity v_in and energy loss ΔE in the crystal. The Pb ions transmitted through the crystal were analyzed in charge (Q_out) and energy using the SPEG spectrometer. The emitted ionized species were detected and analyzed in mass by a time-Of-flight multianode detector (LAG). Channeling was used to select peculiar ΔE values in Ge and hence peculiar Pb ion trajectories close to the emitting entrance surface. The experiment was performed in standard vacuum. No Ge emission was found. The dominating emitted species are H⁺ and hydrocarbon ions originating from the contamination layer on top of the crystal. The mean value 〈M〉 of the number of detected species per incoming Pb ion (multiplicity) varies as (Q_in/v_in)^p, with p values in agreement with previous results. We have clearly observed an influence of the energy deposition ΔE in Ge on the emission from the top contamination layer. When selecting increasing values of ΔE, we observed a rather slow increase of 〈M〉. On the contrary, the probabilities of high multiplicity values, which are essentially connected to fragmentation after emission, strongly increase with ΔE.     

Desorption of gold nanoclusters (2-30 nm) under low excitation of their electronic subsystem by Ar ions (14 keV/nm)

Gold nanodispersed targets with islands-grains sized 2-30 nm were irradiated by Ar⁷⁺ ions with the energy of 45.5 MeV and (dE/dx)_e = 14.2 keV/nm in gold. The desorbed gold nanoclusters were studied by TEM method. For all the targets desorption of intact gold nanoclusters is observed. However, for inelastic stopping of monatomic Ar ions in gold of 14.2 keV/nm desorption of nanoclusters is observed only up to ∼25 nm. The yield of the desorbed nanoclusters considerably decreases from 3 to 0.02 cluster/ion with the increase of the mean size of the desorbed nanoclusters from 3 to 14.2 nm. The results are discussed.     

Computer simulation of sputtering at the low index (1 0 0), (1 1 0) and (1 1 1) surfaces of Ni3Al in a STEM

The present study is relevant to the preferential Al sputtering and/or enhancement of the Ni/Al ratio in Ni₃Al observed by the scanning transmission electron microscopy fitted with a field emission gun (FEG STEM). Atomic recoil events at the low index (1 0 0), (1 1 0) and (1 1 1) surfaces of Ni₃Al through elastic collisions between electrons and atoms are simulated using molecular dynamics (MD) methods. The threshold energy for sputtering, E_sp, and adatom creation, E_ad, are determined as a function of recoil direction. Based on the MD determined E_sp, the sputtering cross-sections for Ni and Al atoms in these surfaces are calculated with the previous proposed model. It is found that the sputtering cross-section for Al atoms is about 7-8 times higher than that for Ni, indicating the preferential sputtering of Al in Ni₃Al, in good agreement with experiments. It is also found that the sputtering cross-sections for Ni atoms are almost the same in these three surfaces, suggesting that they are independent of surface orientation. Thus, the sputtering process is almost independent of the surface orientation in Ni₃Al, as it is controlled by the sputtering of Ni atoms with a lower sputtering rate.     

Secondary ion emission from Cu(1 0 0) surfaces with atomic adsorbates (N, O, Cl, S and Br)

Several targets that consist of atomic species X (X = N, O, Cl, S, Br) adsorbed at hollow sites on the Cu(1 0 0) surface have been examined with low-fluence secondary ion mass spectrometry (SIMS). The positive and negative secondary ion (SI) abundance distributions, which show a range of characteristics, have been discussed with the aid of thermochemical data derived from ab initio calculations. In positive SIMS, CuX⁺ is never observed, while the only heteronuclear (mixed-atom) SI that is observed for all five systems is Cu₂X⁺. In negative SIMS, the dominant heteronuclear species for all systems is , except for N/Cu(1 0 0), which produces no , ions. Cu⁻ emission is observed only for O/Cu(1 0 0). By analogy with results from laser ablation studies of O/Cu targets, it is conjectured that Cu⁻ is a daughter product of the gas-phase dissociation of polyatomic Cu-O anion clusters.     

Assessment of approximations for efficient topography simulation of ion beam processes: 10 keV Ar on Si

The main assumption of existing efficient topography simulations is that sputtering is a local process that depends only on the angle of incidence and not on the detailed shape of the surface. If redeposition is considered, sputtered atoms are redeposited and cause no further sputtering when they hit another part of the surface. Furthermore the angular distribution of sputtered atoms follows a cosine law. If ion reflection is considered, ions do not lose energy during backscattering. Using binary collision simulations (IMSIL) and comparing them with results obtained by a topography simulator (IonShaper^®) we show that all these assumptions need refinement for the simulation of nanostructures except the neglect of sputtering by sputtered atoms. In addition we show that a nonlocal model is essential for ion beam induced deposition of narrow structures.     

Optical degradation of silicone in ZnO/silicone white paint irradiated by <200 keV protons

By compared with ZnO powders and silicone resin, the optical degradation of the ZnO/silicone white paint caused by <200 keV protons was investigated, and the damage mechanism was revealed by X-ray photoelectron spectroscopy (XPS) and Fourier transform infrared spectrum analysis (FTIR). Experimental results show that the optical degradation mainly occurs in the visible region and the absorption band shifts towards longer wavelengths with increasing proton fluence. Under the proton irradiation, the resistance to optical degradation of the ZnO/silicone white paint is less than the ZnO powders and better than the silicone resin. Such a change can be related to the damage of the silicone. The damage of the silicone binder enhances the degradation of ZnO/silicone white paint, whereas the existence of ZnO pigment relieves the degradation of the silicone binder. The major damage product changes from the cyclotrisiloxane in the silicone resin to the net Si-CO structure in the silicone binder of the ZnO/silicone white paint.     

Roughening of silicon (1 0 0) surface during low energy Cs ion bombardment

Nowadays, the use of low energy ion bombardment in secondary ion mass spectrometry (SIMS) is a mandatory step to obtain high depth resolution for the characterization of ultra shallow junctions. However, increment of roughness during ion bombardment leads to the degradation of depth resolution. The evolution of surface roughening and ripple formation on silicon at ambient temperature under 1 keV Cs⁺ ion bombardment with and without sample rotation has been studied by means of atomic force microscopy.Ripple formation with a perpendicular orientation with respect to the Cs⁺ beam direction has been detected, and their wavelength and correlation length have been monitored as a function of the experimental conditions. Roughness and wavelength increased with increasing ion fluence, while variations of ion flux showed little effect. The effect of sample rotation during ion bombardment led to a critical reduction of the surface roughness and disappearance of ripples.     

Analysis of Venetian-type glass fragments from the ancient city of Lezha (Albania)

A series of glasses excavated in the Albanian city of Lezha (ancient Lissos) were analyzed by the combined PIXE-PIGE method in air and by source-excited XRF. The analysis revealed two types of glass that can be identified as façon de Venise glass and its subsequent younger phase, produced by chemically purer components and using As₂O₃ as decolorant.