Scattering and recoiling mapping of the Kr–Pt(1 1 1) system by SARIS

The technique of angle resolved mapping of scattering and recoiling imaging spectra (SARIS) combined with computer simulations is demonstrated to be a valuable tool for characterization of atomic collision events on surfaces. The energy distributions of scattered Kr and fast recoiled Pt atoms from a Pt(1 1 1) surface were measured as a function of exit angle. The use of a large area microchannel plate detector and time-of-flight techniques decreases the collection time and increases the number of detected trajectories above that of other designs. Classical ion trajectory simulations using the three-dimensional scattering and recoiling imaging code are used to simulate the kinematics of the scattering and recoiling particles. It is shown that SARIS mapping allows one to probe the kinematics of both scattered and recoiled particles, the probability for their occurrence in specific trajectories, their detection probabilities, and their threshold detection velocity. The measured and simulated energy distributions agree quantitatively if the detection efficiency is taken into account. The observed value of the threshold detection velocity for Pt atoms, ν^th=3.78(5)×10⁴ m/s, is in good agreement with previous studies.     

Simulation of multiple scattering in argon ion collisions with an aluminum target at grazing angles of 5°–10°

A model for calculating the atom scattering from a polycrystalline surface consisting of randomly oriented single crystals is proposed. In the calculation it is possible to distinguish the contribution of scattering from any surface layer, and it also takes into account inelastic energy losses in primary ion collisions with target atoms. A comparison with the measurements shows that the proposed model well describes the peak positions in the energy spectra of the scattered atoms. A comparison of the calculated and experimental peak-to-background ratios for scattering from polycrystalline and amorphous targets allows a conclusion to be made about the degree of order of surface layers in the material under investigation.     

Relaxation of the edge atoms of a stepped Cu(410) surface

The edge atom position of the stepped Cu(410) surface has been investigated with low energy ion scattering (LEIS) using 10–20 keV H⁺. It is possible to determine the atomic position by utilizing atomic shadowing effects. The scattered particles are analysed with a time-of-flight spectrometer. This means that we can detect scattered hydrogen leaving the copper surface in the neutral state as well as in the charged state, so the influence of neutralization of the scattered particles along different outgoing trajectories is eliminated. We find an inward relaxation of the edge atoms; assuming that this relaxation takes place in the (100) plane it amounts to about 8% of the interlayer spacing.     

Gas-surface scattering distributions according to the hard-spheroid model

Gas-surface scattering distributions are calculated on the basis of the hard-spheroid model. This new model is related to the hard-cube model but incorporates surface structure by letting the surface atoms have hard spherical caps. Surface structure is found to reduce the maximum scattered intensity and to broaden the scattering distribution. The decrease in the maximum scattered intensity is most pronounced for a light gas. Broadening is asymmetric relative to the direction of maximum scattered intensity in that backscattering towards the surface is favored. Adding surface structure to the hard-cube model improves significantly the agreement between model predictions and experimental results.     

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.     

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.     

Li+ neutralization as a probe of the local electronic potential in Li+-alkali covered metal surface collisions

A theoretical study of Li⁺ neutralization by collision on an alkali covered Al surface is presented. The neutralization probability is computed for Li atoms back scattered from Al sites and from alkali sites on the surface. The calculations are performed with a model representation using lithium as a representative for alkali adsorption. The results reproduce the very large difference in neutralization probability for Li scattered from substrate and adsorbate sites experimentally observed by Weare and Yarmoff [Surf. Sci. 348 (1996) 359] and thus confirm the importance of local effects in atom-surface charge transfer. For scattering from adsorbate sites, the neutralization is shown to be associated with a very large excitation probability of the scattered Li atom.     

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.     

Bragg scattering of cooper pairs in an ultracold Fermi gas

We present a theoretical treatment of Bragg scattering of a degenerate Fermi gas in the weakly interacting BCS regime. Our numerical calculations predict correlated scattering of Cooper pairs into a spherical shell in momentum space. The scattered shell of correlated atoms is centered at half the usual Bragg momentum transfer, and can be clearly distinguished from atoms scattered by the usual single-particle Bragg mechanism. We develop an analytic model that explains key features of the correlated-pair Bragg scattering, and determine the dependence of that scattering on the initial pair correlations in the gas.     

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.     

A wavepacket approach to gas-surface scattering: Application to surfaces with imperfections

A time dependent wavepacket approach is applied to diffractive scattering from surfaces with imperfections. This semiclassical method is based on Gaussian wavefunctions whose average positions and momenta are those of classical trajectories. The approach can be applied to arbitrary potentials. Positions, shapes and magnitudes of the diffraction peaks are obtained in a single calculation. In a first example the wavepacket method is applied to a stepped surface. The diffraction pattern is calculated for different incident scattering angles and for various regular and random distributions of steps with two different sizes. Second, the approach is used to study the scattering for an interaction potential modeling a corrugated surface with adsorbed atoms. The diffraction intensities are examined for several final scattering directions and again for regular and random arrangements of the adsorbed atoms.     

Inelastic surface scattering of non-penetrating particles

This paper is an extension of the authors' earlier work to include a treatment of onephonon inelastic scattering of particles which do not penetrate appreciably into the crystal. A full quantum-mechanical treatment of the lattice vibrations is used throughout, and the results are not restricted to small scattered intensities. Calculations are presented for the scattering of helium atoms by a simplified model of the crystal surface.     

Supernumerary rainbows in the angular distribution of scattered projectiles for grazing collisions of fast atoms with a LiF(001) surface

Fast atoms with keV energies are scattered under a grazing angle of incidence from a clean and flat LiF(001) surface. For scattering along low index azimuthal directions within the surface plane ("axial surface channeling") we observe pronounced peak structures in the angular distributions for scattered projectiles that are attributed to "supernumerary rainbows." This phenomenon can be understood in the framework of quantum scattering only and is observed here up to projectile energies of 20 keV. We demonstrate that the interaction potential and, in particular, its corrugation for fast atomic projectiles at surfaces can be derived with a high accuracy.     

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.     

Scattering of Li+ from LEED characterized W(110) and Si (111) surfaces at energies between 2 and 20 eV

Energy and angular distributions of Li⁺ ions scattered from W(110) and Si(111) surfaces have been measured for a wide range of scattering angles and for beam energies between 2 and 20 eV. The collision process can be explained in terms of binary collisions with single surface atoms, if the influence of the attractive part of the interaction potential is taken into account. A square well approximation for the potential makes it possible to predict the form of the energy spectrum as well as the behaviour of the angular distribution of the scattered particles for both systems. The influence of adsorbed atoms and molecules on the scattering behaviour has been investigated. Exposure of the W surface to H₂, O₂ and CO shows that surface coverages exceeding 10% of a monolayer very drastically influence the scattering. The results from the clean surfaces indicate that sufficiently precise measurements of the energy spectra of the scattered particles can yield very detailed information about the form of the interaction potential. The form of the energy spectra also contains information as to the extent of vibrational excitation of the surface atoms.     

Coherent amplification of beams of atoms inelastically scattered by the Bose-Einstein condensate

The subject of consideration is coherent amplification of a beam of impurity atoms inelastically scattered by a system of ultracold atoms with collectively excited modes. A kinematic model of weak localization of a new type is used that provides a straightforward explanation for this phenomenon and also makes it possible to derive the angular dependences of the scattering intensity. Based on this model, angular and energy criteria for the existence of the new-type weak localization in an ultracold system of atoms (the Bose-Einstein condensate) are determined. Particular emphasis is on how the principle of indistinguishability influences the weak localization of a beam of atoms inelastically scattered by the Bose-Einstein condensate when scattered and condensed atoms are identical.     

Investigation of oxygen adsorption on Cu(110) by low-energy ion bombardment

The interaction of molecular oxygen with a Cu(110) surface is investigated by means of low energy ion scattering (LEIS) and secondary ion emission. The position of chemisorbed oxygen relative to the matrix atoms of the Cu(110) surface could be determined using a shadow cone model, from measurements of Ne⁺ ions scattered by adsorbed oxygen atoms. The adsorbed oxygen atoms are situated 0.6 ± 0.1 Å below the midpoint between two adjacent atoms in a 〈100〉 surface row. The results of the measurements of the ion impact desorption of adsorbed oxygen suggest a dominating contribution of sputtering processes. Ion focussing effects also contributes to the oxygen desorption. The ion induced and the spontaneous oxygen adsorption processes are studied using different experimental methods. Sticking probability values obtained during ion bombardment show a strong increase due to the ion bombardment.     

Coherence during scattering of fast H atoms from a LiF(001) surface

The coherence for diffraction effects during grazing scattering of fast hydrogen and helium atoms from a LiF(001) surface with energies up to some keV is investigated via the coincident detection of two-dimensional angular distributions for scattered projectiles with their energy loss. For keV H atoms, we identify electronic excitations of the target surface as the dominant mechanism for decoherence, whereas for He atoms this contribution is small. The suppression of electronic excitations owing to the band gap of insulators plays an essential role for preserving quantum coherence and thus for the application of fast atom diffraction as a surface analytical tool.     

Elastic and inelastic scattering components in the angular intensity distribution of He scattered from graphite

The angular intensity distribution of thermal energy He beam scattered from highly oriented pyrolytic graphite (HOPG) surface has been measured by means of supersonic molecular beam scattering technique in the wide surface temperature range. To separate the elastic and inelastic scattering components, simple analysis method has been developed by applying the classical binary collision theory of the hard cube model (HCM). From the extracted elastic scattering component in the scattering distribution, the Debye temperature of the HOPG surface has been derived as 590 ± 30 K. On the basis of the HCM analysis for the extracted inelastic scattering components of He beam, the effective mass for the HOPG surface has been found to be 72 u (six carbon atoms).     

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.