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.     

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.     

Fast atom diffraction during grazing scattering from a MgO(001) surface

Fast neutral atoms and molecules with energies from 0.4 up to 3 keV are scattered under a grazing angle of incidence from a clean and flat MgO(001) surface. For “axial surface channeling” conditions, we observe defined diffraction patterns in the angular intensity distributions for scattered ³He and ⁴He atoms as well as H₂ molecules. The diffraction patterns are analyzed in terms of semiclassical trajectory calculations making use of projectile surface interaction potentials derived from density functional theory and from pair potentials calculated from Hartree–Fock wave functions. From comparison of measured and calculated diffraction patterns we deduced the rumpling of the topmost surface layer of MgO(001), i.e. an inward shift of Mg²⁺ ions with respect to O^2? ions, of (0.03±0.03) Å.     

Inelastic scattering of Ne atoms from a LiF(001) surface

Scattering experiments with a ²⁰Ne nozzle beam from a LiF(001) surface in the 〈100〉 azimuth are reported. The (11) and (1̄1̄) Bragg reflections show broad tails due to inelastic scattering. These tails can be attributed by time-of-flight measurements to single phonon scattering on acoustic modes. The inelastic contribution decreases rapidly with increasing energy of the phonons involved.     

Electronic excitations during grazing scattering of hydrogen atoms on KI(001) and LiF(001) surfaces

The energy loss of hydrogen atoms with energies of 400 eV and 1 keV is studied in coincidence with the number of emitted electrons during grazing scattering from atomically clean and flat KI(001) and LiF(001) surfaces. The energy loss spectra for specific numbers of emitted electrons are analyzed in terms of a binary interaction model based on the formation of transient negative ions via local capture of valence band electrons from anion sites. Based on computer simulations we derive for this interaction scenario probabilities for the production of surface excitons, for electron loss to the conduction band of KI, for emission of electrons, and for formation of negative hydrogen ions. The pronounced differences of data obtained for the two surfaces are attributed to the different electronic structures of KI and LiF.     

Atom-surface scattering with velocity-selected H and D atomic beams from LiF and NaF (001)

Hydrogen and deuterium atoms with an energy between 20 and 140 meV have been scattered from LiF and NaF (001) cleavage planes in UHV. The atomic beam was nearly monoenergetic by use of a slotted disk type velocity selector with a velocity resolution of $\text{Δv}\text{v}\text{=12\%}$ (FWHM). The scattering showed diffraction with a pronounced specular beam. The energies of several bound surface states have been determined by analysis of selective adsorption minima. These energies together with relative intensities of diffracted beams and specular intensity versus incident energy measurements may be represented by an interaction potential of Morse-type with additional terms which are periodic parallel to the surface. The parameters of the Morse-potential have been found to be: depth D=17.8 meV and reciprocal range $\text{κ=1.04}\text{A}\text{?}{}^{\mathrm{?1}}$ for H₁/LiF (001) and D = 17.9 meV, k = 1.15 Å^?1 for H₁/NaF (001); the additional periodic terms have relative strength β₁₀=0.04 and $\text{β}{}_{11}\text{≈}\text{β}{}_{10}\text{2}$ in the case of H ₁/LiF, but β₁₁≈β₁₀=0.03 in the case of H₁/NaF. From the observed influence of surface temperature on the position of selective adsorption minima the coefficient of thermal expansion of the topmost surface layer turns out to be approximately twice the bulk value.     

Evidence for F(-) formation by simultaneous double-electron capture during scattering of F(+) from a LiF(001) surface

Slow F(+) ions (v<0.1 a.u.) scattered from a clean and flat LiF(001) surface under a grazing angle of incidence exhibit a high probability for forming F(-) ions in the reflected beam, whereas no negative ions are found for neutral F(0) projectiles. From detailed studies of projectile energy loss and charge transfer, we find evidence for a correlated double-electron capture process in the formation of the F(-) ions.     

Selective adsorption in elastic and inelastic scattering of He and Ne from LiF (001) surface

New experimental evidence is presented for selective adsorption in the inelastic, as well the elastic scattering of He and Ne from LiF. For the inelastic scattering a condition for the effect is derived, by which it is possible to obtain, merely from the position of minima in the inelastic spectrum, an averaged excitation spectrum. The results thus found are entirely consistent with the present knowledge of the surface dynamics of LiF.     

Survival of He+ ions during grazing scattering from a Ag(111) surface

He+ ions as well as neutral He atoms with keV energies are scattered under a grazing angle of incidence from a clean and atomically flat Ag(111) surface. From a comparison of ion fractions observed after scattering of He+ ions and He atoms we find for energies below some keV small but defined fractions of ions that have survived the complete scattering event with the surface. This feature allows us to clear up the microscopic interaction scenario for Auger neutralization of He+ ions at a Ag(111) surface. The Auger neutralization rates are 2 to 3 orders of magnitude smaller than conventional rates derived from experiments for He+-metal systems and agree with recent calculations.     

Inelastic scattering of helium from bulk longitudinal acoustic phonons in LiF(001)

The analysis of some recent time-of-flight spectra reported by Doak for He inelastic scattering from LiF(001) along the 〈110〉 azimuth reveals important contributions from bulk longitudinal acoustic (LA) phonons. The large intensity due to LA phonons compared to that due to Rayleigh waves is shown to be the result of resonance enhancement. The independent determination of the coupling to LA phonons and to Rayleigh waves permits an estimate of the atom-surface, potential softness.     

Capture of polarized electrons into excited atomic states in grazing scattering from a magnetized Ni(110) surface

The spin polarization of electrons captured into excited atomic levels of atoms during the scattering of fast ions from a magnetized Ni(110) surface under a grazing angle of incidence is deduced from the polarization of the fluorescence light. In our studies we have investigated the dependence of the spin polarization on projectile velocity and angle of incidence and observed generally small polarizations for captured electrons.     

One-phonon scattering of He from the LiF(001)〈100〉 Rayleigh mode

The one-phonon cross-section from the Rayleigh mode calculated with a point-ion lattice dynamical theory accounts for all salient inelastic scattering intensities seen in He-LiF(001)〈100〉 measurements published by Brusdeylins, Doak and Toennies [J. Chem. Phys. 75 (1981) 1784]. Scattering cross-sections are found by the Rayleigh method, wherein the repulsive part of the scattering potential is approximated as a hard-wall. The solution is in the form of a perturbation expansion in the elastic corrugation and phonon motion of the surface. For each phonon order the solution is infinite in the elastic corrugation. Resonant intensity enhancement occurs either through selective desorption or selective adsorption, both of which have amplitudes which explicitly appear in the perturbation expansion and can be separately calculated. Intensity enhancement also occurs by kinematical focusing. We find a new type of kinematical focusing in addition to that discussed by Benedek [Phys. Rev. Letters 35 (1975) 234].     

Elastic and inelastic scattering of slow positrons from a LiF(100) surface

The intensity profile for the elastic specular reflection of 5–100 eV positrons from a LiF(100) surface (ang1e of incidence 45°) has been measured using a simple time-of-flight spectrometer. The profile exhibits strong maxima below 25 eV and a smaller peak at 57 eV. Positron energy loss spectra have also been measured for a range of incident energies by retarding field analysis of the scattered beam. The mean energy loss appears to increase with increasing incident beam energy. Both the elastic and inelastic results are compared with similar data for slow-electron scattering obtained with the same apparatus.     

Neutralization of charged fullerenes during grazing scattering from a metal surface

The neutralization of C(60)(+) and C(60)(2+) fullerenes with keV energies is studied for grazing scattering from a clean and flat Al(001) surface. From the measured shifts between the angular distributions for scattered projectiles of different incident charge, we derive image-charge interaction energies, which relate to the distances of electron transfer for C(60)(+) and C(60)(2+). These neutralization distances are in accord with a classical over-the-barrier model taking into account the image-charge effects of the Al target and the polarization of the fullerene.     

A semiclassical treatment of atom-surface scattering: He + LiF(001)

The study of the diffraction of atoms by periodic surfaces is considered within a semiclassical framework. The semiclassical theory for atom-surface scattering is briefly reviewed, and the results are applied to HeLiF(001) scattering. Several model potentials for the atom-surface interaction are discussed, and some of the effects of these potentials on the classical trajectories are noted. The model potential which best describes the experimental results is found to approach a corrugated hard wall; the long range attractive part of the potential is found to be of secondary importance for incident angles θ_i < 50°.