Desorption of gold nanoclusters from gold nanodispersed targets by 200 keV Au5 polyatomic ions in the elastic stopping mode: Experiment and molecular-dynamics simulation

Au nanoislet targets (∅ 2-60 nm) were bombarded by 200 keV polyatomic ions (40 keV/atom), which deposit their energy mainly in the nuclear stopping mode: ∑(dE/dx)_n = 30 keV/nm and ∑(dE/dx)_e = 2 keV/nm. The matter desorbed in the form of nanoclusters was registered by TEM. The total transfer of matter was determined by neutron-activation analysis. The total yield of the ejected gold reached high values of up to 2.6 × 10⁴ atoms per Au₅ ion. The major part (2 × 10⁴ atoms per ion Au₅) of the emission is in the form of nanoclusters. The results are compared with the data of similar experiments with 1 MeV Au₅ (200 keV/atom) and other projectiles. The analysis of the experimental data and the comparison to molecular-dynamics simulation results of the desorption process show that the desorption of Au nanoislets is induced by their melting, build-up of pressure and thermal expansion.     

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.     

Sputtering of Langmuir-Blodgett multilayers by keV C60 projectiles as seen by computer simulations

Fundamental processes induced in a thick organic system composed of long, well-organized linear molecules by an impact of 5-20 keV C₆₀ are investigated. The organic system is represented by Langmuir-Blodgett multilayers formed from bariated molecules of arachidic acid. The thickness of the system varies between 2 and 16 nm. Coarse-grained molecular dynamics computer simulations are applied to investigate the energy transfer pathways and sputtering yields as a function of the kinetic energy of the projectile and the thickness of the organic overlayer.The results indicate that an impact of keV C₆₀ projectiles leads to significant ejection of organic material. The efficiency of desorption increases with the kinetic energy of the projectile for a given layer thickness. For a constant primary kinetic energy, the sputtering yield goes through a maximum and finally saturates as the LB layer becomes thicker. Such behaviour is caused by a competition between signal enhancement due to increasing number of organic molecules and signal decrease due to lowering of the amount of the primary energy being backreflected into the organic overlayer by the receding organic/metal interface as the layer is getting thicker. When the sample thickness becomes much larger than the penetration depth of the projectile, the sputtering yield is independent of thickness. The deposited energy is channelled by an open and ordered molecular structure, which leads to abnormally long projectile penetration and ion-induced damage.     

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.     

Sputtering of cryogenic films of hydrogen by keV ions: Thickness dependence and surface morphology

The sputtering yield induced by keV hydrogen ions measured at CERN and at Risø National Laboratory for solid H₂ and D₂ at temperatures below 4.2 K decreases with increasing film thickness from about 100 × 10¹⁵ molecules/cm². For a film thickness comparable to or larger than the ion range the data from Risø show a slight increase, whereas the yield from CERN continues to decrease up to very large film thicknesses, i.e. one order of magnitude larger than the ion range. The different behavior of the yield is discussed in terms of the probable growth modes of the films. The films produced at the Risø setup are quench-condensed films, while those produced at CERN are supposed to grow with large hydrogen aggregates on top of a thin bottom layer.     

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.     

Self-diffusion near symmetrical tilt grain boundaries in UO2 matrix: A molecular dynamics simulation study

Molecular dynamics simulations have been carried out to study the influence of grain boundaries in stoichiometric UO₂ on uranium and oxygen self-diffusions over a large range of temperature varying from 300 K to 2100 K. The study was carried out on two symmetrical tilt grain boundaries, Σ5 and Σ41, which have respectively two different atomic structures. Firstly, the study of the temperature effect on the grain boundary core structure is presented. With the raise of temperature, the grain boundary core grows with an increase of disorder. Secondly, self-diffusion near both grain boundaries is studied. It has been found that grain boundaries accelerate the uranium and oxygen self-diffusion rates over several nanometres from the grain boundary interface. Uranium and oxygen self-diffusion are anisotropic, with a high acceleration along the grain boundary interface. Using the self-Van Hove correlation functions, hopping mechanisms were identified for Σ41 in all directions while for Σ5 hopping mechanism takes place along the grain boundary interface and random diffusion appears in the perpendicular direction of the grain boundary plane.     

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.     

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.     

Effect of 200 MeV Ag ion irradiation on structural and electrical transport properties of Fe3O4 thin films

Thin films of Fe₃O₄ have been deposited on single crystal MgO(1 0 0) and Si(1 0 0) substrates using pulsed laser deposition. Films grown on MgO substrate are epitaxial with c-axis orientation whereas, films on Si substrate are highly 〈1 1 1〉 oriented. Film thicknesses are 150 nm. These films have been irradiated with 200 MeV Ag ions. We study the effect of the irradiation on structural and electrical transport properties of these films. The fluence value of irradiation has been varied in the range of 5 × 10¹⁰ ions/cm² to 1 × 10¹² ions/cm². We compare the irradiation induced modifications on various physical properties between the c-axis oriented epitaxial film and non epitaxial but 〈1 1 1〉 oriented film. The pristine film on Si substrate shows Verwey transition (T_V) close to 125 K, which is higher than generally observed in single crystals (121 K). After the irradiation with the 5 × 10¹⁰ ions/cm² fluence value, T_V shifts to 122 K, closer to the single crystal value. However, with the higher fluence (1 × 10¹² ions/cm²) irradiation, T_V again shifts to 125 K.     

Energy loss straggling in carbon foils by 1-2 MeV/atom lithium and carbon cluster-ions

Energy loss straggling of lithium and carbon cluster-ions with 1-2 MeV/atom energies incident upon thin carbon foil were measured to investigate the difference of energy loss straggling between a single ion and cluster-ions. The results show that the enhancement of the energy loss straggling is observed at lower energies for two different cluster-ions in a 5 μg/cm² carbon foil. For a thicker sample, i.e. a 15 μg/cm² carbon foil, the ratio of cluster-ions to the one of a single atom at equivalent energies lies slightly close with the unity. As increasing the number of the cluster-ions, no enhancement of energy loss straggling was observed in this study.     

Dependence of cluster ranges on target cohesive energy: Molecular-dynamics study of energetic Au402 cluster impacts

It has long been known that the stopping and ranges of atoms and clusters depends on the projectile-target atom mass ratio. Recently, Carroll et al. [S.J. Carroll, P.D. Nellist, R.E. Palmer, S. Hobday, R. Smith, Phys. Rev. Lett. 84 (2000) 2654] proposed that the stopping of clusters also depends on the cohesive energy of the target. We investigate this dependence using a series of molecular-dynamics simulations, in which we systematically change the target cohesive energy, while keeping all other parameters fixed. We focus on the specific case of Au₄₀₂ cluster impact on van-der-Waals bonded targets. As target, we employ Lennard-Jones materials based on the parameters of Ar, but for which we vary the cohesive energy artificially up to a factor of 20. We show that for small impact energies, E₀ ? 100 eV/atom, the range D depends on the target cohesive energy U, D ∝ U^−β. The exponent β increases with decreasing projectile energy and assumes values up to β = 0.25 for E₀ = 10 eV/atom. For higher impact energies, the cluster range becomes independent of the target cohesive energy. These results have their origin in the so-called ‘clearing-the way’ effect of the heavy Au₄₀₂ cluster; this effect is strongly reduced for E₀ ? 100 eV/atom when projectile fragmentation sets in, and the fragments are stopped independently of each other. These results are relevant for studies of cluster stopping and ranges in soft matter.     

Molecular dynamics simulations to explore the effect of chemical bonding in the keV bombardment of Si with C60, Ne60 and Ne60 projectiles

Depth profiling experiments using secondary ion spectrometry (SIMS) have shown effects that are characteristic to the pairing of the projectile with a Si target. Previous molecular dynamics simulations demonstrate that this unusual behavior is due to the fact that strong covalent bonds are formed between the C atoms in the projectile and the Si atoms in the target, which result in the implantation of carbon into the solid. The focus of this paper is to understand how the formation of chemical bonds affects the net sputtered yield. The results of molecular dynamics simulations of the keV bombardment of Si with C₆₀, Ne₆₀ and ¹²Ne₆₀ at normal incidence are compared over a range of incident kinetic energies from 5 to 20 keV. The net yields with Ne₆₀ and ¹²Ne₆₀ are significantly greater than with C₆₀ at all incident kinetic energies, with ¹²Ne₆₀ having the largest values. Application of the mesoscale energy deposition footprint (MEDF) model shows that the initial deposition of energy into the substrate is similar with all three projectiles. Snapshots of the initial pathway of the projectile atoms through the substrate show a similar lateral and vertical distribution that is centered in the region of the energy footprint. Therefore, the reason for the reduced yield with C₆₀ is that the C atoms form bonds with the Si atoms, which causes them to remain in the substrate instead of being sputtered.     

380 keV proton irradiation effects on photoluminescence of Eu-doped GaN

The effect of 380 keV proton irradiation on the photoluminescence (PL) properties has been investigated for undoped and Eu-doped GaN. As the proton irradiation exceeds , a drastic decrease of PL intensity of the near band-edge emission of undoped GaN was observed. On the other hand, for Eu-doped GaN, the PL emission corresponding to the ⁵D₀→⁷F₂ transition in Eu³⁺ kept the initial PL intensity after the proton irradiation up to . Present results, together with our previous report on electron irradiation results, suggest that Eu-doped GaN is a strong candidate for light emitting devices in high irradiation environment.     

Secondary electron yield of Au and Al2O3 surfaces from swift heavy ion impact in the 2.5-7.9 MeV/amu energy range

We report on the secondary electron yields of Au and oxidized aluminum (Al₂O₃) by impact of heavy ions with energies ranging from 7.92 MeV/amu (¹²C₆) to 2.54 MeV/amu (¹⁰⁷Ag₄₇). The obtained results, the first in this energy range using medium-heavy ions, extend the validity of proposed scaling laws obtained with lighter ions. Measurements have been performed using the SIRAD irradiation facility at the 15 MV Tandem of the INFN Laboratory of Legnaro (Italy), to evaluate the performance of ion electron emission microscopy at SIRAD.     

Grain boundary influence on displacement cascades in UO2: A molecular dynamics study

The influence of grain boundaries on the primary damage state created by a recoil nucleus in UO₂ matrix is studied here by molecular dynamics simulations. This study is divided in two steps: (1) the study of the structural properties of several symmetrical tilt boundaries for different misorientation angles ranging from 12.7° to 61.9°; and (2) the study of displacement cascades near these grain boundaries. For all the grain boundaries studied, the structure around the interface up to about 2 nm presents a perturbed but stable fluorite lattice. The type of defect at the interface depends directly on the value of the misorientation angles. For the small angles (12.7° and 16.3°) the interface defects correspond to edge dislocations. For higher misorientation angles, a gap of about 0.3 nm exists between the two halves of the bicrystal. This gap is composed of Schottky defects involving numerous vacancies along the interface. About 10 keV displacement cascades were initiated with an uranium projectile close to the interface. In all the cases, numerous point defects are created in the grain boundary core, and the mobility of these defects increases. However, cascade morphologies depend strongly on the grain boundary structure. For grain boundaries with edge dislocations, the evolution of the displacement cascades is similar to those carried out in monocrystals. On the other hand, cascades initiated in grain boundaries with vacancy layer defects present an asymmetry on the number of displaced atoms and the number of point defects created.     

Evaluation of melting point of UO2 by molecular dynamics simulation

The melting point of UO₂ has been evaluated by molecular dynamics simulation (MD) in terms of interatomic potential, pressure and Schottky defect concentration. The Born-Mayer-Huggins potentials with or without a Morse potential were explored in the present study. Two-phase simulation whose supercell at the initial state consisted of solid and liquid phases gave the melting point comparable to the experimental data using the potential proposed by Yakub. The heat of fusion was determined by the difference in enthalpy at the melting point. In addition, MD calculations showed that the melting point increased with pressure applied to the system. Thus, the Clausius-Clapeyron equation was verified. Furthermore, MD calculations clarified that an addition of Schottky defects, which generated the local disorder in the UO₂ crystal, lowered the melting point.     

Swift heavy ion induced structural modifications in zircon and scheelite phases of ThGeO4

Structural modifications in the zircon and scheelite phases of ThGeO₄ induced by swift heavy ions (93 MeV Ni⁷⁺) at different fluences as well as pressure quenching effects are reported. X-ray diffraction and Raman measurements at room temperature on the irradiated zircon phase of ThGeO₄ indicate the occurrence of stresses that lead to a reduction of the cell volume up to 2% followed by its transformation to a mixture of nano-crystalline and amorphous scheelite phases. Irradiation of the zircon phase at liquid nitrogen temperature induces amorphization at a lower fluence (7.5 × 10¹⁶ ions/m²), as compared to that at room temperature (6 × 10¹⁷ ions/m²). Scheelite type ThGeO₄ irradiated at room temperature undergoes complete amorphization at a lower fluence of 7.5 × 10¹⁶ ions/m² without any volume reduction. The track radii deduced from X-ray diffraction measurements on room temperature irradiated zircon, scheelite and low temperature irradiated zircon phases of ThGeO₄ are, 3.9, 3.5 and 4.5 nm, respectively. X-ray structural investigations on the zircon phase of ThGeO₄ recovered after pressurization to about 3.5 and 9 GPa at ambient temperature show the coexistence of zircon and disordered scheelite phases with a larger fraction of scheelite phase occurring at 9 GPa. On the other hand, the scheelite phase quenched from 9 GPa shows crystalline scheelite phase pattern.     

Structural studies of Ge nanocrystals embedded in SiO2 matrix

Germanium nanoparticles embedded in SiO₂ matrix were prepared by atom beam sputtering on a p-type Si substrate. The as-deposited films were annealed at temperatures of 973 and 1073 K under Ar + H₂ atmosphere. The as-deposited and annealed films were characterized by Raman, X-ray diffraction and Fourier transform infrared spectroscopy (FTIR). Rutherford backscattering spectrometry was used to quantify the concentration of Ge in the SiO₂ matrix of the composite thin films. The formation of Ge nanoparticles were observed from the enhanced intensity of the Ge mode in the Raman spectra as a function of annealing, the appearance of Ge(3 1 1) peaks in the X-ray diffraction data and the Ge vibrational mode in the FTIR spectra. We have irradiated the films using 100 MeV Au⁸⁺ ions with a fluence of 1 × 10¹³ ions/cm² and subsequently studied them by Raman and FTIR. The results are compared with the ones obtained by annealing.     

Possible diamond-like nanoscale structures induced by slow highly-charged ions on graphite (HOPG)

The interaction between slow highly-charged ions (SHCI) of different charge states from an electron-beam ion trap and highly-oriented pyrolytic graphite (HOPG) surfaces is studied in terms of modification of electronic states at single-ion impact nanosize areas. Results are presented from AFM/STM analysis of the induced-surface topological features combined with Raman spectroscopy. I-V characteristics for a number of different impact regions were measured with STM and the results argue for possible formation of diamond-like nanoscale structures at the impact sites.