Temperature-dependent surface modification of InSb(0 0 1) crystal by low-energy ion bombardment

Structural and compositional modification of InSb(0 0 1) single crystal surfaces induced by oblique incidence 2-5 keV Ar and Xe ion irradiation have been investigated by means of scanning tunneling and atomic force microscopies, and time-of-flight mass spectroscopy of secondary ion emission. In general, ion-induced patterns (networks of nanowires, or ripples) are angle of incidence- and fluence-dependent. Temperature dependences (from 300 to 600 K) of the RMS roughness and of the ripple wavelength have been determined for the samples bombarded with various fluences. Secondary ion emission from an InSb(0 0 1) surface exposed to 4.5 keV Ar⁺ ions has been investigated with a linear TOF spectrometer working in a static mode. Mass spectra of the sputtered In⁺, Sb⁺ and In₂⁺ secondary ions have been measured both for the non-bombarded (0 0 1) surface and for the surface previously exposed to a fluence of 10¹⁶ ions/cm². In⁺ and In₂⁺ intensities for the irradiated sample are much higher in comparison to the non-bombarded one, whereas Sb⁺ ions show a reversed tendency. This behavior suggests a significant In-enrichment at the InSb(0 0 1) surface caused by the ion bombardment.     

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.     

Temperature dependence of lattice disorder in Ar-irradiated (1 0 0), (1 1 0) and (1 1 1) MgO single crystals

To better appreciate dynamic annealing processes in ion irradiated MgO single crystals of three low-index crystallographic orientations, lattice damage variation with irradiation temperature was investigated. Irradiations were performed with 100 keV Ar ions to a fluence of 1 × 10¹⁵ Ar/cm² in a temperature interval from −150 to 1100 °C. Rutherford backscattering spectroscopy combined with ion channeling was used to analyze lattice damage. Damage recovery with increasing irradiation temperature proceeded via two characteristic stages separated by 200 °C. Strong radiation damage anisotropy was observed at temperatures below 200 °C, with (1 1 0) MgO being the most radiation damage tolerant. Above 200 °C damage recovery was isotropic and almost complete recovery was reached at 1100 °C. We attributed this orientation dependence to a variation of dynamic annealing mechanisms with irradiation temperature.     

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.     

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.     

Deposition of titanium nitride on Si(1 0 0) wafers using plasma focus

Titanium nitride thin films were deposited on Si(1 0 0) substrates by using a low energy (2.3 KJ) Mather-type plasma focus device. The composition of the deposited films was characterized by X-ray diffraction (XRD). The crystallite size has strong dependence on the numbers of focus shots. The crystallinity of TiN thin films is found to increase with increasing the number of focus shots. The effect of different number of focus shots on micro structural changes of thin films was characterized by Scanning Electron Microscope (SEM) and Atomic Force Microscope (AFM). SEM results showed net-like structure for film deposited for 15 numbers of shots, which are elongated grains of Si₃N₄ in amorphous form embedded into TiN crystals. The average surface roughness was calculated from AFM images of the thin films. These results indicated that the average surface roughness increased for films deposited with increased number of focus shots. The least crystallite size and roughness are observed for film deposited with 25 focus shots.     

Nanostructuring of BaF2 (1 1 1) surfaces by single slow highly charged ions

The creation of surface nanostructures in BaF₂ (1 1 1) surfaces was studied after irradiation with slow highly charged Xe ions from the Dresden-EBIT (electron beam ion trap). After irradiation, the crystals were investigated by scanning force microscopy (SFM). Using specific ion parameters, the topographic images show nanohillocks emerging from the surface. Additionally, we used the technique of selective chemical etching to reveal the lattice damage created by ion energy deposition below and above threshold needed for surface hillocks formation. The role of both potential and kinetic energy as well as a comparison with results for swift heavy ion irradiations of BaF₂ single crystals are presented.     

Modelling of deposition processes on the TiO2 rutile (1 1 0) surface

Deposition of Ti_xO_y clusters onto the rutile TiO₂ (1 1 0) surface has been modelled using empirical potential based molecular dynamics. Deposition energies in the range 10-40 eV have been considered so as to model typical deposition energies of magnetron sputtering. Defects formed as a function of both the deposition energy and deposition species have been studied.The results show that in the majority of cases Ti interstitial atoms are formed, irrespective of whether Ti was contained within the deposited cluster. Furthermore that the majority of these interstitials are formed by displacing a surface Ti atom into the interstitial site. O surface atoms are also relatively common, with Ti and TiO₂ surface units often occurring when the deposited cluster contains Ti but becoming less frequent as the deposition energy is increased. Structures that would give rise to the growth of further layers of rutile are not observed and in the majority of the simulations the energy barriers for diffusion of the end-products is high.     

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.     

Change in magnetic properties of MgB2 thin films after irradiation by 200 MeV Au ion beam

The SHI irradiation induced effects on magnetic properties of MgB₂ thin films are reported. The films having thickness 300-400 nm, prepared by hybrid physical chemical vapor deposition (HPCVD) were irradiated by 200 MeV Au ion beam (S_e ∼ 23 keV/nm) at the fluence 1 × 10¹² ion/cm². Interestingly, increase in the transition temperature T_c from 35.1 K to 36 K resulted after irradiation. Substantial enhancement of critical current density after irradiation was also observed because of the pinning provided by the defects created due to irradiation. The change in surface morphology due to irradiation is also studied.     

Microstructural analysis of an HT9 fuel assembly duct irradiated in FFTF to 155 dpa at 443 °C

The majority of data on the irradiation response of ferritic/martensitic steels has been derived from simple free-standing specimens irradiated in experimental assemblies under well-defined and near-constant conditions, while components of long-lived fuel assemblies are more complex in shape and will experience progressive changes in environmental conditions. To explore whether the resistance of HT9 to void swelling is maintained under more realistic operating conditions, the radiation-induced microstructure of an HT9 ferritic/martensitic hexagonal duct was examined following a six-year irradiation of a fuel assembly in the Fast Flux Test Reactor Facility (FFTF). The calculated irradiation exposure and average operating temperature of the duct at the location examined were ∼155 dpa at ∼443 °C. It was found that dislocation networks were predominantly composed of (a/2)<1 1 1> Burgers vectors. Surprisingly, for such a large irradiation dose, type a<1 0 0> interstitial loops were observed. Additionally, a high density of precipitation occurred. These two microstructural characteristics may have contributed to the rather low swelling level of 0.3%.     

Strain-driven (0 0 2) preferred orientation of ZnO nanoparticles in ion-implanted silica

We present an experimental and theoretical study on the structural properties of ZnO nanoparticles embedded in silica. The ZnO-SiO₂ nanocomposite was prepared by ion implanting a Zn⁺ beam in a silica slide and by annealing in oxidizing atmosphere at 800 °C. From an experimental point of view, the structural properties of the ZnO-SiO₂ nanocomposite were studied by using glancing incidence X-ray diffraction. According to the results, zinc crystalline nanoclusters with an average diameter of 13 nm are in the as-implanted sample. The annealing in oxidizing atmosphere promotes the total oxidation of the Zn nanoclusters and increases their size until to an average of 22 nm. Moreover, the formed ZnO nanocrystals have a preferential (0 0 2) crystallographic orientation. From a theoretical point of view, the preferential orientation of the ZnO nanoparticles can be explained satisfactory by the minimization of the strain energy of the nanoparticles placed in proximity of the surface of the matrix.     

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.     

Energetics and self-diffusion behavior of Zr atomic clusters on a Zr(0 0 0 1) surface

Using a molecular dynamics method and a modified analytic embedded atom potential, the energetic and the self-diffusion dynamics of Zr atomic clusters up to eight atoms on α-Zr(0 0 0 1) surface have been studied. The simulation temperature ranges from 300 to 1100 K and the simulation time varies from 20 to 40 ns. It’s found that the heptamer and trimer are more stable comparing to other neighboring non-compact clusters. The diffusion coefficients of clusters are derived from the mean square displacement of cluster’s mass-center and the present diffusion coefficients for clusters exhibit an Arrhenius behavior. The Arrhenius relation of the single adatom can be divided into two parts in different temperature range because of their different diffusion mechanisms. The migration energies of clusters increase with increasing the number of atoms in cluster. The differences of the prefactors also come from the diverse diffusion mechanisms. On the facet of 60 nm, the heptamer can be the nuclei in the crystal growth below 370 K.     

Oxygen deficiency and excess of rutile titania (1 1 0) surfaces analyzed by ion scattering coupled with elastic recoil detection

Oxygen deficiency and excess of rutile titania (TiO₂) surfaces are important factors for catalytic activities of metal nano-particles on the TiO₂ supports. Medium energy ion scattering (MEIS; 80 keV He⁺) coupled with elastic recoil detection analysis (ERD; 150 keV Ne⁺) can determine the numbers of bridging O (O_br) vacancies (V_O) and excess O atoms adsorbed on the 5-fold Ti rows of TiO₂(1 1 0) surfaces. The amounts of V_O and adsorbed O were derived by H₂O and ¹⁸O₂ exposure followed by ERD and MEIS analyses, respectively. The present analysis revealed that only about a half of V_O are filled and a comparable amount of O atoms are adsorbed on the reduced TiO₂(1 1 0) surface after exposure to O₂ (1000 L; 1 L = 1 × 10⁻⁶ Torr s) at room temperature (RT). We also detected the adsorbed O for the hydroxylated TiO₂(1 1 0) after ¹⁸O₂ exposure at RT. Finally, it is shown that the O adsorbed on the Ti rows reacts with CO probably to form CO₂ at RT. Based on the results obtained here, we clarify the reason why only a half of V_O are filled by exposing reduced surface to O₂ at RT and what is the primary source of subsurface excess electronic charge, which acts as a leading part of the surface electrochemistry and gives the defect state in the band gap seen in the valence band spectra for reduced and hydroxylated TiO₂(1 1 0) surfaces.     

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.     

Surface roughness of ion-bombarded Si(1 0 0) surfaces: Roughening and smoothing with the same roughness exponent

We have carried out scanning tunneling microscopy experiments under ultrahigh vacuum condition to study the roughness of pristine as well as ion-bombarded Si(1 0 0) surfaces and of ultrathin Ge films deposited on them. One half of a Si(1 0 0) sample (with native oxide layer) was irradiated at room temperature using 45 keV Si⁻ ions at a fluence of 4 × 10¹⁵ ions/cm² while the other half was masked. STM measurements were then carried out on the unirradiated as well as the irradiated half of the sample. Root-mean-square (rms) roughness of both the halves of the sample has been measured as a function of STM scan size. Below a length scale of ∼30 nm we observe surface smoothing and surface roughening is observed for length scales above this value. However, the surface is self-affine up to length scales of ∼200 nm and the observed roughness exponent of 0.46 ± 0.04 is comparable to earlier cases of ion sputtering studies where only roughening [J. Krim, I. Heyvart, D.V. Haesendonck, Y. Bruynseraede, Phys. Rev. Lett. 70 (1993) 57] or only smoothing [D.K. Goswami, B.N. Dev, Phys. Rev. B 68 (2003) 033401] was observed. Preliminary results involving morphology for Ge deposition on clean ion-irradiated and pristine Si(1 0 0) surfaces are presented.     

Ion beam characterization of rf-sputter deposited AlN films on Si(1 1 1)

Aluminum nitride (AlN) thin films have been deposited on Si(1 1 1) substrates by using reactive-rf-magnetron-sputtering at 250 °C. The crystalline quality and orientation of the films have been studied by X-ray diffraction (XRD). We have observed that the films grow with c- or a-axis orientation. The composition, film thickness, impurities and stress are considered to be factors affecting the orientation and have been analyzed by Rutherford backscattering spectroscopy (RBS), nuclear reaction analysis (NRA) and XRD. Their effects on the film growth will be discussed. Surface morphology of the films will be also presented.     

Fast atom diffraction for grazing scattering of Ne atoms from a LiF(0 0 1) surface

Angular distributions of fast Ne atoms after grazing collisions with a LiF(0 0 1) surface under axial surface channeling conditions are experimentally and theoretically studied. We use the surface eikonal approximation to describe the quantum interference of scattered projectiles, while the atom-surface interaction is represented by means of a pairwise additive potential, including the polarization of the projectile atom. Experimental data serve as a benchmark to investigate the performance of the proposed potential model, analyzing the role played by the projectile polarization.