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.     

Anisotropic rearrangement of the substrate atoms during Ar bombardment on Pd(0 0 1) surface

Using a three-dimensional molecular dynamics (MD) simulation, we investigated the atomic scale rearrangement that occurs on a Pd(0 0 1) surface after energetic bombardment by Ar at room temperature. High energy Ar bombardment provoked the significant rearrangement of Pd atoms in a ballistic manner with a fourfold symmetric lateral distribution aligned along the 〈1 1 0〉 direction. The MD simulation of uniform Ar bombardment at normal incidence on a Pd surface reproduced the experimentally observed fourfold symmetric nano-scale surface structure. The present result supports that the ballistic rearrangement of the substrate atoms plays an important role in the ion induced surface structure evolution.     

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.     

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.     

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.     

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.     

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.     

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.     

On a peculiarity of low-energy ion scattering from a well-ordered bcc W(2 1 1) surface

A peculiarity in the backscattering of keV He⁺ ions by a well-ordered high-purity W(2 1 1) surface is reported. Besides the normal elastic binary collision peak and the low-energy tail due to backscattering in deeper layers, an extra peak is observed for an inelastic loss of about 95 eV. This unusually large loss has a constant value over a wide range of primary energies (1.5-4.5 keV). An extra peculiarity is that the peak is only observed for the scattering in normal incidence towards the (2 1 1) plane. It is also not seen for polycrystalline W. The energy loss may be due to a quasi-double or -triple collisions of He particles with the row-trough structure of W(2 1 1) involving electronic excitation of both He and W atoms. Alternatively it may be due to a special channeling/dechanneling process for the incident ions.     

Ionization probability of secondary ions sputtered from Si(1 1 1) and Ge(1 1 1) surfaces

We have measured the energy distributions of the secondary ions sputtered from the Si(1 1 1) and Ge(1 1 1) surfaces and investigated the ionization probabilities of sputtered Si⁺ and Ge⁺ ions for clarifying their ionization mechanisms. The observed ionization probabilities depend on the velocity of Si⁺ and Ge⁺ ions. This velocity dependence can be successfully analyzed by a theoretical expression, which was proposed originally for the metal surfaces. This implies that the ionization mechanism of Si⁺ and Ge⁺ ions is the same as ions sputtered from the metal surface, i.e., the resonant electron transfer in the high velocity regime and the thermal excitation process in the low velocity regime. The difference in the ionization probability between Si⁺ and Ge⁺ ions is well explained by the difference in the band gap energy.     

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.     

Low-energy ion scattering and sputtering at grazing ion bombardment of clean and oxygen covered Ag(1 1 0) surface

The ion scattering and sputtering processes at low energy grazing N⁺ and Ne⁺ ion bombardment of clean and oxygen covered Ag(1 1 0) surface have been investigated by computer simulation in the binary collision approximation.

The spatial, angular and energy distributions of scattered, sputtered particles and desorbed molecules of oxygen as well as their yields versus the angle of incidence have been calculated. In these distributions the some characteristic peaks were observed and analysed. It was found that an adsorption layer plays a role of the additional surface barrier, i.e. it reflects leaving target atoms back to crystal. The azimuth angular dependencies of Ag sputtering yield and non-dissociative O₂ desorption yield at grazing incidence have been calculated. It was shown that these dependencies correlate the crystal orientation.     

Grazing scattering of 1-2 MeV HeH ions from KCl(0 0 1): Effect of surface track potential

Three dimensional (3D) distributions (energy E, scattering angle θ and azimuth angle φ) of the fragment protons dissociated from HeH⁺ during grazing angle scattering from a KCl(0 0 1) are measured using a magnetic spectrometer in order to study the effect of the surface track potential. The distributions of the fragment protons scattered from a SnTe(0 0 1) are also measured as a reference. Although the observed distributions for KCl(0 0 1) and SnTe(0 0 1) are basically the same, there is small differences, especially in the scattering angle distribution. While the fragment protons are scattered at the specular angle from SnTe(0 0 1), the protons are scattered at slightly larger angles from KCl(0 0 1). The observed angular shift is more pronounced for the trailing protons than the leading protons. It is also found that the angular shift increases with decreasing ion energy. The observed angular shift can be qualitatively explained by the surface track potential induced by the partner He ions using a simple model of the surface track potential.     

Growth of TiO2 surfaces following low energy (<40 eV) atom and small cluster bombardment

Low energy (10-40 eV) interaction of small Ti_xO_y clusters with a rutile (1 1 0) substrate was investigated using molecular dynamics with the aim of determining the influence of various parameters on surface growth and defect formation. Rutile growth was simulated through depositing randomly selected clusters with energies in the tens of eV range. Long time scale evolution was approximated through heating the substrate. A modified second-moment-Buckingham-QEq (SMB-Q) empirical potential was developed for the purpose. Crystal growth on amorphous and anatase TiO₂ substrates was also considered. Grown lattice layers were compared by visual inspection along with radial distribution function (RDF) plots. Bombardment at an energy of around 20 eV in an oxygen rich atmosphere with a high proportion of bombarding clusters, TiO, TiO₂, as opposed to single atoms, was found to produce rutile growth with the best crystallinity.     

Be AMS measurements at low energies (E < 1 MeV)

The longlived isotope ¹⁰Be is of great importance in earth sciences for dating applications, reconstruction of the solar activity or in climate research. Routine AMS measurements with BeO samples are performed on accelerators with a terminal voltage above 2 MV. Applying the degrader foil technique for boron suppression, first tests with BeO samples on the 0.6 MV ETH/PSI machine were limited by background to a ¹⁰Be/⁹Be ratio of 10⁻¹³. The background was identified as ⁹Be which reaches the detector by scattering processes. By applying an additional magnetic mass filter to the high energy mass spectrometer the background was effectively removed. A ¹⁰Be/⁹Be background ratio of <5 × 10⁻¹⁵ was achieved. The overall efficiency (detected ¹⁰Be compared to BeO⁻ injected into the accelerator) was 7-8%.     

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.     

Negative ions, energy loss, and electron emission during grazing scattering of fast H and He atoms from a clean and oxidized NiAl(1 1 0) surface

Negative ion fractions, projectile energy loss, and the emission of electrons is studied for grazing scattering of hydrogen and helium atoms/ions from a clean and oxidized NiAl(1 1 0) surface. Making use of translation energy spectroscopy and the coincident detection of the number of emitted electrons we have studied the electronic interaction mechanisms for the change from a clean metal target to an insulator surface via the preparation of a well defined ultrathin alumina film on top of the metal substrate. We find that already for a monolayer thick oxide film the characteristic different features of electronic processes for the surface of an insulator crystal are present.     

Enhanced susceptibility of CaF2(1 1 1) to adsorption due to ion irradiation

We have investigated morphological changes of freshly cleaved CaF₂(1 1 1) single crystal surfaces before and after ion irradiation. We show that with or without irradiation the surface undergoes serious changes within minutes after the cleavage if the samples are exposed to ambient conditions. This is most likely due to the adsorption of water and could be avoided only if working under clean ultra-high-vacuum conditions. Ion-induced modifications on this surface seem to act as centers for an increased rate of adsorption so that any quantitative numbers obtained by atomic force microscopy in such experiments have to be treated with caution.