MD simulations to evaluate effects of applied tensile strain on irradiation-induced defect production at various PKA energies

Molecular Dynamics (MD) simulations were conducted to investigate the influence of applied tensile strain on defect production during cascade damages at various Primary Knock-on Atom (PKA) energies of 1–30 keV. When 1% strain was applied, the number of surviving defects increased at PKA energies higher than 5 keV, although they did not increase at 1 keV. The rate of increase by strain application was higher with higher PKA energy, and attained the maximum at 20 keV PKA energy with a subsequent gradual decrease at 30 keV PKA energy The cluster size, mostly affected by strain, was larger with higher PKA energy, although clusters with fewer than seven interstitials did not increase in number at any PKA energy.     

Study of crater formation and sputtering process with large gas cluster impact by molecular dynamics simulations

Molecular dynamics (MD) simulations of large argon clusters impacting on silicon solid targets were performed in order to study the transient process of crater formation and sputtering. The MD simulations demonstrate that the initial momentum of incident cluster is transferred to target surface atoms through multiple collision mechanism, where the initial momentum, which is along to the surface normal before impact, is deflected to lateral direction. This momentum transfer process was analyzed by the calculation of the velocity at the crater edge (the interface between cluster and target). In the case of Ar₁₀₀₀ cluster impact on Si(1 0 0) target at low energy per atom less than 40 eV/atom, the maximum value of lateral velocity of the crater edge increases in proportional to the velocity of incident cluster atoms. On the other hand, the crater edge velocity saturates over 40 eV/atom of incident energy per atom. In this case, the whole of constituent cluster atoms are implanted into the target and expand in both lateral and reflective directions at the subsurface region of the target. These MD simulations demonstrated that this collisional process result in the high yield sputtering of the target atoms.     

Investigation of cascade-induced re-solution from nanometer sized coherent precipitates in dilute Fe–Cu alloys

Molecular dynamics (MD) simulations have been used to investigate the re-solution of copper atoms from coherent, nanometer-sized copper precipitates in a body-centered cubic iron matrix. The molecular dynamics simulations used Finnis–Sinclair type interatomic potentials to describe the Fe–Cu system. Precipitate diameters of 1, 3 and 5 nm were studied, with primary knock-on atom (PKA) from 1 to 100 keV, although the majority of the cascade simulations and analysis of solute re-solution were performed for cascades of 10 or 20 keV. The simulation results provide an assessment of the re-solution on a per-atom basis as a function of precipitate size, cascade location and energy. Smaller sized precipitates, with a larger surface to volume ratio, experienced larger re-solution on a per-atom basis than larger precipitates. Re-solution was observed to occur predominantly in the initial ballistic stages of the cascades when atomic collisions occur at high kinetic energy. A minimum PKA energy of around 1 keV was required to produce re-solution, and the amount of re-solution appears to saturate for PKA energies above approximately 10 keV, indicating that the MD results are representative of the energy range of interest. A model for prompt, cascade induced solute atom re-solution has been derived, following the approach used to describe fission gas bubble re-solution, and the parameters for describing copper atom re-solution are provided.     

High-speed processing with Cl2 cluster ion beam

Cluster ion beam processes can produce high rate sputtering with low damage compared with monomer ion beam processes. Cl₂ cluster ion beams with different size distributions were generated with controlling the ionization conditions. Size distributions were measured using the time-of-flight (TOF) method. Si substrates and SiO₂ films were irradiated with the Cl₂ cluster ions at acceleration energies of 10–30 keV and the etching ratio of Si/SiO₂ was investigated. The sputtering yield increased with acceleration energy and was a few thousand times higher than that of Ar monomer ions. The sputtering yield of Cl₂ cluster ions was about 4400 atoms/ion at 30 keV acceleration energy. The etching ratio of Si/SiO₂ was above eight at acceleration energies in the range 10–30 keV. Thus, SiO₂ can be used as a mask for irradiation with Cl₂ cluster ion beam, which is an advantage for semiconductor processing. In order to keep high sputtering yield and high etching ratio, the cluster size needs to be sufficiently large and size control is important.     

Damage analysis of benzene induced by keV fullerene bombardment

Molecular dynamics computer simulations have been used to investigate the damage of a benzene crystal induced by 5 keV C₂₀, C₆₀, C₁₂₀ and C₁₈₀ fullerene bombardment. The sputtering yield, the mass distributions, and the depth distributions of ejected organic molecules are analyzed as a function of the size of the projectile. The results indicate that all impinging clusters lead to the creation of almost hemispherical craters, and the process of crater formation only slightly depends on the size of the fullerene projectile. The total sputtering yield as well as the efficiency of molecular fragmentation are the largest for 5 keV C₂₀, and decrease with the size of the projectile. Most of the molecules damaged by the projectile impact are ejected into the vacuum during cluster irradiation. Similar behavior does not occur during atomic bombardment where a large portion of fragmented benzene molecules remain inside the crystal after projectile impact. This “cleaning up” effect may explain why secondary ion mass spectrometry (SIMS) analysis of some organic samples with cluster projectiles can produce significantly less accumulated damage compared to analysis performed with atomic ion beams.     

CdTe detector use for PIXE characterization of TbCoFe thin films

Peltier cooled CdTe detectors have good efficiency beyond the range of energies normally covered by Si(Li) detectors, the most common detectors in PIXE applications. An important advantage of CdTe detectors is the possibility of studying K X-rays lines instead the L X-rays lines in various cases since CdTe detectors present an energy efficiency plateau reaching 70 keV or more. The ITN CdTe useful energy range starts at K-K_α (3.312 keV) and goes up to 120 keV, just above the energy of the lowest γ-ray of the ¹⁹F(p, p’γ)¹⁹F reaction. In the new ITN HRHE-PIXE line, a CdTe detector is associated to a POLARIS microcalorimeter X-ray detector built by Vericold Technologies GmbH (an Oxford Instruments Group Company). The ITN POLARIS has a resolution of 15 eV at 1.486 keV (Al-K_α) and 24 eV at 10.550 keV (Pb-L_α1). In the present work, a TbCoFe thin film deposited on a Si substrate was analysed at the HRHE-PIXE system. The good efficiency of the CdTe detector at 45 keV (Tb-K_α), and the excellent resolution of POLARIS microcalorimeter at 6.403 keV (Fe-K_α), are presented and the new possibilities open to the IBA analysis of systems with traditionally overlapping X-rays and near mass elements are discussed.     

Mapping of ion beam induced current changes in FinFETs

We report on progress in ion placement into silicon devices with scanning probe alignment. The device is imaged with a scanning force microscope (SFM) and an aligned argon beam (20 keV, 36 keV) is scanned over the transistor surface. Holes in the lever of the SFM tip collimate the argon beam to sizes of 1.6 μm and 100 nm in diameter. Ion impacts upset the channel current due to formation of positive charges in the oxide areas. The induced changes in the source–drain current are recorded in dependence of the ion beam position with respect to the FinFET. Maps of local areas responding to the ion beam are obtained.     

Repulsive potentials for low energy projectiles incident on copper surfaces

Interatomic potentials that are relevant for low energy (<2 keV) projectiles (X = He, Cl, Ar, Cu) incident on the Cu(1 0 0) and Cu(1 1 1) surfaces (represented by Cu₁₀ clusters), and on isolated Cu atoms, have been calculated from first principles using density functional theory. For energies above 10–20 eV, the diatomic X–Cu potentials provide acceptable approximations (typically within 1–2 eV) to the corresponding potentials for the surface environment.     

Defect studies in ion irradiated AlGaN

Defects created in Al_0.4Ga_0.6N crystals by 320 keV Ar ion irradiation were studied using Rutherford Backscattering Spectroscopy/Channeling (RBS/C) and Transmission Electron Microscopy (TEM) techniques. One of the main aims of the work was to use a revised version of McChasy, a Monte-Carlo simulation code of backscattering spectra, for the analysis of experimental results obtained for a dislocation-containing crystal. TEM was used to get a better insight into dislocation and dislocation loop geometries in order to restrict the range of parameters used in simulations. RBS/C analysis was performed in a 1.5–3 MeV energy range to check if MC simulations correctly reproduce backscattering spectra at different energies.     

Determination of the sticking coefficient of energetic hydrocarbon molecules by molecular dynamics

The sticking coefficient of hydrocarbon species is a key quantity that influences the growth process of amorphous hydrocarbon layers. To extend the very limited database for low impact energies, classical molecular dynamics simulations were performed, determining the sticking coefficients of CH_x (x = 0 … 4) with kinetic energies between 5 and 100 eV. Similar simulations are performed with hydrogen substituted by deuterium. Additionally, analytical formulas are presented that fit the data very well and can be used to interpolate the simulation results.     

Stopping cross-section and energy straggling of protons in SiC obtained by nuclear resonant reaction of protons with 12C and 28Si

In order to evaluate stopping cross-section and energy straggling of protons in compound material SiC and its constituents C and Si, resonant backscattering spectra have been measured using proton beams in an energy range 4.9–6.1 MeV per a 100 keV step. We have observed two sharp nuclear resonances at proton energies of 4.808 MeV by ¹²C and 4.879 MeV by ²⁸Si. By systematic analyses of the resonance peak profiles, i.e., energy shift of the peak position and broadening of the peak width, the values of the stopping cross-section and the energy straggling have been deduced to be compared with SRIM-2006 and Bohr’s prediction.     

Effect of keV ion irradiation on mechanical properties of hydrogenated amorphous silicon

The susceptibility of mechanical properties of hydrogenated amorphous silicon (a-Si:H) to the implantation-enhanced disorder has been studied with the aim to extend the application field of this material in the technology of micro-electromechanical systems. Effect of keV ion irradiation on the elastic modulus, E, of hardness, H, and of root-mean-squared roughness to silicon ion implantation has been determined. The mechanical properties were evaluated by nanoindentation testing. E of 119 GPa and H of 12.3 GPa were determined for the as-prepared a-Si:H film. The implantation of silicon ions leads to a decrease in E and H, evaluated for a series of the implantation fluences in the range of 1.0 × 10¹³–5.0 × 10¹⁶ cm^?2. Surface smoothing has been observed at high fluences and low ion energy of 18 keV, suggesting that ion beam may be used as a tool to reduce the roughness of the a-Si:H surface, while keeping intact the mechanical properties inside the film. The conducted experiments show that it is possible to prepare a-Si:H films with hardness and smoothness comparable to crystalline silicon.     

Determination of differential cross-sections for the natK(p, p0) and 39K(p, α0) reactions in the backscattering geometry

In the present work, new, differential cross-section values are presented for the ^natK(p, p₀) reaction in the energy range E_lab = 3000–5000 keV (with an energy step of 25 keV) and for detector angles between 140° and 170° (with an angular step of 10°). A qualitative discussion of the observed cross-section variations through the influence of strong, closely spaced resonances in the p + ³⁹K system is also presented. Information has also been extracted concerning the ³⁹K(p,α₀) reaction for E_lab = 4000–5000 keV in the same angular range. As a result, more than ～500 data points will soon be available to the scientific community through IBANDL (Ion Beam Analysis Nuclear Data Library – http://www-nds.iaea.org/ibandl/) and could thus be incorporated in widely used IBA algorithms (e.g. SIMNRA, WINDF, etc.) for potassium depth profiling at relatively high proton beam energies.     

Micro-Raman depth profile investigations of beveled Al+-ion implanted 6H-SiC samples

6H-SiC single crystals were implanted with 450 keV Al⁺-ions to a fluence of 3.4 × 10¹⁵ cm^?2 , and in a separate experiment subjected to multiple Al⁺ implantations with the four energies: 450, 240, 115 and 50 keV and different fluences to obtain rectangular-like depth distributions of Al in SiC. The implantations were performed along [0 0 0 1] channeling and non-channeling (“random”) directions. Subsequently, the samples were annealed for 10 min at 1650 °C in an argon atmosphere. The depth profiles of the implanted Al atoms were obtained by secondary ion mass spectrometry (SIMS). Following implantation and annealing, the samples were beveled by mechanical polishing. Confocal micro-Raman spectroscopic investigations were performed with a 532 nm wavelength laser beam of a 1 μm focus diameter. The technique was used to determine precisely the depth profiles of TO and LO phonon lines intensity in the beveled samples to a depth of about 2000 nm. Micro-Raman spectroscopy was also found to be useful in monitoring very low levels of disorder remaining in the Al⁺ implanted and annealed 6H-SiC samples. The micro-Raman technique combined with sample beveling also made it possible the determination of optical absorption coefficient profiles in implanted subsurface layers.     

AFM surface investigation of polyethylene modified by ion bombardment

Polyethylene (PE) was irradiated with 63 keV Ar⁺ and 155 keV Xe⁺ ions to fluences of 1 × 10¹³ to 3 × 10¹⁵ cm⁻² with ion energies being chosen in order to achieve approximately the same penetration depth for both species. The PE surface morphology was examined by means of atomic force microscopy (AFM), whereas the concentration of free radicals and conjugated double bonds, both created by the ion irradiation, were determined using electron paramagnetic resonance (EPR) and UV–VIS spectroscopy, respectively. As expected, the degradation of PE was higher after irradiation with heavier Xe⁺ ions but the changes in the PE surface morphology were more pronounced for Ar⁺ ions. This newly observed effect can be explained by stronger compaction of the PE surface layer in the case of the Xe⁺ irradiation, connected with a reduction of free volume available.     

Effect of <200 keV proton radiation on electric properties of silicon solar cells at 77 K

The change in electric properties of back-field silicon solar cells was investigated under the irradiation of protons with the energies less than 200 keV at 77 K. Experimental results showed that the short circuit current, maximum output power and open circuit voltage decrease to different extent with increasing the fluence and energy of protons. Under the 120 keV proton irradiation for the fluence of 1 × 10¹⁶ cm⁻², a large amount of radiation-induced defects with the energy level H1 +0.47 eV were formed. In terms of analyzing the time dependence of electric properties, the performance lifetime of the silicon cells under the exposure of <200 keV protons was predicted.     

Combination of resonance integral and Maxwellian 30 keV data – A sensitive test of the resonance region

This paper presents the approach of a combined use of resonance integrals and average Maxwellian cross sections (MACS) at kT = 30 keV to test and validate the resolved resonance range or its reconstructed cross section curve. Based on these two integral measurements a sensitive and energy dependent test can be provided. These two integral quantities cover with their neutron spectra the energy region between E_n = 0.5 eV up to several hundred keV, respectively, with different weighting. Our principal motivation is to produce a validation tool, sensitive to the lower and upper parts of the resonance region through the difference in the applied 1/E and kT = 30 keV Maxwell–Boltzmann spectra of the resonance integral and MACS data.     

Nanoscale metal-silicide films prepared by surfactant sputtering and analyzed by RBS

Surfactant sputtering has been applied to modify the surface structure of Si substrates and to produce ultrathin metal-silicide films with nickel and platinum surfactants, utilizing the steady state coverage of a Si-substrate surface with surfactant atoms simultaneously during sputter erosion by combined ion irradiation and surfactant atom deposition. Si (1 0 0) substrates were eroded using 5 keV Xe-ions and 10–30 keV Ar ions at incident angles of 65° and 70° with fluences of up to 2 × 10¹⁸/cm² under continuous sputter deposition of platinum and nickel from targets irradiated simultaneously by the same ion beam. These surfactant atoms form metal-silicides in the surface near region and strongly modify the substrate sputter yield and the surface nanostructure. Atomic force microscopy and scanning electron microscopy were carried out to observe a transition of surface topography from ripple to relief patterns, granular patterns or smooth surfaces. The Si and metal sputter yield as function of the steady state metal coverage were determined by combination of Rutherford-backscattering spectroscopy (RBS) and profilometry. The composition and the depth distributions of metal-silicide films were analyzed via high-resolution RBS and transmission electron microscopy. We show that RBS results in comparison with SRIM and TRIDYN sputter yield simulations allows us to identify the silicide surface structure on the nanometer scale.     

Characterisation of inhomogeneous inclusions in Darwin glass using ion beam analysis

Darwin glass is an impact glass resulting from the melting of local rocks during the meteorite impact that formed the 1.2 km diameter Darwin Crater in western Tasmania. These glass samples have small spheroidal inclusions, typically a few tens of microns in diameter, that are of great interest to the geologists. We have analysed one such inclusion in detail with proton microbeam ion beam analysis (IBA). A highly heterogeneous composition is observed, both laterally and in depth, by using self-consistent fitting of photon emission and particle backscattering spectra. With various proton energies near 2 MeV we excite the ¹²C(p,p)¹²C resonance at 1734 keV at various depths, and thus we can probe both the C concentration, and also the energy straggling of the proton beam as a function of depth which gives information on the sample structure. This inclusion has an average composition of (C, O, Si) = (28, 56, 16) mol% with S, K, Ca, Ti and Fe as minor elements and Cr, Mn, Ni, Cu, Zn and Br as trace elements. This composition includes, at specific points, an elemental depth profile and a density variation with depth consistent with discrete quartz crystals a few microns in size.     

Energy loss of protons in carbon nanotubes: Experiments and calculations

We have studied the energy loss of protons in multi-walled carbon nanotube (MWCNT) samples, both experimentally and theoretically. The experiments were done in transmission geometry, using 6 and 10 keV proton beams, with the MWCNT targets dispersed on top of a ～20 nm-thick holey carbon coated TEM grid (amorphous carbon film, a-C). The energy loss of protons interacting with the MWCNTs and the amorphous carbon film is obtained after analyzing the signals coming from both types of carbon allotropes. The electronic energy loss of protons is calculated using the dielectric formalism, with the target energy loss function built from optical data. Comparison of experimental and theoretical data indicates that model calculations appropriate for three-dimensional (bulk) targets substantially overestimate the energy loss to MWCNTs. In contrast, a recent parameterization of the dielectric function of MWCNTs predicts significantly lower stopping power values compared to the bulk models, which is more in line with the present experimental data when considering the additional stopping mechanisms that are effective in the keV range.