Sputtering studies with the Monte Carlo Program TRIM.SP

The Monte Carlo Program TRIM.SP (sputtering version of TRIM) was used to determine sputtering yields and energy and angular distributions of sputtered particles in physical (collisional) sputtering processes. The output is set up to distinguish between the contributions of primary and secondary knock-on atoms as caused by in- and outgoing incident ions, in order to get a better understanding of the sputtering mechanisms and to check on previous theoretical models. The influence of the interatomic potential and the inelastic energy loss model as well as the surface binding energy on the sputtering yield is investigated. Further results are sputtering yields versus incident energy and angle as well as total angular distributions of sputtered particles and energy distributions in specific solid angles for non-normal incidence. The calculated data are compared with experimental results as far as possible. From this comparison it turns out that the TRIM.SP is able to reproduce experimental results even in very special details of angular and energy distributions.     

Self-sputtering and reflection

Selfsputtering and reflection are investigated with the Monte Carlo program TRIMSP. The results include particle and energy reflection coefficients, sputtering yields and sputtered energy versus incident angle and energy. Angular and energy distributions of reflected and sputtered particles are also given. Reflection and sputtering values are compared to show their contributions to selfsputtering. A comparison of calculated sputtering yields and sputtering efficiencies (sputtered and reflected energy) with experimental data is carried out. The systems investigated are mainly the bombardement of C, Ni, and W with self-ions at low energies. All global results are summarized in graphs, where scaling properties are utilized including the sputtering yield in a generalized form.     

Sputtering—a review of some recent experimental and theoretical aspects

After a brief outline of the present sputtering theory for a random solid, recent results of the sputtering yieldS for polycrystalline targets are discussed, in particular in view of the influence of the projectile mass and the bombarding angle. The angle dependence ofS at low bombarding energies, and results on the angular distribution of sputtered particles for oblique ion incidence point out necessary modifications of present sputtering theories with respect to the anisotropy of the collision cascades in the solid and the influence of the target surface. The energy distribution of the neutral particles ejected along the target normals is related to the theoretically predictedE ^?2-distribution of low energy recoils in the Recent mass spectrometric studies of postionized sputtered neutrals are discussed in view of the formation of sputtered molecules and the application of sputtered neutral mass spectroscopy for surface analysis. Finally, the paper deals with ion-induced surface effects on non-elementary sputtering targets, and the protracted removal of foreign atoms from a matrix.     

Diagnostics of sputtering processes of carbon and carbides by laser-induced fluorescence spectroscopy in the VUV at 166 nm

Measurements of velocity distributions of C, B, and Si atoms released in sputtering processes from graphite and carbide targets bombarded with noble gas ions in the 1 keV range are described. Laser-induced fluorescence spectroscopy in the VUV is applied. The VUV radiation necessary to excite the sputtered atoms is provided by stimulated anti-Stokes Raman scattering (SARS) in H₂. Surface binding energies are derived from measured velocity distributions; concentrations of sputtered particles, fluxes and sputtering yields are determined.     

MONTE CARLO STUDIES OF RADIATION DAMAGE INDUCED BY FUSION:DYNAMIC SIMULATION OF SPUTTERING

In this paper, the sputtering caused by fusion of ⁴He particles in the first wall materials is investigated by using the dynamic Monte Carlo simulation, which is based on the binary collision approximation. The dependences of sputtering yields on the incident energy and angle, as well as the comparisons of results calculated using the Monte Carlo methed with results from experiments, are discussed. Energy spectrum and angular distributions of sputtered species, the depth of origin of the sputtered particles as well as range distributions of incident ions are given. From a comparison between the related experimental data and the calculated results with static and dynamic simulation it has been found that a better agreement is obtained for dynamic simulation.     

Simulation of boron nitride sputtering process and its comparisonwith experimental data

In the paper, TRIM and TRIDYN simulation codes were used to simulate the sputtering processes of boron nitride (BN) films during bombardment of ions. The TRIM and TRIDYN codes are applicable to the simulation of sputtering processes of different target materials with amorphous and polycrystalline structure. The results of the simulations are compared with experimental data. The sputtering experiments of polycrystalline hexagonal BN (h-BN) and cubic BN (c-BN) films were performed in a Commonwealth Scientific Corporation (CSC) 38-cm ion beam source device. The comparison of calculated and experimental results indicated that a) the experimental sputtering yields of h-BN and c-BN films bombarded with Ar⁺ ions versus the angle of incidence are in reasonable agreement with the calculated results; b) the sputtering yields of h-BN and c-BN bombarded with Ar⁺ are nearly of the same values versus the angle of incidence-preferential sputtering of h-BN was not found; c) the calculated sputtering. Yields of BN as a function of Ar⁺ ion energy are very sensitive to values of the surface binding energy (SEE); and d) surface binding energy between 2 and 3 eV for BN appears to be reasonable for the simulation of sputtering process of h-BN and c-BN films     

Probability of ionization of sputtered particles as a function of their energy: Part I: Negative Si ions

In this study we have investigated how the probability of ionization of sputtered Si atoms to form negative ions depends on the energy of the atoms. We have determined the ionization probability from experimental SIMS energy distributions using a special experimental technique, which included de-convolution of the energy distribution with an instrumental transmission function, found by separate measurements.We found that the ionization probability increases as a power law ∼E^0.677 for particles sputtered with energies of 0-10 eV, then becomes a constant value (within the limits of experimental error) for particles sputtered with energies of 30-100 eV. The energy distributions of Si⁻ ions, measured under argon and cesium ion sputtering, confirmed this radical difference between the yields from low and high-energy ions.To explain these results we have considered ionization mechanisms that are different for the low energy atoms (<10 eV) and for the atoms emitted with higher energy (>30 eV).     

用自洽的蒙特卡罗—流体结合模型模拟溅射过程

 采用自洽的蒙特卡罗－流体结合模型对溅射过程进行模拟,以了解等离子体粒子行为与溅射参数的关系。溅射过程包括气体放电和溅射原子传输。对于气体放电,蒙特卡罗部分模拟快电子和快气体原子,而流体部分则描述离子和慢电子。对于溅射原子传输,蒙特卡罗部分模拟溅射原子的碰撞过程,而流体部分则描述溅射原子的扩散和漂移。模拟的结果包括：等离子体粒子的密度和能量分布;不同电离机制对气体原子和溅射原子电离的贡献;不同等离子体粒子对阴极溅射碰撞的贡献;溅射原子的密度分布;溅射场和溅射粒子相对于入射离子能量和角度的分布;溅射原子经碰撞后在整个等离子体区的分布。     

Interaction of low-energy Cu2 dimers with copper clusters on the graphite surface

The sputtering of clusters consisting of 13, 27, and 75 copper atoms from the (0001) graphite surface under bombardment by Cu₂ dimers with energies of 100, 200, and 400 eV has been simulated using the molecular dynamics method. A comparative analysis of the distributions of backscattered particles and their energies over polar angles and the energy distributions of sputtered atoms has been performed. The factors responsible for the large sputtering yield from surface clusters under their bombardment with dimers as compared to copper and xenon monomers have been discussed. It has been demonstrated that, in the case of bombardment with dimers, the substantial role in the sputtering of surface clusters is played by the overlap of collision cascades initiated by each atom of the incident dimer. The differences in the sputtering under cluster and atom bombardments are especially pronounced in the case of large surface clusters.     

MONTE CARLO STUDIES OF RADIATION DAMAGE INDUCED BY FUSION DYNAMIC SIMULATION OF SPUTTERING

In this paper, the sputtering caused by fusion of ⁴He particles in the first wall materials is investigated by using the dynamic Monte Carlo simulation, which is based on the binary collision approximation. The dependences of sputtering yields on the incident energy and angle, as well as the comparisons of results calculated using the Monte Carlo methed with results from experiments, are discussed. Energy spectrum and angular distributions of sputtered species, the depth of origin of the sputtered particles as well as range distributions of incident ions are given. From a comparison between the related experimental data and the calculated results with static and dynamic simulation it has been found that a better agreement is obtained for dynamic simulation.     

Computer simulation of two-component target sputtering

The TRIM SP computer simulation program, which is based on the binary collision approximation, is applied to sputtering of two component targets. The topics discussed in this paper are: contribution of different processes leading to sputtering, total and partial sputtering yields, surface compositions at stationary conditions, sputtering of isotopic mixtures, angular and energy distributions and the escape depth of sputtered particles. Targets investigated are TaC, WC, TiC, TiD₂, and B (as an isotope mixture), bombarded by the noble gas ions and D (in the case of TiD₂). Comparison with experimental data and calculated results show good agreement demonstrating that collisional effects are sufficient to describe the experimental data in the examples investigated.     

Jetlike component in sputtering of LiF induced by swift heavy ions

Angular distributions of sputtered atoms from SiO2 and LiF single crystals were measured under the irradiation of 1 MeV/u swift heavy ions. In contrast to the almost isotropic distribution of SiO2, an additional jetlike component was observed for LiF. The total sputtering yield of SiO2 ( approximately 10(2) atoms/ion) can be reproduced by an extended inelastic thermal spike model, whereas the huge yield of LiF ( approximately 10(4) atoms/ion) needs a substantial decrease of the sublimation energy to be described by the model.     

Effects of Focusing for Atoms Sputtered from a Ni (001) Face with Angle and Energy Resolution

The focusing and overfocusing of atoms sputtered from Ni (001) face are studied with the use of molecular dynamics computer simulations. When a crystal transitions from the paramagnetic to the ferromagnetic state, there is a reduction in the number of focused and overfocused sputtered atoms. The evolution of distributions of sputtered atoms with the simultaneous energy and polar angle resolution due to changes in the azimuthal angle and binding energy of atoms at a surface is studied.     

多成分靶优先溅射的蒙特-卡罗计算

基于两体碰撞近似,本文用蒙特-卡罗方法研究离子轰击多成分靶引起的溅射。计算了1keV,10keV的氦离子和氖离子入射引起多成分、无定型靶表面总溅射产额和部分溅射产额;溅射粒子的能谱、角分布和深度来源分布。并计算了择优溅射引起材料表面组分相对浓度的变化。结果还表明,离子轰击多成分靶时,碰撞效应足以引起优先溅射,它是造成靶表面各种成分相对浓度变化的重要因素。 关键词：     

Sputtering of Cu atoms by Ar ions

Sputtering of Cu single-crystal, polycrystal and amorphous targets by 5 keV Ar ions has been studied by the binary collision lattice simulation code Cosipo. The sputtering yields, angular distributions, energy distributions and the space distributions of the original positions of the sputtered Cu atoms have been calculated. The results are discussed within the framework of cascade generations and surface structure.     

Interaction of MEV atomic ions with molecular solids: Ion track structure and sputtering phenomena

Recent results obtained in our research groups from studies of the interactions of swift, heavy atomic ions with molecular solids are concisely outlined. The focus is on material ejection (sputtering) and surface track formation. The experimental techniques employed include time-of-flight mass spectrometry, energy analysis, collection and analysis of sputtered material, and scanning force microscopy. Characteristics of the sputtering process probed include the sputtering yield, radial and axial velocity distributions, angular distributions, and surface track morphology. Besides reviewing and correlating experimental results, we also emphasize the common quasi-thermal origin of pressure-pulse/hydrodynamic and evaporative spike sputtering models.     

Systematic investigation of the reactive ion beam sputter deposition process of SiO<Subscript>2</Subscript>

Ion beam sputter deposition (IBSD) is an established physical vapour deposition technique that offers the opportunity to tailor the properties of film-forming particles and, consequently, film properties. This is because of two reasons: (i) ion generation and acceleration (ion source), sputtering (target) and film deposition (substrate) are locally separated. (ii) The angular and energy distribution of sputtered target atoms and scattered primary particles depend on ion incidence angle, ion energy, and ion species. Ion beam sputtering of a Si target in a reactive oxygen atmosphere was used to grow SiO₂ films on silicon substrates. The sputtering geometry, ion energy and ion species were varied systematically and their influence on film properties was investigated. The SiO₂ films are amorphous. The growth rate increases with increasing ion energy and ion incidence angle. Thickness, index of refraction, stoichiometry, mass density and surface roughness show a strong correlation with the sputtering geometry. A considerable amount of primary inert gas particles is found in the deposited films. The primary ion species also has an impact on the film properties, whereas the influence of the ion energy is rather small.     

Effect of temperature on the sputtering of surface metallic clusters

Sputtering of a cluster of 75 copper atoms from a copper-substrate surface by 200-eV argon ions is simulated using a molecular-dynamics method for target equilibrium temperatures of 0, 300, and 500 K. The sputtering coefficients of the substrate and the cluster and the angular and energy distributions of the sputtered atoms are studied. The mechanisms behind the influence of the thermal atomic vibrations on the sputtering yield of surface metallic clusters are discussed.     

Sputtering in the high-voltage electron microscope

The 1.0 MeV electron microscope has been used to observe and analyse transmission sputtering caused by the electrons in the incident beam. The method, reviewed here, is particularly suitable for investigating low energy collision events. Total sputtering yields and angular distributions of sputtered atoms have been measured for (111) gold films to within a few eV of the sputtering threshold energy. It is shown that the results can be explained by the sputtering of surface atoms either directly by electrons, or indirectly by collision sequences generated down 〈110〉 directions. The necessity of using a many-body collision model to interpret the results is stressed. High resolution electron microscopy has been used to study the surface structure of (111) gold films during sputtering on a near-atomic level. It is shown how the results confirm a model where surface roughness develops due to the migration and agglomeration of surface vacancies produced during sputtering. The future scope of the 1.0 MeV electron microscope as an analytical tool for sputtering is also discussed. It is suggested that the rôle of long range focussed collision sequences in sputtering may be determined for materials of medium atomic number. A need for further high resolution studies of sputtered surfaces is identified; such studies are seen as complementary to those by other surface analysis techniques.     

Mass dependence of nitride sputtering

A molecular dynamics simulation was performed to study the sputtering yield Y for BN, AlN and GaN polycrystals of wurtzite structure as a function of the masses m ₁ of bombarding ions with energies from 200 to 2000 eV. A nonmonotonic behavior of the Y(m ₁) curve was obtained for the irradiation by low-energy ions, the curve having a maximum with a position being dependent on m₂/m₁ (m₂ is the average mass of atoms in a compound). For AlN and GaN the maximum was observed at m₂/m₁ = 2, and for BN at m₂/m₁ = 1. The effect of the mass of bombarding ions on the mean energies and energy spectra of sputtered particles, the depth of sputtering origin, and the generation of emitted atoms for nitrides was also investigated and discussed.