Three-dimensional spatiokinetic distributions of sputtered andscattered products of Ar+ and Cu+ impacts onto theCu surface: molecular dynamics simulations

Energy and angular distributions of reflections and sputtered atoms are essential inputs for feature profile evolution simulations. Molecular dynamics simulations are used to compute the three-dimensional energy and angular distributions for reflected and sputtered products when both Ar⁺ and Cu⁺ ions bombard a copper surface. We term these “spatiokinetic” distribution functions (SKDF's). We show by example that SKDF's for reflected Ar⁺ ions focus as the incident angle &thetas;_i (normal=0°) is increased from 60-75° and broaden as the incident energy E_i is increased from 55-175 eV. We show that the SKDF's for glancing-angle reflected Cu⁺ ions focus when E_i is increased from 55-175 eV. We show that the SKDF's for copper atoms sputtered by 175 eV Ar⁺ are insensitive to &thetas;_i;. We report total sputter yields for Ar⁺ and Cu⁺ ions at 55 and 175 eV for incident angles between 0° and 85°, and sticking probabilities for Cu⁺ ions for these energies and angles. Comparison to representative experimental results (Doughty et al., 1997) is given     

IR spectroscopy of adsorbed dinitrogen: a sensitive probe of defect sites on Pt(111)

Fourier transform infrared reflection absorption spectroscopy (FT-IRAS) has been used to probe the non-dissociative adsorption of N₂ on an atomically clean Pt(111) single crystal. In contradiction to a previous IRAS study of nitrogen adsorption on a Pt(111) foil at 120 K, no nitrogen infrared (IR) band was observed on a fully annealed Pt(111) surface at 90 K. Following Ar⁺ ion bombardment, adsorption of nitrogen at 90 K produces an intense IR band at 2222 cm⁻¹ attributed to the N---N stretching mode of molecular nitrogen adsorbed on defect sites produced by ion bombardment. Annealing the Ar⁺ ion sputtered surface to a temperature above 750 K completely suppresses the adsorption of nitrogen at 90 K. Based on these and other results, we postulate that nitrogen adsorbs at 90 K mainly on monovacancies on platinum. We suggest that this specific adsorption occurs by sigma donation from nitrogen to the base of monovacancy sites which possess a low d-electron density compared to surface Pt atoms.     

Low sputter damage of metal single crystalline surfaces investigated with medium energy ion scattering spectroscopy

It was observed clearly that the sputter damage due to Ar⁺ ion bombardment on metal single crystalline surfaces is extremely low and the local surface atomic structure is preserved, which is totally different from semiconductor single crystalline surfaces. Medium energy ion scattering spectroscopy (MEIS) shows that there is little irradiation damage on the metal single crystalline surfaces such as Pt(111), Pt(100), and Cu(111), in contrast to the semiconductor Si(100) surfaces, for the ion energy of 3–7 keV even above 10¹⁶–10¹⁷ ions/cm² ion doses at room temperature. However, low energy electron diffraction (LEED) spots became blurred after bombardment. Transmission Electron Microscopy (TEM) studies of a Pt polycrystalline thin film showed formation of dislocations after sputtering. Complementary MEIS, LEED and TEM data show that on sputtered single-crystal metal surfaces, metal atoms recrystallize at room temperature after each ion impact. After repeated ion impacts, local defects accumulate to degrade long range orders.     

Electrical characterization of argon-ion sputtered n-GaAs

Epitaxially grown n-type GaAs was sputtered with 0.5 keV Ar ions at doses of 10¹² and 10¹⁵ ions/cm². The sputter-induced defects in the GaAs were characterized using deep-level transient spectroscopy (DLTS) and the effect of these defects on the characteristics of Au Schottky barrier diodes (SBD's) fabricated on the sputtered GaAs was evaluated by current-voltage measurements. It was found that the barrier height of the SBD's decreased with ion dose from 0.97 eV for unsputtered diodes to 0.48 eV after sputtering at a dose of 10¹⁵/cm². DLTS showed the presence of a multitude of sputter-induced defects at and near the GaAs surface. The defects formed during the initial stages of sputtering had the same properties as some of the primary defects introduced during electron and proton irradiation of GaAs. Isochronal annealing at temperatures of up to 350°C showed that although some defects were removed by annealing, others appeared.     

Dependence of Auger depth resolution and surface texturing on primary ion species

The dependence of Auger depth resolution and surface texturing on primary ion species was systematically investigated for polycrystalline Al, Mo, Ag and Ta films deposited on Si wafers, using 3 keV Ne⁺, Ar⁺ and Xe⁺ ions as projectiles. The resolution was found to depend strongly on ion species; the higher the ion mass, the better the resolution. The resolution improvement attained with Xe⁺ ions was dramatic for Al, becoming less pronounced for higher mass targets. As revealed by high-resolution scanning electron microscopy, Xe⁺ sputtering led to less-developed topographical structures of sputtered areas, which allowed us to conclude that ion sputtering with heavier ions roughens the surface less, resulting in a marked improvement in resolution.     

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     

A molecular dynamics simulation of ultrathin oxide films onsilicon: Growth by thermal O atoms and sputtering by 100 eV Ar+ ions

Molecular dynamics was applied to study the growth and sputtering of ultrathin oxide films on (100) Si surfaces. A multibody potential which stabilized the Si/SiO₂ interface was used for this purpose. Oxide growth by exposure to O atoms was found to follow Langmuir-type kinetics with unity initial sticking coefficient of O and saturation coverage of around four monolayers, in agreement with experimental data. Sputtering of an ultrathin oxide film on silicon by 100 eV Ar⁺ ions was simulated to study ion-assisted surface cleaning. Ion irradiation was found to promote restructuring of the surface into oxide islands, as observed experimentally. Island formation was accompanied with an increase in surface roughness. The evolution of the surface state with ion dose was predicted quantitatively     

Secondary ion emission from clean and K-covered Ni surfaces near threshold impact energies

Clean and K-covered Ni surfaces are bombarded with low energy (10–500 eV) beams of He⁺, Ne⁺, Ar²⁺, and Kr⁺ ions, and the emitted ion yield is measured as a function of beam energy. The apparent threshold energies for K⁺ and Ni⁺ emission are proportional to the ionic binding energies of K⁺ and Ni⁺ to the Ni surface. From comparison of the ion and neutral yield curves, it is suggested that these ions are emitted via momentum transfer collisions similar to neutral sputtering.     

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The molecular dynamics simulation of interaction between CH⁺ with various energy and fusion material tungsten is conducted. The simulated results show that in the incident process, the sputtering rates of C and H atoms change suddenly at the different exposure doses when the incident energy is 50, 100 and 150eV respectively, a few of W atoms are sputtered in the interaction process, but the sputtering rate is less than 0.24%. When the exposure dose is about 3.92×10¹⁶cm⁻², the incident energy is 50eV, a hydrocarbon firm without W atom is formed on the sample surface bombarded by the ions. A mixed film of W, C and H is formed at the other energy. The deposited rates of C and H atom first decrease then increase with the incident energy increament, the minimum deposited rats appear at 250 and 200eV respectively. The density profiles of C, H atoms, C−H, C−C, W−C bonds in the sample after bombardment move towards the inside of sample, and the C sp³ dominated the sample.     

Time evolution of adatom and vacancy clusters on Ag(110)

The time evolution of adatom and vacancy islands on an Ag(110) surface is studied by using a variable-temperature ultrahigh vacuum scanning tunneling microscope. The islands are created by Ar⁺ ion sputtering at low temperatures and at very low fluxes (0.004 ML s⁻¹). The area of both kinds of island decreases linearly as a function of time, at least for small islands. The experimental results are compared with kinetic Monte Carlo simulations.     

Single crystal RuO2/Ti and RuO2/TiO2 interface: LEED, Auger and XPS study

The interactions at the evolving RuO₂/titanium interface have been studied by LEED, AES and XPS. Titanium films of up to 5 monolayers were evaporated onto well ordered and ion sputtered ruthenium dioxide crystal surfaces of (110) and (100) orientation. Stabilization of the surface oxygen content under thermal treatment in UHV (up to 600°C) with increasing titanium coverage was established. After extended (up to 4 h) annealing in O₂ at 600°C an epitaxial ordering of TiO₂ on RuO₂(110) was observed. The (1 × 1) LEED patterns from the epitaxial layer exhibit a reduced background level when compared to the RuO₂ substrate itself. These findings are correlated with the XPS data and are interpreted in connection with the disappearance of the defect RuO₂ phase in the surface layer of the RuO₂. The appearance of the (1 × 2) surface reconstruction at the RuO₂(100)/Ti interface is discussed in the context of maximum cation coordination by oxygen atoms.     

金红石TiO_2中本征缺陷扩散性质的第一性原理计算

基于密度泛函理论的爬坡弹性带方法,对金红石相二氧化钛晶体中钛间隙、钛空位、氧间隙、氧空位4种本征缺陷的扩散特征进行了研究.对比4种本征缺陷在晶格内部沿不同扩散路径的过渡态势垒后发现,缺陷扩散过程呈现出明显的各向异性.其中,钛间隙和氧间隙沿[001]方向具有最小的扩散势垒路径,激活能分别为0.505 eV和0.859 eV;氧空位和钛空位的势垒最小的扩散路径分别沿[110]方向和[111]方向,激活能分别为0.735 eV和2.375 eV.     

Study of strong interaction between Pt and TiO2 under oxidizing atmosphere

The strong interaction between Pt and TiO₂ under oxidizing atmosphere was studied by means of X-ray photoelectron spectroscopy (XPS) and Ar⁺ sputtering test. The results obtained show that under oxidizing atmosphere Pt⁰ atoms can thermally diffuse into TiO₂ lattice and be oxidized to Pt²⁺ to substitute for Ti⁴⁺ or form the interstitial ions at 673 K.     

H+和Ar11+激发Si的K壳层X射线发射研究

测量了50–250 keV H⁺和1.0–3.0 MeV Ar¹¹⁺ 轰击Si表面过程中辐射的X射线. 结果表明, 在Ar¹¹⁺入射的情况下, 引起了Si的L壳层上3, 4个电子的多电离.计算了Si的K壳层X射线产生截面, 并将两体碰撞近似(BEA), 平面波恩近似, ECPSSR理论计算与实验值进行了对比. ECPSSR理论与质子产生的截面数据能够很好地符合; 而考虑多电离后, BEA理论与Ar¹¹⁺的实验结果符合较好. 关键词： X射线 高电荷态重离子 多电离     

XPS investigation of preferential sputtering of S from MoS2 and determination of MoSx stoichiometry from Mo and S peak positions

The preferential sputtering of S from bulk MoS₂ standard samples exposed to 3 keV Ar⁺ ion bombardment has been studied by XPS. The MoS_x stoichiometry decreases from MoS₂ to MoS_1.12 with a concomitant reduction in the Mo 3d_5/2 binding energy from 229.25 to 228.35 eV. The altered layer extends to a depth of 3.8 nm and is proposed to consist of a single amorphous MoS_x phase in which Mo has a varying number of nearest neighbour S atoms. Using peak positions alone it is possible to determine the MoS_x stoichiometry to an accuracy of x±0.1 from a plot of MoS_x stoichiometry against (Mo 3d_5/2–S 2p_3/2) binding energy. The results are of strong current interest for coating analysis applications as MoS₂ is a compound capable of providing low friction properties when incorporated into hard coatings.     

TOF-ESDIAD measurements of a coadsorbate system: CO on an oxidized Cu(110) surface

A novel time-of-flight-electron-stimulated desorption ion angular distribution (ESDIAD) instrument has been used to investigate the striped structure of the oxidized Cu(110) surface and its interaction with coadsorbed CO. Two different oxygen sites were detected, leading to a two-fold symmetrical four-beam O⁺ ESDIAD pattern with tilting of the beams of 22° in the 1 0- and 8° in the 001-azimuth directions. By time-of-flight separation of ions and excited neutrals with different masses, permitting the simultaneous detection of the momentum resolved ESDIAD pattern of O⁺ and CO*, a strong interaction of the CO with oxygen atoms chemisorbed on the stripe edges was observed as seen by the behavior of O⁺ beams originating from these edge sites.     

Sputtering yield of chromium by argon and xenon ions with energies from 50 to 500 eV

A radioactive tracer technique is described for the quantitative measurement of the sputtering yield of a target material electroplated on a copper substrate. Sputtering yields of chromium by argon and xenon ions with energies from 50 to 500 eV are reported. The ion beams, having a current density ranging from 0.01 to 0.1 mA/cm² at an operating pressure of 2×10^–5 Torr, were produced by a low-energy ion gun. The sputtered atoms were collected on an aluminum foil surrounding the target. ⁵¹Cr was used as the tracer isotope. The results indicate that the radioactive tracer technique is sensitive enough in measuring the extremely small amount of sputtered material at low ion currents and low ion energies.     

Investigation of relative sputtering yields during ionoluminescence of Si

Atomic line emissions resulting from sputtered atoms and ions are investigated on Si(100) bombarded by 60 keV Ne⁺, 300 keV Xe⁺ and 300 keV SF₅⁺ ions. It has been observed that the presence of oxygen enhances light emission due to radiative de-excitation. Relative sputtering yields of Si for 60 keV Ne⁺, 300 keV Xe⁺ and 300 keV SF₅⁺ are estimated from the photon yields. The estimates of sputtering yields of adsorbed oxygen on Si for the above projectiles are also made from the transients of Si I 251.6 nm line. A non-linearity in the sputtering yield for SF₅⁺ ions was observed in comparison with the yields for Ne⁺ and Xe⁺ ions. The results are discussed with the model of overlapping of individual collision cascades.     

面心立方单晶镍纳米线稳定性及磁性的第一性原理计算

本文采用第一性原理方法,研究了轴向为低指数晶向的面心立方(fcc)单晶镍纳米线的稳定性和磁性.计算表明,[110] 是fcc镍纳米线最容易出现的取向,[111] 取向次之,而 [001] 取向则很难出现,这一结果与实验事实符合.镍纳米线按照原子位置和磁性强弱的不同,可以分成简单的芯-壳结构,在纳米线芯部,原子的磁矩大小与块体基本一致.在纳米线表面,镍原子的磁矩比芯部原子有所增加.表面原子磁矩与轴向的取向相关,[110] 为轴向的纳米线表面原子磁矩最低,而[001] 为轴向的纳米线表面原子磁矩最高. 关键词： 镍 纳米线 第一性原理 原子磁矩     

Preferential sputtering and radiation enhanced segregation in palladium-platinum alloys

Five palladium-platinum alloys of different compositions ranging from 10 to 90 at% Pd were sputtered with 1 keV Ar⁺ ions. The surface concentrations were then determined with Auger electron spectroscopy (AES) and low energy ion scattering spectroscopy (ISS). The observed concentrations differed largely from bulk values. This difference is explained in terms of the difference in sputtering yields for platinum and palladium and the radiation enhanced segregation of palladium. The surface was then mechanically cleaned in situ. The surface concentrations measured subsequently corresponded excellently with the bulk values confirming the calibration procedure for the calculation of the surface concentrations. A recently developed model for surface segregation was used to fit the experimental data. Values for the surface segregation energy ΔG and the radiation enhanced diffusion coefficient D were obtained in the range 2000–8000 J/mol and (1.2–8.0)×10⁻²⁰ m²/s, respectively.