Modeling of Atomic Displacements in the Bombardment of Copper by Ar and Xe Ions with Near-Sputtering-Threshold Energies

Using the molecular dynamics method, collision-induced cascades are modeled, which are generated in the normal bombardment of a copper crystal (100) by Ar and Xe ions with energies 25, 40, and 50 eV as well as by Xe ions at 15 eV and crystal temperature 300 K. Time dependences are derived for the formation of vacancies and interstitial atoms as a function of depth of the crystal and radiation-adsorption atoms (adatoms) on its surface during the cascade development. The adatoms are shown to contribute considerably to the change in r.m.s. atomic displacement in the thermal stage of the cascade. It is proved that Ar ions produce more adatoms on the surface vacancies while Xe ions do so in the bulk of the crystal below the first atomic layer and exhibit more effective mixing in the [100] direction.     

Surface defects created by low energy (20 < E < 240 eV) ion bombardment of Ge(001)

Surface defects created on Ge(001) exposed to low energy Xe ions are characterized by in situ scanning tunneling microscopy (STM). The temperature of the sample during ion bombardment is 165 C and ion energies range from 20 to 240 eV. The ion collisions create defects (vacancies and adatoms) which nucleate and form vacancy and adatom islands. For fixed total vacancy creation, the vacancy island number density increases with increasing ion energy: the vacancy island number density is 1.6 × 10⁻²⁰ cm⁻² for 40 eV ion bombardment and increases to 4.4 × 10⁻²⁰ cm⁻² for 240 eV ion bombardment. The increased nucleation rate for vacancies is attributed to clustering of defects. The sputtering yield of Ge(001) is also measured by STM. The sputtering yield for 20 eV ions is approximately 10⁻³ per ion but the net yield for surface defects (sum of adatoms and vacancies) is an order of magnitude higher, 10⁻², due to adatom-vacancy pair creation.     

Molecular dynamics simulation of defect formation in an aluminum crystal under low-energy ion bombardment

Atomic collision cascades initiated by Ar and Xe ions (with energies of 25, 40, and 50 eV) normally incident on the Al(100) crystal surface at a crystal temperature of 300 K have been simulated by the molecular dynamics technique. The formation of vacancies and radiation-adsorbed and interstitial atoms in a cascade is discussed. It is demonstrated that the numbers of surface and bulk vacancies formed in cascades under bombardment of the Al(100) surface by Xe ions reach two maxima within 0.2–0.3 and 0.7–1.0 ps after the cascade initiation, whereas the number of vacancies generated under bombardment by Ar ions reaches one maximum within 0.2–0.3 ps after the cascade initiation.     

Self-assembly of germanium islands under pulsed irradiation by a low-energy ion beam during heteroepitaxy of Ge/Si(100) structures

The effect of pulsed irradiation by a low-energy (50–250 eV) ion beam with a pulse duration of 0.5 s on the nucleation and growth of three-dimensional germanium islands during molecular-beam heteroepitaxy of Ge/Si(100) structures is investigated experimentally. It is revealed that, at specific values of the integrated ion flux (less than 10¹² cm^?2), pulsed ion irradiation leads to an increase in the density of islands and a decrease in their mean size and size dispersion as compared to those obtained in the case of heteroepitaxy without ion irradiation. The observed phenomena are explained in the framework of the proposed model based on the concept of a change in the diffusion mobility of adatoms due to the instantaneous generation of interstitial atoms and vacancies under pulsed ion irradiation. It is assumed that the vacancies and interstitial atoms give rise to an additional surface strain responsible for the change in the binding energy of the adatoms. Under certain conditions, these processes bring about the formation of centers of preferential nucleation of three-dimensional islands at the places where the ions impinge on the surface. The model accounts for the possibility of annihilating vacancies and interstitial atoms on the surface of the growing layer. It is demonstrated that the results obtained from the Monte Carlo calculations based on the proposed model are in good agreement with the experimental data.     

High sputtering yields of organic compounds by large gas cluster ions

We measured the sputtering yield, surface roughness and surface damage of thin leucine films bombarded with Ar cluster ions and examined the usefulness of large gas cluster ions for the depth profiling of organic compounds. Ar cluster ion beams with a mean size of 2000 atoms/cluster and energies from 5 to 30 keV were used. Sputtering yields increased linearly with incident ion energy and were extremely high compared to inorganic materials. Surface damage was investigated by measuring positive secondary ions emitted from the leucine film before and after cluster ion irradiation. After irradiation the leucine surface became smoother. The yield ratio of protonated leucine ions to other fragment ions kept constant before and after Ar cluster ion irradiation. These results indicate that large gas cluster ions are useful for depth profiling of organic compounds.     

Surface diffusion of tungsten adatoms induced by low-energy bombardment with He atoms

Using low-temperature field ion microscope techniques, we studied at the atomic level the elementary events of radiation-induced surface diffusion of tungsten adatoms on the ideally pristine surface. The experiments on surface-damage formation and adatom displacements have been performed in situ with a source of neutral helium atoms with an energy of 5?keV. It was demonstrated that the low-energy He atomic bombardment at grazing incidence was able to induce a substantial surface mobility of adatoms. Most of the radiation-induced adatom displacements were oriented along the direction of irradiation. The long impact-induced jumps of adatoms, spanning more than a nearest-neighbor distance, were revealed. Performed molecular dynamics simulations reproduce the general experimental trends and conclusions.     

Measurement of the sputter yield after mild ion erosion of a pristine Cu(001) surface

Using the STM technique we have determined the sputter yield on a pristine Cu(001) surface after mild (fluence less than 0.044 ions per surface atom) bombardment of the pristine surface with 800 eV Ar⁺ions at normal incidence. The experiments have been performed at substrate temperatures ranging from 200 to 350 K. Making use of the positional correlation of adatoms and surface vacancies, at 200 K and 325 K, we concluded that about 1/3 of the surface adatoms originate from interstitials arriving at the surface and they give a direct indication of the buried bulk vacancies. A careful analysis of the different areas for surface vacancies and adatom then allowed a quantitative evaluation of the sputter yield at 1.2 Cu atoms per 800 eV Ar⁺ ion.     

非晶合金的离子辐照效应

非晶合金作为一种快速凝固形成的新型合金材料,引起了材料研究者的极大兴趣.微观结构上长程无序、短程有序的特征使其具有独特的物理、化学和力学性能,在许多领域展现出良好的应用前景,尤其是有望成为核反应堆、航空航天等强辐照环境下的备选结构材料.本文深入探讨非晶合金的辐照效应,主要讨论离子辐照对非晶合金微观结构、宏观力学性能以及其他物理化学性能的影响,可为进一步理解非晶合金的微观结构和宏观力学性能之间的关系提供有效的实验和理论基础,也可为非晶合金在强辐照环境下的服役性能预测提供实验依据,对推进非晶合金这一先进材料的工程化应用具有重要的理论与实际意义.     

Model of β-CO on Mo(100): Dissociative adsorption

Secondary ion production during ion bombardment is analyzed experimentally. Secondary ions consist of bulk ions and surface ions. The former originates in the bulk material and the latter in the adsorbed layer. The most probable kinetic energy of bulk ions is higher by several tens of eV than that of surface ions, In order to perform quantitative bulk analysis the surface ions should be removed from the mass spectrum by making use of the difference between these kinetic energies. Secondary ion measurements indicate that the recoil implantation of an adsorbed element occurs to a significant extent under low ion current density bombardment.     

沉积粒子能量对薄膜早期生长过程的影响

利用Monte Carlo(MC)模型研究了能量粒子对薄膜生长的初始阶段岛膜的形貌和岛的尺寸的影响,沉积粒子的能量范围为:0—0.7eV.在模型中考虑了原子沉积、吸附原子扩散和蒸发等过程,并详细考虑了临近和次临近原子的影响.结果表明,在所采用的参量范围内不同的基底温度情况下,能量粒子的影响有很大的区别.低基底温度情况下,沉积粒子强烈地影响着薄膜的生长过程中,岛膜的形貌、数量和尺寸随能量粒子的能量增加而有很大的变化.分析表明,这些变化都是由于能量粒子的介入使得表面吸附粒子的扩散能力增强所致 关键词： 薄膜生长 Monte Carlo方法 扩散     

Effect of ion implantation on the refractive index of glass

Studies on the changes of the index of refraction in glass due to ion implantation provide an insight into the structure of amorphous substances, besides being important for the development of techniques for the production of optical integrated circuits. Using a heavy ion accelerator, optically flat samples of Pyrex and Corning borosilicate glass were implanted with ions of gallium and argon at various incident energies and doses. The refractive index was then measured and found to be between 1.5 and 1.8 at a wavelength of 5893 A.U. The change in the refractive index was found to vary linearly with the incident dose irrespective of the ion species. This suggests that bombardment damage is mainly responsible for the effect. The dependence of the refractive index change on the incident dose however depends strongly on the chemical composition of the substrate glass.     

Desorption of chemisorbed Carbon on Mo(1 0 0) by noble gas ion sputtering: Validation of ground test measurements of ion engine lifetimes

We report desorption cross section measurements for one monolayer of chemisorbed carbon on a Mo(1 0 0) surface induced by sputtering with noble gas ions (Ne⁺, Ar⁺, Xe⁺) at different incident angles, ion energies, and substrate temperatures. Desorption cross sections were determined by using low-energy ion scattering (LEIS) to monitor the increase of the signal from the Mo substrate. A monolayer of p(1 × 1) carbon adatoms on the Mo(1 0 0) surface was created by dosing ethylene (C₂H₄) to the substrate at 800 K, and characterized by Auger electron spectroscopy (AES) and low energy electron diffraction (LEED). We find that the carbon desorption cross section increases with increasing mass and energy of the impinging ions, and there is a maximum value for the desorption cross section at an incident angle for the ions of 30° from the surface plane. The desorption cross section also increases up to a substrate temperature of 300 °C. Values for the carbon desorption cross section for carbon adatoms on Mo(1 0 0) by 400-eV Xe⁺ ion sputtering are about 2 × 10⁻¹⁵ cm², which is one order of magnitude higher than those for bulk carbon samples. This information is particularly important for evaluation of ion-engine lifetimes from ground-test measurements in which contaminant carbon is deposited on Mo accelerator grids, potentially altering the sputtering rate of the Mo. Our measurements show that monolayer amounts of carbon on Mo have desorption cross sections that are two orders of magnitude higher than estimates of what would be required to reduce the Mo erosion rate, and thus ground-test measurements can be used with confidence to predict ion-engine wear in space, from this perspective.     

Incident-energy dependence of crystalline structures of ion beam deposited Au thin films

The energy dependence of crystalline structures in Au thin-film deposition processes was investigated with the use of a low-energy mass-selected ion beam system. Au films deposited on Si(100) untreated wafer surfaces by the beam system at different ion energies in the range of 20–200?eV were analyzed by atomic force microscopy (AFM), X-ray diffraction (XRD) and in-situ reflection high-energy electron diffraction (RHEED). The XRD results show that the kinetic energy provided by ion bombardment can facilitate crystal growth with specific orientations such as (100) or (110), the surfaces of which have relatively high surface energies. Our observations also suggest that each crystalline orientation appears only in a specific energy range of ion bombardment. These results indicate that Au crystalline orientations may be controlled by the ion irradiation energy during deposition processes.     

Sputtering of tungsten, tungsten oxide, and tungsten-carbon mixed layers by deuterium ions in the threshold energy region

An original experimental method is developed for determining the sputtering coefficients of electrically conducting materials during bombardment by light gas ions at threshold energies. This information is very valuable in both purely scientific and practical terms. The basis of the method is a special field-ion-microscopic analysis regime. The procedure for measuring the sputtering coefficients includes cleaning the surface by field desorption and evaporation, with the subsequent work on an atomically clean and atomically smooth surface. The method permits identification of single vacancies on the irradiated surface, i.e., it is possible to count individual sputtered atoms. The method is tested on commercially pure tungsten, tungsten oxide, and a W-C mixed layer on tungsten under deuterium ion bombardment. The energy dependences of the sputtering coefficients of these materials for sputtering by deuterium ions at energies of 10–500 eV are obtained and analyzed. An important relationship between the energy threshold for sputtering and the conditions for oxidation of tungsten is found. The energy threshold for sputtering of an oxidized tungsten surface is 65 eV. The energy threshold for sputtering of the W-C mixed layer is almost equal to the corresponding value for pure tungsten. Zh. Tekh. Fiz. 69, 137–142 (September 1999)     

Ferromagnetism in defective yttria-stabilized zirconia

Significant research attention has been devoted to identifying and synthesizing new magnetic materials via doping of non-magnetic materials. The material defects offer an approach to stabilize ferromagnetism in non-magnetic materials such as oxygen-deficient HfO₂ and oxygen-deficient ZrO₂. In this study, we demonstrated room-temperature ferromagnetism via nitrogen ion implantation on yttria-stabilized zirconia (YSZ) single crystals. The results of structural and chemical analyses indicate the formation of a distinct surface layer through the implantation of nitrogen ions and potential oxygen vacancies. The lattice constant in this surface layer increased by 0.6% compared to the bulk value. Nitrogen ions were observed in this region, and their concentration was estimated to be 2.32 atoms per unit cell. In contrast to the lack of magnetic hysteresis in a YSZ single crystal, ferromagnetic hysteresis was observed in the ion-implanted YSZ crystals, owing to defects—nitrogen ions and oxygen vacancies in the surface layer.     

Structural and electrical analysis of S ion bombarded p-InP(1 0 0)

The chemical state of sulfur and surface structure on low-energy S⁺ ion-treated p-InP(1 0 0) surface have been investigated by high-resolution X-ray photoelectron spectroscopy (XPS) and low-energy electron diffraction (LEED). S⁺ ion energy over the range of 10-100 eV was used to study the effect of ion energy on surface damage and the process of sulfur passivation on p-InP(1 0 0) by S⁺ ion beam bombardment. It was found that sulfur species formed on the S⁺ ion-treated surface. The S⁺ ions with energy above 50 eV were more effective in formation of In-S species, which assisted the InP surface in reconstruction into an ordered (1 × 1) structure upon annealing. After taking into account physical damage due to the process of ion bombardment, we found that 50 eV was the optimal ion energy to form In-S species in the sulfur passivation of p-InP(1 0 0). The subsequent annealing process removed donor states that were introduced during the ion bombardment of p-InP(1 0 0). Results of theoretical simulations by Transport of Ions in Materials (TRIM) are in accordance with those of experiments.     

Mass-transport driven by surface instabilities in metals under reactive plasma/ion beam treatment at moderate temperature

This paper presents a generalized approach to the mechanisms of oxidation, hydrogenation and nitriding of metals under ion irradiation with reactive particles at elevated temperatures. Experimental results on the plasma oxidation of bilayered Y/Zr films, the plasma hydrogenation of Mg films and the ion beam (1.2 keV N ₂ ⁺ ) nitriding of stainless steel are presented and discussed. We make special emphasis on the analysis of surface effects and their role in the initiation of mixing of bilayered films, the ingress of reactive species in the bulk and the restructuring of the surface layers. It is suggested that primary processes driving reactive atoms from the surface into the bulk are surface instabilities induced by thermal and ballistic surface atom relocations under reactive adsorption and ion irradiation, respectively. The diffusion of adatoms and vacancies, at temperature when they become mobile, provide the means to relax the surface energy. It is recognized that the stabilizing effect of surface adatom diffusion is significant at temperatures below 300–350°C. As the temperature increases, the role of surface adatom diffusion decreases and processes in the bulk become dominant. The atoms of subsurface monolayers occupy energetically favorable sites on the surface, and result in reduced surface energy.     

Sputtering of metals at ion-electron irradiation

It has been found that, in contrast to the commonly accepted opinion, simultaneous irradiation by 15-keV Ar⁺ ions and 2.5-keV electrons at temperatures above 0.5T _m (T _m is the melting temperature) induces much larger sputtering of metallic copper, nickel, and steel than irradiation only by Ar⁺ ions. The effect increases with the temperature. At T = 0.7T _m, the sputtering coefficients in the case of ion-electron irradiation are more than twice as large as the sputtering coefficients in the case of irradiation by Ar⁺ ions. The experiments on the sublimation of copper show that the sublimation rate in the case of the heating of a sample by an electron beam is higher than that in the case of heating in an electric vacuum oven. The revealed effects are explained by the electron-induced excitation of adatoms (atoms stuck over the surface, which appear owing to ion bombardment). Excited adatoms have a smaller binding energy with the surface and are sputtered more easily.     

离子辐照对磷烯热导率的影响及其机制分析

通过离子辐照产生缺陷,可以非常有效地调控磷烯诸多物理性质.本文应用分子动力学方法模拟离子辐照磷烯的过程,给出了缺陷的形成概率与入射离子能量、离子种类以及离子入射角度之间的关系,并且应用非平衡态分子动力学计算辐照后磷烯热导率的变化.以缺陷形成概率为切入点,系统地研究了辐照离子的能量、辐照剂量、离子的种类以及离子的入射角度对磷烯热导率的影响.应用晶格动力学方法研究了空位缺陷对磷烯声子参与率的影响,并计算了声子局域模式的空间分布.基于量子微扰和键弛豫理论,指出空位缺陷明显降低磷烯热导率的最重要物理机制是空位缺陷附近的低配位原子对声子强烈散射.本文研究可为缺陷工程调控磷烯的热输运性质提供理论参考.     

高能重离子辐照的低活化钢硬化效应

为了探讨聚变堆候选低活化钢的抗辐照性能,在兰州重离子加速器国家实验室HIRFL的材料辐照终端,利用63 MeV的~(14)N离子和336 MeV的~(56)Fe离子在-50?C下对一种国产低活化钢进行辐照实验.借助离子梯度减能装置,使入射离子能量在0.22—6.17 MeV/u之间变化,从而在样品表面至24μm深度范围内产生0.05—0.20 dpa的原子离位损伤坪区.利用纳米压痕仪测试样品辐照前后的显微硬度,通过连续刚度测量(constant stiffness measurement)得到低活化钢硬度的深度剖面信息.使用Nix-Gao模型很好地描述了纳米压痕硬度随深度递减的现象(压痕尺寸效应,indentation size effect),从而有效避免了低能离子辐照的软基体效应(softer substrate effect).正电子湮灭寿命谱显示低活化钢在辐照之后长寿命成分增加,说明样品中产生了大量缺陷形成空位团,从而导致了材料力学性能的变化,在离子辐照剂量增加至0.2 dpa时,平均寿命τ_m增加量逐渐变慢,材料中辐照产生的缺陷趋于饱和.