钙原子4p_(1/2,3/2)ng(J=3)自电离Rydberg光谱的研究

利用Monte Carlo(MC)方法模拟研究了薄膜生长的初始阶段岛的形貌和岛的尺寸与基底温度和入射粒子剩余能量之间的关系.模型中考虑了粒子的沉积、吸附粒子的扩散和蒸发等过程.结果表明当基底温度从200K变化到260K时,岛的形貌经历了一个从分散生长逐渐过渡到分形生长的过程,并且在较低温度(200K)下,随入射粒子剩余能量的增加,岛的形貌也经历了同样的变化过程.进一步研究证明,随着基底温度的升高或入射粒子剩余能量的增加,沉积粒子的扩散能力显著增强,从而使岛的形貌发生了改变.     

超薄膜生长的Monte Carlo模拟研究

利用Monte Carlo(MC)方法模拟研究了薄膜生长的初始阶段岛的形貌和岛的尺寸与基底温度和入射粒子剩余能量之间的关系.模型中考虑了粒子的沉积、吸附粒子的扩散和蒸发等过程.结果表明当基底温度从200K变化到260K时,岛的形貌经历了一个从分散生长逐渐过渡到分形生长的过程,并且在较低温度(200K)下,随入射粒子剩余能量的增加,岛的形貌也经历了同样的变化过程.进一步研究证明,随着基底温度的升高或入射粒子剩余能量的增加,沉积粒子的扩散能力显著增强,从而使岛的形貌发生了改变.     

不同晶格基底上薄膜生长的Monte Carlo模拟研究

利用Monte Carlo(MC)方法模拟研究了四方和六方晶格基底上薄膜生长的初始阶段岛的形貌和岛的尺寸与基底温度和入射粒子剩余能量之间的关系.模型中考虑了粒子的沉积、吸附粒子的扩散和蒸发等过程.结果表明,基底晶格结构对薄膜生长具有明显影响.当基底温度为300K、入射粒子剩余能量为0时,四方晶格基底上薄膜的生长已经呈现明显的凝聚生长,随着基底温度或入射粒子剩余能量的增加,岛的数目变少、岛的平均尺寸变大.对于六方晶格基底,当入射粒子剩余能量为0、温度从300 K升高到350 K时,岛的形貌从分散生长向分形生长转变;当基底温度为300 K、入射粒子剩余射能量从0上升到0.05 eV时,岛由分散生长向分形生长转变.     

不同晶格基底上薄膜生长的Monte Carlo模拟研究

利用Monte Carlo（MC）方法模拟研究了四方和六方晶格基底上薄膜生长的初始阶段岛的形貌和岛的尺寸与基底温度和入射粒子剩余能量之间的关系. 模型中考虑了粒子的沉积、吸附粒子的扩散和蒸发等过程. 结果表明，基底晶格结构对薄膜生长具有明显影响. 当基底温度为300K、入射粒子剩余能量为0时，四方晶格基底上薄膜的生长已经呈现明显的凝聚生长，随着基底温度或入射粒子剩余能量的增加，岛的数目变少、岛的平均尺寸变大. 对于六方晶格基底，当入射粒子剩余能量为0、温度从300K升高到350K时，岛的形貌从分散生长向分形生长转变；当基底温度为300K、入射粒子剩余射能量从0上升到0.05eV时，岛由分散生长向分形生长转变.     

超薄膜生长的Monte-Carlo研究

利用MonteCarlo(MC)模型研究了薄膜生长的初始阶段岛的形貌和岛的尺寸与基底温度之间的关系.模型中考虑了原子沉积、吸附原子扩散和蒸发等过程,与以前模型不同的是我们用Morse势计算粒子之间的相互作用,并详细考虑了临近和次临近原子的影响.结果表明,随基底温度的升高,岛的形貌经历了一个从分形生长到凝聚生长的变化过程.进一步研究表明,岛的形貌与基底的形貌之间的关系随着基底温度的升高有很大的变化,基底温度低时,岛的形状与基底形貌无关,高温时岛具有与基底形貌相似的结构.这些结果与实验结果一致.为了进一步说明 关键词：     

基底显微结构对薄膜生长影响的Monte Carlo模拟研究

利用Monte Carlo方法研究了基底显微结构对薄膜生长的影响. 对不同显微结构基底上薄膜生长的初始阶段岛的形貌和尺寸与薄膜覆盖度和入射粒子沉积速率之间的关系进行了模拟和分析. 模型中考虑了粒子沉积、吸附粒子扩散和蒸发等过程. 结果表明，基底显微结构对薄膜生长具有明显影响. 当沉积温度为300K、沉积速率为0.005ML/s（Monolayer/second，简称ML/s）、覆盖度为0.05ML时，四方基底上薄膜生长呈现凝聚生长. 随着覆盖度增加，岛的尺寸变大，岛的数目减少. 而对于六方基底，当覆盖度从0.05ML变化到0.25ML时，薄膜生长经历了一个从分散生长过渡到分形生长的过程. 无论是四方还是六方基底，随着沉积速率的增加，岛的形貌由少数聚集型岛核分布状态向众多各自独立的离散型岛核分布状态过渡.     

薄膜生长的随机模型

利用Monte Carlo模型研究了薄膜生长初始阶段岛的形貌与基底温度之间的关系,同时还研究了它们与汽相粒子入射剩余能量之间的关系．模型中考虑了三种动力学过程：粒子入射、吸附粒子扩散和粒子脱附,与以前薄膜生长模型的不同之一在于把入射过程看作独立于其他过程,而扩散和脱附过程是相互关联的．结果表明随基底温度的升高,岛的形貌经历了一个从分散生长、分形生长到凝聚生长的变化过程．低温下随汽相粒子入射和剩余能量增加,岛的形貌也经历了同样的变化过程. 关键词：     

六方晶格基底上薄膜生长的Monte Carlo模拟研究

利用Monte Carlo（MC）方法，模拟研究了六方晶格基底上薄膜生长的初始阶段岛的形貌和岛的尺寸与薄膜覆盖度以及入射粒子沉积速率之间的关系. 结果表明在基底温度为300K时，岛的形貌主要表现为分形生长，随着薄膜覆盖度的增加，岛的分形枝簇变大，岛的数目不断减少. 在同样的温度下，随着入射粒子沉积速率的增大，薄膜表面的形貌逐步由少数聚集型岛核分布状态向众多各自独立的离散型岛核分布状态过渡. 进一步研究得出，薄膜覆盖度和入射粒子沉积速率对粒子扩散能力的影响最终导致岛的形貌发生了改变.     

高温下金属薄膜生长初期的模拟研究

采用实际的生长模型和物理参量,用Monte Carlo方法对高温下金属薄膜的生长过程进行了模拟研究.综合考虑了原子沉积、扩散、成核、生长和扩散原子的再蒸发、原子沿岛周界扩散和岛的合并等众多过程后,模拟得到与实验结果相当一致的薄膜生长形貌及其相应的定量结果.通过动态统计薄膜生长过程中的岛数目及薄膜生长率,得到实验中不易直接获得的高温下薄膜生长的许多细节,如岛数目和薄膜生长率随表面温度、覆盖度变化的详细情况等 关键词： 薄膜 Monte Carlo模拟 成核 岛密度 薄膜生长率     

载能原子沉积Au/Au(100)外延薄膜生长的计算机模拟

在分子动力学研究的基础上建立了载能原子的沉积动力学物理模型,并根据在局域环境下的表面原子扩散模型,通过运动学Monte Carlo方法研究了载能粒子沉积Au/Au(100)薄膜的初期生长过程,探讨了载能粒子沉积对薄膜生长的影响及其随基体温度的变化.通过计算机模拟发现：载能粒子沉积的Au/Au(100)薄膜生长仍然呈现层状生长-三维岛状生长-准二维层状.在薄膜生长初期,载能粒子的作用是促进表面原子的成核,增加基体表面的缺陷;在薄膜的生长阶段,载能粒子通过抑制三维岛的生长速率起着平滑薄膜表面形貌的作用.载能粒 关键词：     

Simulation of island aggregation influenced by substrate temperature, incidence kinetic energy and intensity in pulsed laser deposition

Using kinetic Monte Carlo method, we have simulated a pulsed energetic growth process in pulsed laser deposition. During the growth of film, substrate temperature mainly influences upon film morphology by directly enhancing the adatom mobility through the temperature-dependent thermal vibration. By contrast, the effect of incidence kinetic energy on film growth is complex resulting from the collisions between the incident particles and the adatoms. The results show that improving incident kinetic energy cannot significantly accelerate the migration rate of adatom but change surface microstructure and promote single adatom formation resulting in more island aggregation density. Moreover, since pulse-influx characterizes pulsed laser deposition, the intensity per pulse contributes to the evolvement of nucleation density and the results illustrate that a general scaling law different from ordinary power law still exists in energetic growth of pulsed laser deposition.     

Multilayer growth of BaTiO3 thin films via pulsed laser deposition: An energy-dependent kinetic Monte Carlo simulation

An energy-dependent kinetic Monte Carlo approach was proposed to simulate the multilayer growth of BaTiO₃ thin films via pulsed laser deposition, in which the four steps, such as the deposition of atoms, the diffusion of adatoms, the bonding of adatoms, and the surface migration of adatoms, were considered. Distinguishing with the traditional solid-on-solid (SOS) model, the adatom bonding and the overhanging of atoms, according to the perovskite structure, were specially adopted to describe the ferroelectric thin film growth. The activation energy was considered from the interactions between the ions, which were calculated by Born-Mayer-Huggins (BMH) potential. From the simulation the relative curves of the each layer coverage and roughness vs total coverage were obtained by varying the parameter values of the incident kinetic energy, laser repetition rate and mean deposition rate. The relationship between growth modes and the different parameters was also acquired.     

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.     

Damage of low-energy ion irradiation on copper nanowire: molecular dynamics simulation

Physical and chemical phenomena of low-energy ion irradiation on solid surfaces have been studied systematically for many years,due to the wide applications in surface modification,ion implantation and thin-film growth.Recently the bombardment of nano-scale materials with low-energy ions gained much attention.Comared to bulk materials,nano-scale materials show different physical and chemical properties.In this article,we employed molecular dynamics simulations to study the damage caused by low-energy ion irradiation on copper nanowires.By simulating the ion bombardment of 5 different incident energies,namely,1 keV,2 keV,3 keV,4 keV and 5 keV,we found that the sputtering yield of the incident ion is linearly proportional to the energies of incident ions.Low-energy impacts mainly induce surface damage to the nanowires,and only a few bulk defects were observed.Surface vacancies and adatoms accumulated to form defect clusters on the surface,and their distribution are related to the type of crystal plane,e.g.surface vacancies prefer to stay on(100) plane,while adatoms prefer(110) plane.These results reveal that the size effect will influence the interaction between low-energy ion and nanowire.     

Effect of Incident Intensity on Films Growth in Pulsed Laser Deposition

Incident intensity, defined by the amount of particles deposited per pulse, is an important parameter in the film growth process of pulsed laser deposition （PLD）. Different from previous models, we investigate the irreversible and reversible growth processes by using a kinetic Monte Carlo method and find that island density and film morphology strongly depend on pulse intensity. At higher pulse intensities, lots of adatoms instantaneously diffuse on the substrate surface, and then nucleation easily occurs between the moving adatoms resulting in more smaller-size islands. In contrast, at the lower pulse intensities, nucleation event occurs preferentially between the single adatom and existing islands rather than forming new islands, and therefore the average island size becomes larger in this case. Additionally, our results show that substrate temperature plays an important role in film growth. In particular, it can determine the films shape and weaken the effect of pulse intensity on film growth at the lower temperatures by controlling the mobility rate of atoms. Our results can match the related theoretical and experimental results.     

薄膜生长的理论模型与Monte Carlo模拟

用Monte Carlo方法模拟了薄膜的二维生长.引入Morse作用势描述粒子间的相互作用情况,研究了相互作用范围α对薄膜生长初期形貌的影响.薄膜的生长经历了由临界核的形成、团的长大、形成迷津结构到连续成膜4个阶段.模拟结果表明,随着沉积粒子数的增加,成团粒子所占百分比下降.这与实际情况相符. 关键词： 薄膜生长 Monte Carlo方法 Morse势     

Atomic-level investigation of Al and Ni thin film growth on Ni(1 1 1) surface: Molecular dynamics simulation

Using molecular dynamics (MD) simulation, the structural characteristics of Al and Ni thin film growth on Ni(1 1 1) substrate according to the incident energy of adatoms were investigated. In case of Al on Ni(1 1 1), Al adatoms were grown basically through the layer-by-layer growth mode. On the other hand, Ni thin films on Ni(1 1 1) surface at low incident energy were shown to favor island growth. The steering effect due to atomic attraction, which results in rougher surface, was significantly observed at low incident energy. The growth mode of Ni film was, however, changed to follow layer-by-layer growth mode for the incident energy of 6 eV. The different aspects of surface morphology between Al and Ni deposition on Ni(1 1 1) surface could be successfully explained by the surface diffusion and impact cascade diffusion.     

Submonolayer growth with anomalously high island density in hyperthermal deposition

We present a rate equation model for submonolayer island growth under conditions where hyperthermal deposition techniques such as low-energy ion deposition are employed to achieve smooth layer-by-layer growth. By asymptotic analysis, we demonstrate that the model exhibits stationary behavior with well-defined dynamic and growth exponents beta and chi, respectively, in the limit of small and high detachment rates. We verify these predictions by using the particle coalescence simulation method. The simulations reveal the existence of a relatively sharp transition regime with an increasing detachment rate of adatoms from high values of the growth exponent beta approximately 1 to much smaller values of beta determined by detachment and island diffusion processes. Our numerical results for the island size distribution indicate an anomalously high number of small islands, in agreement with available experimental data.     

质量分离低能离子束沉积碳膜及离子轰击效应

用质量分离的低能离子束沉积技术得到了非晶碳薄膜,X射线衍射、Raman谱以及俄歇深度谱的线形表明,此种非晶碳膜中镶嵌着金刚石颗粒.碳离子的浅注入是该碳膜SP³形成的主要机理.从一个侧面说明了化学气相沉积法中偏压预处理增加金刚石成核的主要原因是因为离子轰击效应. 关键词： 非晶碳 离子轰击 质量分离低能离子束     

Migration characterization of Ga and In adatoms on dielectric surface in selective MOVPE

Migration characterizations of Ga and In adatoms on the dielectric surface in selective metal organic vapor phase epitaxy(MOVPE) were investigated. In the typical MOVPE environment, the selectivity of growth is preserved for Ga N,and the growth rate of Ga N micro-pyramids is sensitive to the period of the patterned SiO2 mask. A surface migration induced model was adopted to figure out the effective migration length of Ga adatoms on the dielectric surface. Different from the growth of Ga N, the selective area growth of In Ga N on the patterned template would induce the deposition of In Ga N polycrystalline particles on the patterned SiO2 mask with a long period. It was demonstrated with a scanning electron microscope and energy dispersive spectroscopy that the In adatoms exhibit a shorter migration length on the dielectric surface.