低能Cl原子刻蚀Si(100)表面的分子动力学模拟

使用分子动力学模拟方法研究了不同能量(0.3—10 eV)的Cl原子对表面温度为300 K的Si(100)表面的刻蚀过程.模拟中采用了Tersoff-Brenner势能函数来描述Cl-Si体系的相互作用.模拟结果显示,随着入射Cl原子在表面的吸附达到饱和,Si表面形成一层富Cl反应层.这和实验结果是一致的.反应层厚度随入射能量增加而增加.反应层中主要化合物类型为SiCl,且主要分布于反应层底部.模拟结果发现随初始入射能量的增加,Si的刻蚀率增大.在入射能量为0.3,1和5 eV时,主要的Si刻蚀产物为Si 关键词： 分子动力学 Cl刻蚀Si 分子动力学模拟 微电子机械系统     

F原子与SiC(100)表面相互作用的分子动力学模拟

本文采用分子动力学模拟方法研究了F原子(能量在0.5—15 eV之间)与表面温度为300 K的SiC(100)表面的相互作用过程. 考察了不同能量下稳定含F反应层的形成过程和沉积、刻蚀过程的关系以及稳定含F反应层对刻蚀的影响. 揭示了低能F原子刻蚀SiC的微观动力学过程. 模拟结果表明伴随着入射F原子在表面的沉积量达到饱和,SiC表面将形成一个稳定的含F反应层. 在入射能量小于6 eV时,反应层主要成分为SiF₃,最表层为Si-F层. 入射能量大于6 eV时,反应层主要成分为SiF. 关键词： 分子动力学 刻蚀 能量 SiC     

样品温度对CF3+ 与Si表面相互作用影响的分子动力学模拟

利用分子动力学模拟方法研究了不同温度下CF_x层对CF⁺₃刻蚀Si表面过程的影响.由模拟数据可知,温度对C和F的沉积有显著的影响,通过提高样品的温度,物理刻蚀得到了加强,而化学刻蚀被减弱.同时,随着温度的升高,Si的刻蚀率相应增加.刻蚀产物中的SiF,SiF₂的量随温度的增加而增加,SiF₃的量与基体温度没有直接的关系.Si刻蚀率的增加主要是通过提高SiF,SiF_{2相似文献}   

入射能量对H2+与SiC表面相互作用影响的分子动力学模拟

用分子动力学方法研究了入射能量对 H2+与 SiC 样品表面相互作用的影响.模拟结果表明,在 H2+轰击 SiC 样品表面的初始阶段,样品中 H 原子的滞留量增加较快,其后,增加的速率减慢,并逐渐趋于饱和.入射能量越大,样品中 H 原子的滞留量也就越大.样品在 H2+的轰击下,样品 Si、C 原子会发生刻蚀.入射能量越...     

分子动力学模拟H原子与Si的表面相互作用

通过分子动力学模拟了入射能量对H原子与晶Si表面相互作用的影响. 通过模拟数据与实验数据的比较, 得到H原子吸附率随入射量的增加 呈先增加后趋于平衡的趋势. 沉积的H原子在Si表面形成一层氢化非晶硅薄膜, 刻蚀产物(H₂, SiH₂, SiH₃和SiH₄)对H原子吸附率趋于平衡有重要影响, 并且也决定了样品的表面粗糙度. 当入射能量为1 eV时, 样品表面粗糙度最小. 随着入射能量的增加, 氢化非晶硅薄膜中各成分(SiH, SiH₂, SiH₃)的量以及分布均有所变化. 关键词： 分子动力学 吸附率 表面粗糙度 氢化非晶硅薄膜     

低能Pt原子与Pt(111)表面相互作用的分子动力学模拟

利用分子动力学模拟方法详细研究了低能Pt原子与Pt(111)表面的相互作用所导致的表面吸附原子、溅射原子、表面空位的产生及分布规律,给出了表面吸附原子产额、溅射原子产额和表面空位产额随入射Pt原子能量的变化关系.模拟结果显示:溅射产额、表面吸附原子产额和表面空位产额随入射原子的能量的增加而增加,溅射原子、表面吸附原子的分布花样呈3度旋转对称性质;当入射粒子能量高于溅射阈值时,表面吸附原子主要是基体最表面原子的贡献,入射粒子直接成为表面吸附原子的概率很小.其主要原因是:当入射粒子能量高于溅射能量阈值时,入射 关键词： 分子动力学 低能粒子 表面原子产额 空位缺陷 溅射     

非晶熔石英表面等离子体刻蚀过程 中的表面晶化研究

本工作采用电子回旋共振(ECR)低压等离子体刻蚀技术, 刻蚀非晶熔石英表面. Ar/CF₄为反应气体刻蚀后再经O等离子体钝化, 非晶熔石英表面出现晶化现象. 晶化层约几百纳米厚. Ar/CF₄在ECR的电磁场作用下产生F离子与C离子, F离子使熔石英表面的Si-O共价键断裂, 并释放出O离子. C离子与O离子迅速键合生成CO₂, 而被断键的Si原子与四个F原子键合生成气态SiF₄. 熔石英原始表面被去除的同时, 在新的表面留下大量不饱和Si原子. 不饱和Si原子在高温条件下被O等离子钝化, 形成结晶态α 方石英.     

结合实际刻蚀数据的离子刻蚀产额优化建模方法

刻蚀表面仿真是研究等离子体刻蚀工艺过程机理的重要手段.在刻蚀表面仿真方法中,刻蚀表面演化模型和离子刻蚀产额模型直接决定了刻蚀表面演化结果.但现有的刻蚀表面演化模型不够精确,且目前离子刻蚀产额模型主要来自分子动力学仿真和物理实验,而实际加工过程十分复杂,等效的离子刻蚀产额包含很多因素.针对这些问题,首先对当前的刻蚀表面演化模型进行改进,同时重新定义了离子刻蚀产额模型的优化目标,并利用实际刻蚀加工数据来优化离子刻蚀产额模型.为缩短优化模型所用时间,采用并行方法来加速优化过程.最后,将得到的离子刻蚀产额模型参数应用于采用元胞自动机法的刻蚀工艺实际仿真过程中.实验结果表明,该优化建模方法确实提高了仿真的精确度,同时优化过程所用时间也大大减少.     

单空位缺陷对载能氢原子与石墨层间碰撞的能量交换的影响的分子动力学研究

本文采用分子动力学方法研究空位缺陷对石墨层中碳氢粒子碰撞的影响.将氢原子以不同能量分别向单空位缺陷边缘的两个碳原子轰击,分析了入射氢原子的能量损失、发生吸附反应的能量范围和靶原子的能量传递过程.研究发现,单空位缺陷边缘的碳氢粒子更易发生吸附反应;在碳氢粒子正碰过程中,氢原子随入射能量变化出现了双反射区域;碳氢粒子在空位缺陷边缘吸附后,形成了高结合能的sp²结构,并出现悬挂键,其临近的碳碳键能未降低;单空位缺陷边缘的碳原子吸附氢原子能量的能力强而传递能量的能力弱.这些结果对理解聚变反应 关键词： 面向等离子体材料 分子动力学方法 单空位缺陷     

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利用分子动力学方法研究了H原子与C/Be样品的相互作用过程,当H原子轰击C/Be样品时,发现有一些H原子渗入样品中并且滞留在样品中,H原子的滞留率随H原子的初始入射能量的升高呈线性增长,有些沉积在样品中H原子与C原子相互作用形成H-C键。溅射产物以H原子和H2分子为主。H和H2的产额率随初始入射能量的变化趋势相反,分析了不同机制下产物H和H2的产额率随初始入射能量的关系,且通过分析H原子的入射能量和样品的原子密度的关系来研究轰击后的样品,发现样品中原子分布变化很小,同时分析了化合物中的化学键分布变化较小,只是其化学键的分布峰向样品表面移动。     

Energy transport in plasma etching of nanoporous dielectric materials

A Monte Carlo routine was developed to simulate the motion and energetics of ions in the pores of a xerogel material under plasma etching conditions. The simulation included the effects of an applied electric field and input conditions for the pore as a function of pressure and applied voltage in the plasma reactor. We were interested in the ion energy in a pore, the ion penetration depth and the effect of ion energy on etching.At low pressures the nanoporous material etches faster than dense silicon dioxide. This is to be expected given the decrease in density and increase in surface area that arises due to the porosity. However, as the pressure is increased, the etch rate decreases dramatically and, eventually, the dense oxide may etch faster than the porous material. CHF₃ was used as the etchant gas and, for this gas, we believe this behavior to be controlled by the ion energy and energy transport in the pores of the xerogel material. As the pressure in the plasma reactor is increased, the incoming ions switch over from etching activation to polymerisation activation. This agrees with the observed crossover in etch rate seen experimentally and with the cessation in etching as pressure is increased. The switch is affected by pore roughness and correlates with the average ion energy in the pore.     

微透镜阵列反应离子束蚀刻传递研究

提出了一种微透镜阵列复制的新方法－反应离子束蚀刻法（ＲＩＢＥ）它在工作原理和参数控制等方面较传统的蚀刻方法有很大的先进性，能够实现蚀刻过程的精确控制，本文详细阐述了反应离子蚀刻过程中的蚀刻选择性的控制方法，通过对各种蚀刻参数的控制，最终实现了微透镜阵列在硅等红外材料上面形传递的深度蚀刻，口径φ１００μｍ的Ｆ／２微透镜阵列在硅基底上的传递精度达１：１．０３，无侧向钻蚀。     

Imprint lithography of pyramidal photonic pillars using hydrazine etching

An inexpensive method to produce a pyramidal-type 2D photonic structures in the silicon substrate was proposed. The method is based on the combination of imprint lithography and wet Si1 0 0 etching in water solution of hydrazine, which etches 1 1 1 faces much more slowly than others. Thermally grown SiO₂ mask for the hydrazine etching was used, because single Al mask cannot be well bonded to the substrate and tends to peel during the etching. It was revealed that transmittance in the infrared spectrum region of the patterned silicon decreases by about five times compared with that of flat silicon substrate and this decrease is almost independent of the angle of the incident beam. In the infrared region, decrease of transmittance of the patterned samples is directly proportional to the wave number. The shape of formed pyramids has strong influence on the transmittance. Decrease of the transmittance is much more rapid and larger in the case of sharpless pillars.     

Etching of SiC by energetic F2: Molecular dynamics simulation

Molecular dynamics (MD) simulations were performed to investigate F₂ continuously bombarding silicon carbide (SiC) surfaces with energies in the range of 50-200 eV at normal incidence and room temperature. The Tersoff-Brenner form potential was used. The simulation results show that the uptake of F atoms, the etch yields of C and Si from the initial substrate, and the surface structure profile are sensitive to the incident energy. Like occurrence in Si etching, steady-state etching is observed and an F-containing reaction layer is formed through which Si and C atoms are removed. A carbon-rich surface layer after bombarding by F₂ is observed which is in good agreement with experiments. In the reaction layer, SiF in SiF₂ species are dominant; with increasing incident energy, the total fraction of SiF and SiF₂ increases, while the amount of SiF₃ and SiF₄ decreases. Finally, etching mechanisms are discussed.     

基于三维元胞模型的刻蚀工艺表面演化方法

为了更好地理解和认识刻蚀机理, 并为制造工艺提供优化指导, 采用三维元胞模型研究了刻蚀工艺的表面演化过程, 并着重探讨了离子对表面演化过程的影响.针对刻蚀离子入射角度的求解问题, 提出了一种降维分量拟合方法, 将一个三维曲面拟合问题转化为两个二维曲线拟合进行求解, 对入射点的表面法向量计算实现了快速求解, 与采用最小二乘多项式曲面拟合求解离子入射角度相比, 其计算精度和效率都有较大的提高; 对用于拟合计算的表面元胞的选取方法进行了改进, 提高了拟合的准确度.将这种方法应用到硅刻蚀工艺三维仿真中, 其模拟结果与相关实验结果对比, 验证了该方法对刻蚀工艺描述的有效性. 关键词： 刻蚀 三维元胞模型 表面演化算法 降维分量拟合     

Antireflective properties of disordered Si SWSs with hydrophobic surface by thermally dewetted Pt nanomask patterns for Si-based solar cells

We have theoretically and experimentally investigated the antireflective properties of the disordered subwavelength structures (SWSs) with a hydrophobic surface on silicon (Si) substrates by an inductively coupled plasma (ICP) etching in SiCl₄/Ar plasma using thermally dewetted platinum (Pt) nanopatterns as etch masks for Si-based solar cells. The Pt thin films on the SiO₂/Si surface were properly changed into the optimized dot-like nanopatterns via the thermal dewetting by rapid thermal annealing process. The antireflection properties were definitely affected by the etched profile of SWSs which can be controlled by the conditions of etching process. For the tapered Si SWS with a high average height of 724 ± 78 nm, the reflectance was significantly reduced below 5% over a wide wavelength range of 350-1030 nm, leading to a relatively low solar weighted reflectance of 2.6%. The structure exhibited reflectances less than 14.8% at wide incident angles of 8-70°. The hydrophobic surface with a water contact angle of 113.2° was obtained. For Si SWSs, the antireflective properties were also analyzed by the rigorous coupled-wave analysis simulation. These calculated results showed similar behavior to the experimental results.