工艺参数对CVD ZnS沉积速率的影响

本文报道了CVD法制备ZnS晶体的制备工艺,系统地研究了气体流量、工作气压、基板温度等主要工艺参数对沉积速率的影响规律.实验表明,随着H2S(s)/Zn摩尔流量比的增加,沉积速率逐渐增大;基板温度升高,沉积速率加快;工作气压增大,沉积速率变化不大.在本实验研究的条件下认为,采用合适的H2S(s)/Zn摩尔流量比和沉积温度,在较低的工作气压下生长晶体,能保证较稳定的沉积速率,生长出高质量的晶体.     

三氯氢硅和氢气系统的气相沉积三维模拟

建立了氢气和三氯氢硅系统的多晶硅气相沉积反应模型,通过Chemkin4.0耦合气相反应、表面反应机理,利用流体力学软件Fluent 6.3.26数值求解.根据模拟结果绘制了进气温度、进气组成、沉积表面温度以及反应压力与硅沉积速率的关系曲线,阐述了这些条件对于硅沉积速率的影响,同时把模拟结果与文献中的实验数据和计算结果进行对比.结果表明,硅沉积速率随反应温度和反应压力的提高而提高,随进气温度的提高而提高,当氢气摩尔组成低于0.8时,与氢气物质的量组成成正比,氢气物质的量组成大于0.8时,与氢气摩尔组成成反比.     

硅烷热分解生产多晶硅的三维模拟

本文建立了硅烷和氢气体系中气体动量、热量和质量同时传递,并且耦合硅烷热分解反应的多晶硅气相沉积模型,选择适宜的物理模型和边界条件通过流体力学软件Fluent 6.3.26进行数值模拟.之后模拟了进气组成、反应温度、反应压力及进口速度等因素对沉积特性的影响,得到结论:当进气组成、反应温度和反应压力增大时,硅的沉积速率增大、单位能耗降低;当进气速度增大时,硅的沉积速率和单位能耗均呈增大趋势;在进口区域硅沉积速率随着硅棒延伸增大,在离进口较远的区域,硅沉积速率随着硅棒延伸而减小.     

流态化多晶硅化学气相沉积过程的数值模拟

利用基于欧拉-欧拉两相流模型,建立硅烷热分解的均相和非均相反应模型,模拟了二维流态化的多晶硅化学气相沉积过程,以及硅烷、硅烯和硅沉积速率在反应器中的分布规律.模拟结果表明多晶硅的沉积主要发生在流化床中的密相区及气泡的周围,浓度相对较小的硅烯非均相反应对多晶硅沉积的贡献约为硅烷的10;.分析了硅烷入口浓度和反应温度对硅沉积速率及转化率的影响,模拟的硅沉积速率与文献中的实验数据做了比较.     

多晶硅化学气相沉积过程气相与表面反应模拟验证

针对SiHCl3-H2体系下硅的化学气相沉积过程,采用边界层反应模型和Chemkin模拟软件,耦合不同气相与表面化学反应机理,对不同条件下硅的沉积速率,高温下HCl气体对硅表面的侵蚀速率进行了模拟计算.与文献报道的三组实验数据进行对比,验证现有反应机理的模拟精度,确定一套修正化学反应机理可以较为准确地预测工业级西门子多晶硅还原炉条件下多晶硅的沉积速率.     

衬底温度对nc-Si∶H薄膜微结构和氢键合特征的影响

采用射频等离子体增强型化学气相沉积(RF-PECVD)技术,以H2和SiH4作为反应气体源,在不同的衬底温度下沉积了nc-Si∶H薄膜.采用Raman散射、X射线衍射、红外吸收等技术分析了薄膜的微结构和氢键合特征.结果表明,随衬底温度的升高,nc-Si∶H薄膜的沉积速率不断增大,晶化率和晶粒尺寸增加,纳米硅颗粒呈现出Si(111)晶面的择优生长趋势.键合特性显示,薄膜中的氢含量随衬底温度升高而逐渐减小,薄膜均匀性先增大后减小.     

三氯氢硅和氢气系统中多晶硅化学气相沉积的数值模拟

本文建立了三氯氢硅和氢气系统中混合气体动量、热量和质量同时传递,并且耦合气相反应、表面反应的多晶硅气相沉积模型,利用流体力学计算软件(Computational Fluid Mechanics, CFD)Fluent6.2数值分析了气体进口速率、反应压力、表面温度和气体组成对硅化学气相沉积特性的影响,数值结果表明计算结果与相关实验数据吻合较好.分析表明在一定的条件下,硅沉积速率随温度、压力的升高而增加,在氢气浓度较高的情况下,硅沉积速率随氢气浓度增加而线性地降低.     

电沉积二氧化钛功能薄膜的制备与组织转变研究

采用直流电沉积方法,在石墨板上成功制备了半导体二氧化钛功能薄膜前驱体,分析讨论了电沉积过程中实验参数对TiO2前驱体成膜的影响,获得了制备二氧化钛膜最佳工艺参数.TiO2前驱体沉积速率随着电流密度的增大而增加,为了保证薄膜质量,将电流密度控制在5～45mA/cm2之间;溶液浓度对沉积速率也有影响,当溶液中TiCl4:H2O2=1:2时沉积速率最大;最佳沉积温度为5-10℃.运用差热分析、XRD相结构分析和SEM等手段,研究了该前驱体到锐钛矿相(anatase)和金红石相(rutile)二氧化钛的组织相转变过程,300℃热处理得到锐钛矿相的二氧化钛,650℃热处理后出现金红石相.     

工艺参数对化学气相沉积硫化锌起拱的影响

本文系统研究了沉积温度、压力、Zn/H2S、以及衬底表面粗糙度对起拱的影响.实验表明,适当的提高沉积温度(650 ℃)和降低沉积压力(1.5×104 Pa)有利于抑制沉积起拱;当Zn/H2S<1时起拱减弱,但透过率下降,可在沉积的初期采用低的Zn/H2S抑制起拱;由于表面阴影和钉扎效应,相对粗糙的衬底表面有更好的抑制起拱效果.     

燃焰法沉积高品质透明金刚石薄膜的研究

采用燃焰法在大气环境下以30μm/h的较高速率沉积出了均匀、优质、透明的金刚石薄膜.实验结果表明,较高的V(O2)/V(C2H2)和适中的基体温度是获得高品质金刚石薄膜的基本条件;提高反应气体中氧气浓度,可使沉积高品质透明金刚石薄膜的基体温度范围变宽.     

Modelling of mechanism of agglomeration of KCl crystallization

The article presents an analysis into agglomeration during KCl vacuum crystallization. The theoretical and experimental investigations into the mechanism of agglomeration during mass crystallization result in an extension of the growth phenomena within the known model equations. The basis for this is essentially constituted by the collision model concepts of the theory of floculation in disperse systems. The parameters derived from the microprocess analysis (energy dissipation, content of solids, growth rate of individual grains) lead to model equations which are confirmed by laboratory and test trials.     

Relationship of Morphological Types of Dynamic Forms of Crystals

Crystallography Reports - The relationship of morphological spectra (sets of data on the morphological types of real polyhedral crystals and their probabilities under current physicochemical...     

Velocities of Disappearance and Lifetime of Faces of Growing Crystals

The formulae for absolute R_disap and relative R velocities of disappearance and lifetime τ of faces of growing crystals have been derived for stationary growth. It was shown that the quantities are determined by the relative growth velocity R_A/R_critA of the vanishing face A with respect to the critical growth velocity R_critA and by the geometry of a crystal expressed by the trigonometric functions of interfacial angles β and γ formed between face A and the adjacent faces. R increases and τ decreases with the increase in R_A/R_critA to certain limiting values. The calculations have been verified and illustrated by the experimental results for triclinic potassium bichromate (KBC) crystals. Results enable ones to predict values of velocities of disappearance and lifetimes of undesirable, supplementary faces of any real crystal.     

Development of Pauling's concepts of geometric characteristics of atoms

The evolution of the geometric characteristics introduced by Pauling and their dependence on the specific features of the structure and chemical bonds have been considered. The values of the covalent and van der Waals radii are given as well as their relationships and mutual transitions.     

A review of measurement of thermophysical properties of silicon melt

Measurements of thermophysical properties of Si melt and supplementary study of X-ray scattering/diffraction by the authors' group were reviewed. The values obtained differed variously from those of literature. Density was 2–3% larger, surface tension 20–30% smaller, viscosity up to 40% larger, electrical conductivity 8% smaller, spectral emissivity more or less in good agreement with literature values, and thermal diffusivity a few percent larger. An anomalous density jump was found near the melting point. Surface tension and viscosity also showed anomaly. A strange time-dependent change of density was observed over 3 h after melting. X-ray analyses suggested a slight change in local atom ordering, but showed no sign of cluster formation. An addition of 0.1 at% gallium caused the density jump to disappear, while that of boron caused no change. An EXAFS study of the former melt indicated a strong interaction between Ga and Si atoms as if molecules of GaSi₃ existed. The implications of the measured properties are a possibility of soft-turbulence in an Si melt in a relatively large crucible, a more complicated manner of intake of oxygen depleted molten Si from the free surface region to underneath the growing crystal, and a relaxation of the melt after melting arising from trapped gas species.     

Comparative analysis of two methods of calculation of the orientation of domain walls in ferroelastics

Two types of domain-wall equations are analyzed: the equations derived by the Sapriel method and the equations obtained by interface matching of the thermal-expansion tensor. It is shown that, for W-type domain walls, these methods yield the same equations. For W′-type domain walls, the equations obtained by different methods coincide for proper ferroelastics and differ for improper ferroelastics.     

Dependence of the parameters of equations of viscous flow on chemical composition of silicate melts

The temperature dependence of viscosity of silicate melts is discussed in the framework of the Avramov–Milchev (AM) equation. The composition is described by means of two parameters: the molar fraction, x, and the “lubricant fraction”, l. The molar fraction is the sum of the molar parts x_i of all oxides dissolved in SiO₂, the molar fraction of the latter being 1 ? x. It is shown that, with sufficient precision, two of the parameters of the AM equation can be presented as unique functions of the molar fraction. On the other hand, x is not sufficient to determine properly the reference temperature T_r , at which viscosity is η_r = 10¹³ [dPa.s]. Therefore, additional parameter, “lubricant fraction” l, is introduced. For each of the components, l_i is a product of molar part x_i and a specific dimensionless coefficient 0 ≤ k_i ≤ 1 accounting for the specific contribution of this component to the increased mobility of the system. It is demonstrated that, for l > 0, the reference temperature is related to the “lubricant fraction” l through the reference temperature T_r,SiO2 of pure SiO₂.     

Generation of crystal structures of heteromolecular compounds by the method of discrete modeling of packings

Within the method of discrete modeling of packings, an algorithm of generation of possible crystal structures of heteromolecular compounds containing two or three molecules in the primitive unit cell, one of which has an arbitrary shape and the other (two others) has a shape close to spherical, is proposed. On the basis of this algorithm, a software package for personal computers is developed. This package has been approved for a number of compounds, investigated previously by X-ray diffraction analysis. The results of generation of structures of five compounds—four organic salts (with one or two spherical anions) and one solvate—are represented.