钼酸钆晶体的高温喇曼光谱

对提拉法生长的钼酸钆晶体进行了从常温(25℃)到高温(1127℃)的喇曼光谱测试和分析,由实验得出:随着温度的不断升高,晶体的喇曼谱峰向低频移动(159℃相变点除外),且总的趋势是向一起靠拢,位置相近的谱峰合并或趋于合并,这说明随着温度的升高晶体结构不断变化-晶体中三种MoO4四面体的结构逐渐趋于一致.用经验关系式υ(cm-1)=32895exp(-2.073r),由实验测得的晶体在不同温度下的喇曼伸缩振动频率值估算了相应温度下晶体中MoO4四面体的Mo-O键的键长值,明显看出,随着温度的升高,各不同的四面体的键长值趋于一致,从而定量估算出晶体结构随温度的变化情况.     

近化学计量组分掺铒铌酸锂的制备及性能测试

通过气相输运平衡技术,严格控制生长条件和气氛,制备了化学组分均匀、光学质量优异的近化学计量组分Er:LiNbO3晶体.通过对吸收边、喇曼谱及红外OH-吸收谱的测量,发现吸收边"蓝移";OH-吸收带显著减弱;Er:LiNbO3晶体中的E模(152cm-1)和A1模(632cm-1)的线宽也明显变窄.这些特征都证实了得到的Er:LiNbO3晶体已接近于化学计量组分,经过计算,其Li+含量达到49.7mol;.     

实时测量熔体法生长晶体固/液边界层结构的高温热台

根据水平区熔法晶体生长的原理,设计制作了激光显微喇曼高温热台;针对不同晶体,采用不同的加热装置,构成相应的温度场,并对其三维方向的温度场进行了测量.在工作温度为1500K时,控制精度为±0.1K.用该高温热台和激光显微喇曼光谱仪对接,对TeO2和BSO晶体在熔点温度下固液界面的激光显微喇曼光谱进行了实时测量.     

近化学计量比LiNbO3晶体的生长及其组分测定

铌酸锂晶体（LiNbO3)是一种典型的非化学计量比晶体,通常所使用的同成分LiNbO3晶体中的锂铌比([Li]/[Nb])约为48．6／51．4。我们利用提拉法,从掺入11mol%K2O的同成分LiNbO3熔体中生长出了高光学质量的近化学计量比LiNbO3单晶。与同成分LiNbO3晶体相比,其吸收边向短波方向移动;E模（153cm^-1)喇曼谱线宽从9．4cm^-1降低到了7．0cm^-1,A1模（876cm^-1)喇曼谱线宽从25．5cm^-1降低到了20．0cm^-1;产生532nm-1064nm2次谐波的相匹配温度从室温增加到了155．5℃;OH^-红外吸收谱线宽明显变窄,波形也有明显的变化。这些结果表明这种LiNbO3晶体中的LiO2含量为49．6mol%, 即[Li]/[Nb]为0．984,接近其化学计量比。     

气压对VHF-PECVD制备的μc-Si:H 薄膜特性影响的研究

本文主要研究了用VHF-PECVD方法制备的不同工作气压的微晶硅薄膜样品.结果表明:沉积速率随反应气压的增大而逐渐增大;光敏性(光电导/暗电导)和激活能测试结果给出了相同的变化规律;傅立叶红外测试、X射线衍射和室温微区喇曼谱的结果都表明了样品的晶化特性;通过工艺的具体优化得出了器件级的微晶硅材料.     

晶体生长溶液、熔体结构与生长基元

根据喇曼光谱、红外光谱测试了晶体生长的水溶液、溶剂和熔体的结构,并且在水热条件下进行了外加直流电场的实验,证实了晶体生长基元为负离子配位多面体,在不同的温度和溶液浓度条件下,负离子配位多面体相互联结成不同结构形式和不同维度的生长基元(聚集体),不同维度的生长基元往晶体各个面族上的叠合速率是各不相同的,表现在同一种晶体在不同的生长条件下,其结晶形态可以各不相同,由此进一步阐述了负离子配位多面体生长基元理论模型的合理性.     

气压对VHF-PECVD制备的μc-Si∶H薄膜特性影响的研究

本文主要研究了用VHF PECVD方法制备的不同工作气压的微晶硅薄膜样品。结果表明 :沉积速率随反应气压的增大而逐渐增大 ;光敏性 (光电导 /暗电导 )和激活能测试结果给出了相同的变化规律 ;傅立叶红外测试、X射线衍射和室温微区喇曼谱的结果都表明了样品的晶化特性 ;通过工艺的具体优化得出了器件级的微晶硅材料     

硼和氮掺杂金刚石单晶的合成与Raman光谱研究

氮(N)元素和硼(B)元素为金刚石晶体中常见的两种杂质元素,它们对金刚石的物理化学性质有着重要的影响.本文使用高温高压温度梯度法合成了分别含有氮和硼杂质的金刚石单晶,并使用Raman光谱对晶体进行分析研究.研究发现:随着金刚石生长体系内杂质的引入,晶体的质量变差;当生长体系含有氮杂质时,生长的含氮金刚石晶体的特征峰谱线向低波数偏移,晶体的应力表现为拉应力;当生长体系含有硼杂质时,生长的含氮金刚石晶体的特征峰谱线向高波数偏移,晶体的应力表现为压应力.本研究将有助于丰富金刚石单晶掺杂的认识.     

NaY(WO4)2∶Sm3+晶体的生长与上转换发光

用Czochralski 法生长了高光学质量、大尺寸的NaY(WO4)2∶Sm3+单晶.测量了晶体在室温下的吸收谱,对跃迁的能级进行了指认.在946nm泵浦下测量了晶体的上转换荧光发射谱.研究了NYW晶体中Sm3+上转换发光的机制.     

MMTN晶体与MMTWD晶体的晶格振动及热导率的拉曼光谱研究

采用拉曼光谱技术测量了MMTN(MnHg(SCN)4(C2H5NO)2)和MMTWD(MnHg (SCN)4(H2O)2(C3H7NO)2)两类金属有机配合物晶体的拉曼光谱,并对其晶格振动特征峰进行了指认.依据晶格动力学理论以及声子散射模型,推导了晶体热导率与声子寿命及拉曼谱线半峰宽的关系,计算了晶体的热导率,讨论了该类晶体激光损伤的物理机制.     

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.     

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.     

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.     

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.     

Luminescence of crystals of divalent tungstates

Crystals of divalent tungstates are characterized by two main luminescence spectral ranges: a short-wavelength (blue) luminescence band in the range 390–420 nm and a group (often two groups) of longer wavelength (green) bands in the range 480–520 nm. For crystals of calcium, strontium, barium, cadmium, magnesium, zinc, and lead tungstates, it is shown that the wavelength corresponding to the maximum of the blue luminescence band (λ_max) correlates with the melting temperature (T_m) of these compounds. The position of the blue luminescence band is the same (in the range 510–530 nm) for crystals with different divalent cations. Annealing in vacuum and electron irradiation decrease the intensity of both blue and green luminescence bands but do not change the ratio of their maximum intensities. This circumstance suggests that vacancies serve as luminescence quenchers to a greater extent rather than facilitate the formation of emission centers responsible for a particular luminescence band.